| 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 | 35.8 | Very low | 42.9 | Very low | 233 Ų | 233 | 139.5 Ų | 139.5 | 100% | 1.148 | 82% | 0.822 | S | S | * | * | 0 | 90.6 | 0 | -56 | 177.7 | 101.1 | 0 | 0 | 105.5 | |||||
| 2 | S | 35.3 | Very low | 42.2 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | 76.8 | 128.1 | 66 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3 | T | 42.3 | Very low | 41.7 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | cis | -162.9 | 147.7 | 2.7 | 1.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 4 | S | 42.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -64 | 169.8 | 156.7 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | P | 61.5 | Low | 41.1 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | cis | -156.8 | -169.1 | 33.6 | 45.7 | -23.4 | 0 | 0 | 0 | 119.9 | ||||
| 6 | R | 35.3 | Very low | 40.7 | Very low | 239 Ų | 239 | 139.1 Ų | 139.1 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | 104.8 | 100.3 | 144.5 | -89.7 | -175.9 | 178.1 | -146.6 | -2 | 121.2 | ||||
| 7 | C | 33.8 | Very low | 40.4 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -75.8 | -170.3 | 146.6 | -44.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | P | 53.7 | Low | 40 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | cis | -137.3 | -167 | 6.2 | 42.2 | -21.2 | 0 | 0 | 0 | 116.4 | ||||
| 9 | S | 40.9 | Very low | 40.3 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | -86.1 | -173 | -179.1 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 10 | P | 52.4 | Low | 40 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | -148 | 170.2 | 92.7 | 40.9 | -24.4 | 0 | 0 | 0 | 117.8 | |||||
| 11 | T | 38.6 | Very low | 39.8 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 83% | 0.831 | S | S | * | * | trans | -11.6 | 158.4 | 157.7 | 57 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 12 | G | 34.7 | Very low | 40.2 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | cis | 124.7 | 122.3 | 7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 13 | C | 35 | Very low | 40.7 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 91% | 0.912 | 82% | 0.823 | S | S | * | * | trans | -153.3 | 122.5 | 178.6 | -96.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 14 | D | 34.8 | Very low | 41.1 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -102.1 | 148.5 | 173.6 | -94.1 | -68.1 | 0 | 0 | 0 | 112.4 | ||||
| 15 | V | 40.2 | Very low | 42 | Very low | 141 Ų | 141 | 138 Ų | 138 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -137.5 | 136.2 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 16 | L | 35.2 | Very low | 41.8 | Very low | 176 Ų | 176 | 141 Ų | 141 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -65.8 | 147.3 | -166.8 | -63.5 | 160.6 | 0 | 0 | 0 | 114.7 | ||||
| 17 | R | 35.8 | Very low | 42.8 | Very low | 240 Ų | 240 | 137.8 Ų | 137.8 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -113.3 | 132.2 | 171.6 | 176.7 | 172.6 | -72.9 | -179.5 | -1.8 | 110.9 | ||||
| 18 | A | 33 | Very low | 44 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 149.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 19 | P | 45.7 | Very low | 44.1 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 143.7 | 178.1 | 31.5 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 20 | G | 34.2 | Very low | 45 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 160.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E22 | G20-E22 PolarHBondContact O-N 3.25Š|
| 21 | V | 35 | Very low | 45.5 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 87% | 0.873 | 74% | 0.736 | S | S | * | * | trans | -92.1 | 100.7 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 22 | E | 45.8 | Very low | 46.6 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | -75.7 | 144.7 | 173.7 | -62.9 | -166 | 141.7 | 0 | 0 | 112.2 | G20 | G20-E22 PolarHBondContact O-N 3.25Š| ||
| 23 | K | 43.9 | Very low | 47.6 | Very low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | -103.1 | 91.2 | 179.3 | -68.3 | 178.7 | -179 | 173.6 | 0 | 110.3 | ||||
| 24 | K | 50.7 | Low | 48.5 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 53% | 0.526 | 69% | 0.69 | S | S | . | * | trans | -49 | 141 | 166.6 | -86.7 | -174 | 169.8 | -179 | 0 | 110.9 | E32 | K24-E32 IonicContact NZ-OE1 2.64Å; K24-E32 IonicContact NZ-OE2 2.62Å; K24-E32 PolarHBondContact NZ-OE2 2.87Å | ||
| 25 | T | 62.3 | Low | 49.5 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 49% | 0.485 | 67% | 0.673 | S | S | . | * | trans | -87 | 157.6 | -179.4 | 68 | 0 | 0 | 0 | 0 | 111.9 | K27 E28 N29 | T25-K27 PolarHBondContact O-N 3.21Å; T25-E28 WeakPolarHBondContact CB-OE2 3.25Å; T25-E28 PolarHBondContact N-OE2 2.77Å; T25-E28 PolarHBondContact O-N 2.88Å; T25-E28 VanDerWaalsContact O-N 3.08Å; T25-E28 PolarHBondContact OG1-OE2 2.78Å; T25-N29 PolarHBondContact O-N 3.42Å | ||
| 26 | E | 57 | Low | 50.2 | Low | 177 Ų | 177 | 125.7 Ų | 125.7 | 83% | 0.827 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59.9 | -23 | -176.9 | -63 | -174.8 | 136.2 | 0 | 0 | 114 | F30 | E26-F30 PolarHBondContact O-N 3.45Å |
| 27 | K | 56.6 | Low | 51.2 | Low | 171 Ų | 171 | 119.5 Ų | 119.5 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.9 | -38.7 | 176.2 | -71.4 | -175.6 | 176.5 | -179.7 | 0 | 112.7 | T25 F30 I31 | T25-K27 PolarHBondContact O-N 3.21Å; K27-F30 PolarHBondContact O-N 2.98Å; K27-I31 WeakPolarHBondContact O-CG1 3.14Å; K27-I31 PolarHBondContact O-N 3.22Å |
| 28 | E | 59.2 | Low | 52.4 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 41% | 0.407 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.3 | -43.9 | 178.7 | -66.2 | 159.3 | 112 | 0 | 0 | 110 | T25 F30 I31 E32 | T25-E28 WeakPolarHBondContact CB-OE2 3.25Å; T25-E28 PolarHBondContact N-OE2 2.77Å; T25-E28 PolarHBondContact O-N 2.88Å; T25-E28 VanDerWaalsContact O-N 3.08Å; T25-E28 PolarHBondContact OG1-OE2 2.78Å; E28-F30 PolarHBondContact O-N 3.16Å; E28-I31 PolarHBondContact O-N 3.17Å; E28-I31 VanDerWaalsContact O-N 3.12Å; E28-E32 WeakPolarHBondContact O-CB 3.31Å; E28-E32 PolarHBondContact O-N 3.5Å |
| 29 | N | 55.6 | Low | 53.9 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 34% | 0.342 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.1 | -31.7 | 174.1 | -64.4 | -32.1 | 0 | 0 | 0 | 112.8 | T25 M33 | T25-N29 PolarHBondContact O-N 3.42Å; N29-M33 HydrophobicContact CB-CE 4.38Å; N29-M33 WeakPolarHBondContact O-CB 3.29Å; N29-M33 WeakPolarHBondContact O-CG 3.4Å; N29-M33 PolarHBondContact O-N 2.92Å; N29-M33 VanDerWaalsContact O-N 3.08Å |
| 30 | F | 58.6 | Low | 55.2 | Low | 156 Ų | 156 | 111.4 Ų | 111.4 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75 | -36.5 | 177 | -169.4 | -95.1 | 0 | 0 | 0 | 112.8 | E26 K27 E28 M33 A34 | E26-F30 PolarHBondContact O-N 3.45Å; K27-F30 PolarHBondContact O-N 2.98Å; E28-F30 PolarHBondContact O-N 3.16Å; F30-M33 PolarHBondContact O-N 3.4Å; F30-A34 PolarHBondContact O-N 3.42Å |
| 31 | I | 63 | Low | 57.1 | Low | 94 Ų | 94 | 115.3 Ų | 115.3 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -45.4 | 174.1 | -64.7 | 167.1 | 0 | 0 | 0 | 109.7 | K27 E28 M33 A34 E35 | K27-I31 WeakPolarHBondContact O-CG1 3.14Å; K27-I31 PolarHBondContact O-N 3.22Å; E28-I31 PolarHBondContact O-N 3.17Å; E28-I31 VanDerWaalsContact O-N 3.12Å; I31-M33 VanDerWaalsContact C-N 3.27Å; I31-M33 PolarHBondContact O-N 2.8Å; I31-A34 WeakPolarHBondContact O-CA 3.45Å; I31-A34 WeakPolarHBondContact O-CB 3.46Å; I31-A34 PolarHBondContact O-N 2.9Å; I31-E35 HydrophobicContact CG2-CG 4.46Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.23Å; I31-E35 PolarHBondContact O-N 3.39Å |
| 32 | E | 62.1 | Low | 59.3 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 48% | 0.477 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.5 | -34.9 | 176.6 | -160.2 | 170.8 | 142.9 | 0 | 0 | 112 | K24 E28 S36 | K24-E32 IonicContact NZ-OE1 2.64Å; K24-E32 IonicContact NZ-OE2 2.62Å; K24-E32 PolarHBondContact NZ-OE2 2.87Å; E28-E32 WeakPolarHBondContact O-CB 3.31Å; E28-E32 PolarHBondContact O-N 3.5Å; E32-S36 WeakPolarHBondContact O-CB 3.38Å; E32-S36 PolarHBondContact O-N 3.22Å; E32-S36 PolarHBondContact O-OG 2.88Å |
| 33 | M | 56.1 | Low | 60.9 | Low | 125 Ų | 125 | 105.8 Ų | 105.8 | 62% | 0.616 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71 | -30.5 | 170.2 | -78.5 | -173.2 | -124.8 | 0 | 0 | 114.1 | N29 F30 I31 S36 A37 | N29-M33 HydrophobicContact CB-CE 4.38Å; N29-M33 WeakPolarHBondContact O-CB 3.29Å; N29-M33 WeakPolarHBondContact O-CG 3.4Å; N29-M33 PolarHBondContact O-N 2.92Å; N29-M33 VanDerWaalsContact O-N 3.08Å; F30-M33 PolarHBondContact O-N 3.4Å; I31-M33 VanDerWaalsContact C-N 3.27Å; I31-M33 PolarHBondContact O-N 2.8Å; M33-S36 WeakPolarHBondContact CA-OG 3.38Å; M33-S36 PolarHBondContact O-OG 2.83Å; M33-A37 VanDerWaalsContact O-CB 3.27Å; M33-A37 WeakPolarHBondContact O-CB 3.27Å; M33-A37 PolarHBondContact O-N 3.33Å |
| 34 | A | 54.2 | Low | 62.5 | Low | 48 Ų | 48 | 105 Ų | 105 | 40% | 0.397 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.2 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F30 I31 A37 T38 | F30-A34 PolarHBondContact O-N 3.42Å; I31-A34 WeakPolarHBondContact O-CA 3.45Å; I31-A34 WeakPolarHBondContact O-CB 3.46Å; I31-A34 PolarHBondContact O-N 2.9Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 2.97Å; A34-T38 PolarHBondContact O-N 3.47Å |
| 35 | E | 54.8 | Low | 64 | Low | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.6 | -37.1 | -180 | -68.3 | 175.2 | -180 | 0 | 0 | 112.5 | I31 A37 T38 T39 | I31-E35 HydrophobicContact CG2-CG 4.46Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.23Å; I31-E35 PolarHBondContact O-N 3.39Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 2.91Å; E35-T38 WeakPolarHBondContact CA-OG1 3.31Å; E35-T38 PolarHBondContact O-N 3.36Å; E35-T38 PolarHBondContact O-OG1 2.65Å; E35-T39 WeakPolarHBondContact O-CG2 3.29Å; E35-T39 PolarHBondContact O-N 2.75Å; E35-T39 PolarHBondContact O-OG1 2.98Å |
| 36 | S | 55.7 | Low | 65.1 | Low | 65 Ų | 65 | 104.8 Ų | 104.8 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.9 | -30.1 | 169 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | E32 M33 T39 L40 | E32-S36 WeakPolarHBondContact O-CB 3.38Å; E32-S36 PolarHBondContact O-N 3.22Å; E32-S36 PolarHBondContact O-OG 2.88Å; M33-S36 WeakPolarHBondContact CA-OG 3.38Å; M33-S36 PolarHBondContact O-OG 2.83Å; S36-T39 VanDerWaalsContact CA-OG1 3.32Å; S36-T39 WeakPolarHBondContact CA-OG1 3.13Å; S36-T39 PolarHBondContact O-OG1 3.18Å; S36-L40 VanDerWaalsContact O-CB 3.23Å; S36-L40 WeakPolarHBondContact O-CB 3.4Å; S36-L40 PolarHBondContact O-N 3.27Å |
| 37 | A | 57.2 | Low | 66.3 | Low | 45 Ų | 45 | 102 Ų | 102 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.8 | -28.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M33 A34 E35 K41 | M33-A37 VanDerWaalsContact O-CB 3.27Å; M33-A37 WeakPolarHBondContact O-CB 3.27Å; M33-A37 PolarHBondContact O-N 3.33Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 2.97Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 2.91Å; A37-K41 WeakPolarHBondContact O-CG 3.13Å; A37-K41 PolarHBondContact O-N 3.32Å |
| 38 | T | 59.3 | Low | 67.8 | Low | 90 Ų | 90 | 96.1 Ų | 96.1 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78 | -44.3 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | A34 E35 L40 K41 G42 | A34-T38 PolarHBondContact O-N 3.47Å; E35-T38 WeakPolarHBondContact CA-OG1 3.31Å; E35-T38 PolarHBondContact O-N 3.36Å; E35-T38 PolarHBondContact O-OG1 2.65Å; T38-L40 PolarHBondContact O-N 3.3Å; T38-K41 WeakPolarHBondContact O-CB 3.31Å; T38-K41 PolarHBondContact O-N 3.04Å; T38-K41 VanDerWaalsContact O-N 3.13Å; T38-G42 PolarHBondContact O-N 2.85Å |
| 39 | T | 66.3 | Low | 68.9 | Low | 95 Ų | 95 | 94.8 Ų | 94.8 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 175.1 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | E35 S36 K41 G42 L43 | E35-T39 WeakPolarHBondContact O-CG2 3.29Å; E35-T39 PolarHBondContact O-N 2.75Å; E35-T39 PolarHBondContact O-OG1 2.98Å; S36-T39 VanDerWaalsContact CA-OG1 3.32Å; S36-T39 WeakPolarHBondContact CA-OG1 3.13Å; S36-T39 PolarHBondContact O-OG1 3.18Å; T39-K41 VanDerWaalsContact C-N 3.3Å; T39-K41 PolarHBondContact O-N 2.7Å; T39-G42 PolarHBondContact O-N 2.98Å; T39-G42 VanDerWaalsContact O-N 3.15Å; T39-L43 PolarHBondContact O-N 2.87Å |
| 40 | L | 72.2 | Confident | 70 | Confident | 106 Ų | 106 | 94.5 Ų | 94.5 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -32.3 | 174.1 | -175.8 | 65.6 | 0 | 0 | 0 | 113.1 | S36 T38 R44 | S36-L40 VanDerWaalsContact O-CB 3.23Å; S36-L40 WeakPolarHBondContact O-CB 3.4Å; S36-L40 PolarHBondContact O-N 3.27Å; T38-L40 PolarHBondContact O-N 3.3Å; L40-R44 WeakPolarHBondContact O-CB 3.28Å; L40-R44 PolarHBondContact O-N 3.41Å; L40-R44 VanDerWaalsContact O-N 3.12Å |
| 41 | K | 74.7 | Confident | 71.3 | Confident | 154 Ų | 154 | 90 Ų | 90 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.7 | -42.7 | 171.7 | -73.2 | 171 | -177.5 | 173.6 | 0 | 111.3 | A37 T38 T39 R44 A45 | A37-K41 WeakPolarHBondContact O-CG 3.13Å; A37-K41 PolarHBondContact O-N 3.32Å; T38-K41 WeakPolarHBondContact O-CB 3.31Å; T38-K41 PolarHBondContact O-N 3.04Å; T38-K41 VanDerWaalsContact O-N 3.13Å; T39-K41 VanDerWaalsContact C-N 3.3Å; T39-K41 PolarHBondContact O-N 2.7Å; K41-R44 PolarHBondContact O-N 2.8Å; K41-A45 PolarHBondContact O-N 2.78Å |
| 42 | G | 80.7 | Confident | 72.4 | Confident | 42 Ų | 42 | 92.2 Ų | 92.2 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.5 | -50 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T38 T39 R44 A45 Q46 | T38-G42 PolarHBondContact O-N 2.85Å; T39-G42 PolarHBondContact O-N 2.98Å; T39-G42 VanDerWaalsContact O-N 3.15Å; G42-R44 VanDerWaalsContact C-N 3.33Å; G42-R44 PolarHBondContact O-N 3.07Å; G42-A45 PolarHBondContact O-N 3.48Å; G42-A45 VanDerWaalsContact O-N 3.12Å; G42-Q46 WeakPolarHBondContact O-CB 3.44Å; G42-Q46 PolarHBondContact O-N 2.91Å |
| 43 | L | 78.3 | Confident | 73.2 | Confident | 88 Ų | 88 | 90.1 Ų | 90.1 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 177.6 | -170.6 | 67.5 | 0 | 0 | 0 | 112.2 | T39 Q46 M47 | T39-L43 PolarHBondContact O-N 2.87Å; L43-Q46 PolarHBondContact O-N 2.76Å; L43-M47 HydrophobicContact CG-CE 4.22Å; L43-M47 WeakPolarHBondContact O-CG 3.44Å; L43-M47 PolarHBondContact O-N 3.38Å |
| 44 | R | 78.8 | Confident | 74.3 | Confident | 178 Ų | 178 | 90.3 Ų | 90.3 | 67% | 0.672 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 174.2 | -175.9 | 177.5 | -69.7 | 178.9 | -0.3 | 112.3 | L40 K41 G42 A48 | L40-R44 WeakPolarHBondContact O-CB 3.28Å; L40-R44 PolarHBondContact O-N 3.41Å; L40-R44 VanDerWaalsContact O-N 3.12Å; K41-R44 PolarHBondContact O-N 2.8Å; G42-R44 VanDerWaalsContact C-N 3.33Å; G42-R44 PolarHBondContact O-N 3.07Å; R44-A48 WeakPolarHBondContact O-CB 3.28Å; R44-A48 PolarHBondContact O-N 2.84Å |
| 45 | A | 82.3 | Confident | 75.2 | Confident | 62 Ų | 62 | 91 Ų | 91 | 51% | 0.512 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K41 G42 A48 A49 | K41-A45 PolarHBondContact O-N 2.78Å; G42-A45 PolarHBondContact O-N 3.48Å; G42-A45 VanDerWaalsContact O-N 3.12Å; A45-A48 PolarHBondContact O-N 3.46Å; A45-A49 PolarHBondContact O-N 3.09Å |
| 46 | Q | 84.5 | Confident | 76.2 | Confident | 134 Ų | 134 | 92.1 Ų | 92.1 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 175.9 | -170.5 | -178.2 | 48.4 | 0 | 0 | 112 | G42 L43 A48 A49 A50 | G42-Q46 WeakPolarHBondContact O-CB 3.44Å; G42-Q46 PolarHBondContact O-N 2.91Å; L43-Q46 PolarHBondContact O-N 2.76Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 2.78Å; Q46-A49 PolarHBondContact O-N 3.34Å; Q46-A50 WeakPolarHBondContact O-CB 3.44Å; Q46-A50 PolarHBondContact O-N 2.94Å |
| 47 | M | 82.9 | Confident | 77.1 | Confident | 118 Ų | 118 | 94.2 Ų | 94.2 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.7 | -36 | 174.6 | -72.1 | -174 | -66 | 0 | 0 | 112.8 | L43 A51 | L43-M47 HydrophobicContact CG-CE 4.22Å; L43-M47 WeakPolarHBondContact O-CG 3.44Å; L43-M47 PolarHBondContact O-N 3.38Å; M47-A51 WeakPolarHBondContact O-CB 3.45Å; M47-A51 PolarHBondContact O-N 3.4Å |
| 48 | A | 86.6 | Confident | 78.1 | Confident | 48 Ų | 48 | 100.6 Ų | 100.6 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.7 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | R44 A45 Q46 A51 Q52 | R44-A48 WeakPolarHBondContact O-CB 3.28Å; R44-A48 PolarHBondContact O-N 2.84Å; A45-A48 PolarHBondContact O-N 3.46Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 2.78Å; A48-A51 PolarHBondContact O-N 2.76Å; A48-Q52 PolarHBondContact O-N 3.43Å |
| 49 | A | 84.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.2 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A45 Q46 A51 Q52 A53 | A45-A49 PolarHBondContact O-N 3.09Å; Q46-A49 PolarHBondContact O-N 3.34Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.37Å; A49-Q52 PolarHBondContact O-N 2.91Å; A49-A53 PolarHBondContact O-N 3.44Å |
| 50 | A | 78.3 | Confident | 78.9 | Confident | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.4 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q46 A53 Q54 | Q46-A50 WeakPolarHBondContact O-CB 3.44Å; Q46-A50 PolarHBondContact O-N 2.94Å; A50-A53 PolarHBondContact O-N 2.96Å; A50-Q54 PolarHBondContact O-N 2.94Å; A50-Q54 VanDerWaalsContact O-N 3.14Å |
| 51 | A | 84.4 | Confident | 78.5 | Confident | 62 Ų | 62 | 107.2 Ų | 107.2 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.3 | -33.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M47 A48 A49 A55 | M47-A51 WeakPolarHBondContact O-CB 3.45Å; M47-A51 PolarHBondContact O-N 3.4Å; A48-A51 PolarHBondContact O-N 2.76Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.37Å; A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.19Å |
| 52 | Q | 86.9 | Confident | 77.3 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 66% | 0.659 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.3 | -42.1 | 173.1 | -75.5 | -176.5 | -111.6 | 0 | 0 | 112.1 | A48 A49 Q54 A55 E56 | A48-Q52 PolarHBondContact O-N 3.43Å; A49-Q52 PolarHBondContact O-N 2.91Å; Q52-Q54 PolarHBondContact O-N 3.16Å; Q52-A55 WeakPolarHBondContact O-CA 3.45Å; Q52-A55 WeakPolarHBondContact O-CB 3.17Å; Q52-A55 PolarHBondContact O-N 3.14Å; Q52-E56 PolarHBondContact O-N 3.41Å |
| 53 | A | 79.9 | Confident | 75.7 | Confident | 57 Ų | 57 | 104.5 Ų | 104.5 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.3 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A49 A50 A55 E56 E57 | A49-A53 PolarHBondContact O-N 3.44Å; A50-A53 PolarHBondContact O-N 2.96Å; A53-A55 VanDerWaalsContact C-N 3.27Å; A53-A55 PolarHBondContact O-N 3.03Å; A53-E56 PolarHBondContact O-N 2.96Å; A53-E56 VanDerWaalsContact O-N 3.16Å; A53-E57 PolarHBondContact O-N 3.22Å |
| 54 | Q | 78.3 | Confident | 74.4 | Confident | 130 Ų | 130 | 108.3 Ų | 108.3 | 61% | 0.607 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.1 | -22.4 | 174.5 | -71.5 | -166.9 | -18.9 | 0 | 0 | 113.9 | A50 Q52 R58 | A50-Q54 PolarHBondContact O-N 2.94Å; A50-Q54 VanDerWaalsContact O-N 3.14Å; Q52-Q54 PolarHBondContact O-N 3.16Å; Q54-R58 VanDerWaalsContact O-CD 3.27Å; Q54-R58 WeakPolarHBondContact O-CD 3.36Å; Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 3.44Å |
| 55 | A | 72.5 | Confident | 72.2 | Confident | 62 Ų | 62 | 105.2 Ų | 105.2 | 51% | 0.512 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -77.1 | -30.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A51 Q52 A53 R59 | A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.19Å; Q52-A55 WeakPolarHBondContact O-CA 3.45Å; Q52-A55 WeakPolarHBondContact O-CB 3.17Å; Q52-A55 PolarHBondContact O-N 3.14Å; A53-A55 VanDerWaalsContact C-N 3.27Å; A53-A55 PolarHBondContact O-N 3.03Å; A55-R59 PolarHBondContact O-N 3.2Å |
| 56 | E | 77.3 | Confident | 70.5 | Confident | 142 Ų | 142 | 108.2 Ų | 108.2 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.9 | -41.2 | 178.4 | -170.2 | 153.6 | -134.6 | 0 | 0 | 112.3 | Q52 A53 R58 R59 S60 | Q52-E56 PolarHBondContact O-N 3.41Å; A53-E56 PolarHBondContact O-N 2.96Å; A53-E56 VanDerWaalsContact O-N 3.16Å; E56-R58 VanDerWaalsContact C-N 3.29Å; E56-R58 PolarHBondContact O-N 3.35Å; E56-R59 WeakPolarHBondContact O-CA 3.39Å; E56-R59 VanDerWaalsContact O-CB 3.29Å; E56-R59 WeakPolarHBondContact O-CB 3.42Å; E56-R59 PolarHBondContact O-N 3.38Å; E56-S60 PolarHBondContact O-N 2.67Å |
| 57 | E | 74.7 | Confident | 68.1 | Low | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -52.8 | -45.7 | 168.4 | -176 | -163.1 | 168.2 | 0 | 0 | 111.7 | A53 R59 S60 L61 | A53-E57 PolarHBondContact O-N 3.22Å; E57-R59 PolarHBondContact O-N 2.78Å; E57-S60 PolarHBondContact O-N 2.93Å; E57-S60 PolarHBondContact O-OG 3.37Å; E57-L61 HydrophobicContact CG-CD1 4.36Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 2.81Å |
| 58 | R | 77.4 | Confident | 66 | Low | 179 Ų | 179 | 106 Ų | 106 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.9 | -11.4 | 177 | -67.6 | 174.5 | 73.9 | 116.6 | 9.4 | 113.6 | Q54 E56 | Q54-R58 VanDerWaalsContact O-CD 3.27Å; Q54-R58 WeakPolarHBondContact O-CD 3.36Å; Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 3.44Å; E56-R58 VanDerWaalsContact C-N 3.29Å; E56-R58 PolarHBondContact O-N 3.35Å |
| 59 | R | 72.4 | Confident | 63.4 | Low | 202 Ų | 202 | 109.5 Ų | 109.5 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -93.6 | -39 | 177.2 | -163.7 | 178.5 | -167.5 | 166.5 | 3.8 | 111.8 | A55 E56 E57 A62 | A55-R59 PolarHBondContact O-N 3.2Å; E56-R59 WeakPolarHBondContact O-CA 3.39Å; E56-R59 VanDerWaalsContact O-CB 3.29Å; E56-R59 WeakPolarHBondContact O-CB 3.42Å; E56-R59 PolarHBondContact O-N 3.38Å; E57-R59 PolarHBondContact O-N 2.78Å; R59-A62 PolarHBondContact O-N 2.62Å |
| 60 | S | 68.7 | Low | 61.3 | Low | 90 Ų | 90 | 111.1 Ų | 111.1 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.1 | -40.8 | 173 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | E56 E57 A62 G63 | E56-S60 PolarHBondContact O-N 2.67Å; E57-S60 PolarHBondContact O-N 2.93Å; E57-S60 PolarHBondContact O-OG 3.37Å; S60-A62 PolarHBondContact O-N 3.45Å; S60-G63 PolarHBondContact O-N 3.2Å |
| 61 | L | 64.4 | Low | 59.2 | Low | 138 Ų | 138 | 115.4 Ų | 115.4 | 72% | 0.723 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -15.8 | 175.4 | -70.1 | 171.2 | 0 | 0 | 0 | 114.7 | E57 | E57-L61 HydrophobicContact CG-CD1 4.36Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 2.81Å |
| 62 | A | 49 | Very low | 56.8 | Low | 84 Ų | 84 | 117.7 Ų | 117.7 | 69% | 0.694 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -1.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R59 S60 | R59-A62 PolarHBondContact O-N 2.62Å; S60-A62 PolarHBondContact O-N 3.45Å |
| 63 | G | 48 | Very low | 54.8 | Low | 54 Ų | 54 | 116.4 Ų | 116.4 | 56% | 0.557 | 71% | 0.71 | S | S | * | * | trans | -110.4 | 45.4 | -164 | 0 | 0 | 0 | 0 | 0 | 116.2 | S60 | S60-G63 PolarHBondContact O-N 3.2Š| ||
| 64 | N | 50.3 | Low | 52.7 | Low | 169 Ų | 169 | 119 Ų | 119 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | trans | -156.9 | 115.9 | 164.9 | -108.2 | -21.1 | 0 | 0 | 0 | 112.6 | ||||
| 65 | S | 33.3 | Very low | 50.9 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -160.6 | 111.4 | 168.7 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 66 | P | 47.2 | Very low | 49.8 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 131.8 | 172.7 | 31.7 | -31.6 | 0 | 0 | 0 | 110.8 | ||
| 67 | G | 33.8 | Very low | 48.5 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 146.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 68 | P | 39.2 | Very low | 46.7 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 132.6 | -179.2 | 30.6 | -34.3 | 0 | 0 | 0 | 112 | ||
| 69 | S | 31.7 | Very low | 44.9 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 143.6 | 162.6 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 70 | A | 39.8 | Very low | 44.2 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -106.6 | 130.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 71 | V | 34 | Very low | 43.4 | Very low | 147 Ų | 147 | 119.1 Ų | 119.1 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -159.8 | 138 | 152.9 | -100.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 72 | S | 34.7 | Very low | 43.1 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -84.5 | 164.8 | 165 | -40.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 73 | P | 44 | Very low | 42.9 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -155.4 | 167.9 | 81.9 | 41 | -21.7 | 0 | 0 | 0 | 118.3 | |||||
| 74 | S | 35.5 | Very low | 43 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 52.2 | 128.2 | 144.9 | 59.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 75 | K | 40.4 | Very low | 43.1 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 56% | 0.557 | 76% | 0.764 | S | S | * | * | trans | -91.9 | 164.6 | 164.8 | -145 | 170.1 | -172.6 | 168.3 | 0 | 110.5 | G832 S833 | K75-G832 PolarHBondContact NZ-O 2.83Å; K75-S833 VanDerWaalsContact CE-O 3.31Å; K75-S833 WeakPolarHBondContact CE-O 3.37Å; K75-S833 PolarHBondContact NZ-O 3.3Å | ||
| 76 | P | 50.2 | Low | 44.1 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | -144.6 | -179.2 | 110.5 | 37.4 | -22 | 0 | 0 | 0 | 114.7 | |||||
| 77 | Q | 50.6 | Low | 44.4 | Very low | 157 Ų | 157 | 115.9 Ų | 115.9 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -94.1 | 165.1 | -171 | -61.6 | 162 | -92.8 | 0 | 0 | 114.2 | ||||
| 78 | G | 36.8 | Very low | 45.4 | Very low | 56 Ų | 56 | 118.4 Ų | 118.4 | 58% | 0.577 | 74% | 0.738 | S | S | * | * | trans | -147.5 | 159.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 79 | C | 38.3 | Very low | 46.9 | Very low | 138 Ų | 138 | 120 Ų | 120 | 93% | 0.932 | 73% | 0.726 | S | S | * | * | trans | -96.2 | 164.3 | -170.1 | -78.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 80 | K | 59.3 | Low | 49.1 | Very low | 190 Ų | 190 | 118.6 Ų | 118.6 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -64.3 | 163.8 | 179.3 | -49.6 | 178.1 | -175.2 | 177.8 | 0 | 112.8 | ||||
| 81 | P | 51.3 | Low | 51.2 | Low | 123 Ų | 123 | 118.1 Ų | 118.1 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | -131.9 | 179 | 95 | 39.2 | -32.1 | 0 | 0 | 0 | 114.6 | |||||
| 82 | V | 57.2 | Low | 53.6 | Low | 127 Ų | 127 | 113.9 Ų | 113.9 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | trans | -97.9 | 126.5 | -177.8 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 83 | I | 45.5 | Very low | 55.9 | Low | 146 Ų | 146 | 118.3 Ų | 118.3 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | trans | -145.9 | 149.1 | 162.8 | -55.5 | -178.1 | 0 | 0 | 0 | 107.4 | G85 | I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.92Å | ||
| 84 | D | 50.7 | Low | 58 | Low | 167 Ų | 167 | 118.5 Ų | 118.5 | 89% | 0.893 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -68.7 | 59.8 | -169.6 | -61.8 | -69.9 | 0 | 0 | 0 | 116.7 | ||
| 85 | G | 52.3 | Low | 60.5 | Low | 39 Ų | 39 | 120 Ų | 120 | 40% | 0.402 | 65% | 0.652 | S | S | . | * | trans | -113.5 | -3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I83 R89 | I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.92Å; G85-R89 VanDerWaalsContact O-CG 3.28Å; G85-R89 WeakPolarHBondContact O-CG 3.28Å | ||
| 86 | A | 54.1 | Low | 62.7 | Low | 67 Ų | 67 | 116.6 Ų | 116.6 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.5 | -40.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R89 V90 | A86-R89 PolarHBondContact O-N 2.89Å; A86-R89 VanDerWaalsContact O-N 3.16Å; A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 2.88Å |
| 87 | A | 54.3 | Low | 64.5 | Low | 69 Ų | 69 | 112.8 Ų | 112.8 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -56.8 | -56.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R89 V90 D91 | A87-R89 PolarHBondContact O-N 3.36Å; A87-R89 VanDerWaalsContact O-N 3.11Å; A87-V90 CarbonylContact O-C 3.57Å; A87-V90 WeakPolarHBondContact O-CA 3.17Å; A87-V90 WeakPolarHBondContact O-CB 3.37Å; A87-V90 PolarHBondContact O-N 3.4Å; A87-D91 PolarHBondContact O-N 3.36Å |
| 88 | L | 54.6 | Low | 66.3 | Low | 120 Ų | 120 | 112.2 Ų | 112.2 | 63% | 0.628 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -52.2 | -37.3 | 176 | -77.6 | 162.8 | 0 | 0 | 0 | 113.1 | D92 | L88-D92 VanDerWaalsContact O-CB 3.31Å; L88-D92 WeakPolarHBondContact O-CB 3.49Å; L88-D92 PolarHBondContact O-N 2.97Å |
| 89 | R | 69.4 | Low | 68.8 | Low | 172 Ų | 172 | 115.2 Ų | 115.2 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.9 | -27.1 | 178.3 | -49.6 | -130.4 | 80.4 | 164.9 | 7.9 | 113.2 | G85 A86 A87 R93 | G85-R89 VanDerWaalsContact O-CG 3.28Å; G85-R89 WeakPolarHBondContact O-CG 3.28Å; A86-R89 PolarHBondContact O-N 2.89Å; A86-R89 VanDerWaalsContact O-N 3.16Å; A87-R89 PolarHBondContact O-N 3.36Å; A87-R89 VanDerWaalsContact O-N 3.11Å; R89-R93 WeakPolarHBondContact O-CB 3.34Å; R89-R93 VanDerWaalsContact O-CG 3.28Å; R89-R93 WeakPolarHBondContact O-CG 3.48Å; R89-R93 PolarHBondContact O-N 3.15Å; R89-R93 VanDerWaalsContact O-N 3.14Å |
| 90 | V | 79.2 | Confident | 71.3 | Confident | 91 Ų | 91 | 117 Ų | 117 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73 | -43.6 | 171 | 170.8 | 0 | 0 | 0 | 0 | 109.7 | A86 A87 R93 L94 | A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 2.88Å; A87-V90 CarbonylContact O-C 3.57Å; A87-V90 WeakPolarHBondContact O-CA 3.17Å; A87-V90 WeakPolarHBondContact O-CB 3.37Å; A87-V90 PolarHBondContact O-N 3.4Å; V90-R93 CarbonylContact O-C 3.6Å; V90-R93 WeakPolarHBondContact O-CB 3.47Å; V90-R93 PolarHBondContact O-N 2.98Å; V90-L94 WeakPolarHBondContact O-CB 3.44Å; V90-L94 PolarHBondContact O-N 3.36Å |
| 91 | D | 83.4 | Confident | 72.6 | Confident | 82 Ų | 82 | 116.3 Ų | 116.3 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -42.8 | 176.8 | -63.5 | -36.8 | 0 | 0 | 0 | 111.8 | A87 R93 L94 R95 | A87-D91 PolarHBondContact O-N 3.36Å; D91-R93 PolarHBondContact O-N 2.91Å; D91-L94 PolarHBondContact O-N 3.33Å; D91-R95 WeakPolarHBondContact O-CB 3.3Å; D91-R95 PolarHBondContact O-N 2.85Å |
| 92 | D | 84.8 | Confident | 74.3 | Confident | 58 Ų | 58 | 114.3 Ų | 114.3 | 31% | 0.31 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.2 | -44.9 | 171.2 | -75.3 | -15.2 | 0 | 0 | 0 | 111.7 | L88 L94 R95 V96 | L88-D92 VanDerWaalsContact O-CB 3.31Å; L88-D92 WeakPolarHBondContact O-CB 3.49Å; L88-D92 PolarHBondContact O-N 2.97Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 3Å; D92-R95 PolarHBondContact O-N 3.49Å; D92-R95 IonicContact OD1-CZ 2.67Å; D92-R95 IonicContact OD1-NH1 2.8Å; D92-R95 PolarHBondContact OD1-NH1 3.12Å; D92-R95 IonicContact OD1-NH2 3.2Å; D92-R95 PolarHBondContact OD1-NH2 3.38Å; D92-V96 WeakPolarHBondContact O-CG2 3.47Å; D92-V96 PolarHBondContact O-N 2.95Å |
| 93 | R | 83.2 | Confident | 75.8 | Confident | 204 Ų | 204 | 113.4 Ų | 113.4 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -38.7 | 176.2 | -84.5 | 178.4 | 162.9 | -150.2 | -2.9 | 112.2 | R89 V90 D91 A97 | R89-R93 WeakPolarHBondContact O-CB 3.34Å; R89-R93 VanDerWaalsContact O-CG 3.28Å; R89-R93 WeakPolarHBondContact O-CG 3.48Å; R89-R93 PolarHBondContact O-N 3.15Å; R89-R93 VanDerWaalsContact O-N 3.14Å; V90-R93 CarbonylContact O-C 3.6Å; V90-R93 WeakPolarHBondContact O-CB 3.47Å; V90-R93 PolarHBondContact O-N 2.98Å; D91-R93 PolarHBondContact O-N 2.91Å; R93-A97 VanDerWaalsContact O-CB 3.24Å; R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 3.32Å |
| 94 | L | 86.4 | Confident | 77.8 | Confident | 118 Ų | 118 | 109.1 Ų | 109.1 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.9 | -38.5 | 177.1 | -165 | 71.3 | 0 | 0 | 0 | 110.9 | V90 D91 D92 A97 K98 | V90-L94 WeakPolarHBondContact O-CB 3.44Å; V90-L94 PolarHBondContact O-N 3.36Å; D91-L94 PolarHBondContact O-N 3.33Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 3Å; L94-A97 PolarHBondContact O-N 3.13Å; L94-K98 WeakPolarHBondContact O-CB 3.5Å; L94-K98 PolarHBondContact O-N 2.87Å |
| 95 | R | 88.9 | Confident | 79.7 | Confident | 144 Ų | 144 | 106.8 Ų | 106.8 | 54% | 0.543 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 174.3 | -157.7 | -175.9 | -47.4 | 113.1 | 14.7 | 111.2 | D91 D92 A97 K98 E99 | D91-R95 WeakPolarHBondContact O-CB 3.3Å; D91-R95 PolarHBondContact O-N 2.85Å; D92-R95 PolarHBondContact O-N 3.49Å; D92-R95 IonicContact OD1-CZ 2.67Å; D92-R95 IonicContact OD1-NH1 2.8Å; D92-R95 PolarHBondContact OD1-NH1 3.12Å; D92-R95 IonicContact OD1-NH2 3.2Å; D92-R95 PolarHBondContact OD1-NH2 3.38Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.45Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 2.88Å; R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 3.23Å |
| 96 | V | 87.4 | Confident | 81.6 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 34% | 0.339 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -32.5 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | D92 R100 | D92-V96 WeakPolarHBondContact O-CG2 3.47Å; D92-V96 PolarHBondContact O-N 2.95Å; V96-R100 WeakPolarHBondContact O-CG 3.45Å; V96-R100 PolarHBondContact O-N 3.12Å; V96-R100 VanDerWaalsContact O-N 3.1Å |
| 97 | A | 86.4 | Confident | 83.1 | Confident | 44 Ų | 44 | 111.9 Ų | 111.9 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.5 | -35.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R93 L94 R95 R101 | R93-A97 VanDerWaalsContact O-CB 3.24Å; R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 3.32Å; L94-A97 PolarHBondContact O-N 3.13Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.45Å; A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.97Å |
| 98 | K | 89.8 | Confident | 84.7 | Confident | 146 Ų | 146 | 113.7 Ų | 113.7 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.7 | -47.2 | 171.8 | -175.3 | -175.1 | 175.2 | -172.2 | 0 | 110.9 | L94 R95 R100 R101 E102 | L94-K98 WeakPolarHBondContact O-CB 3.5Å; L94-K98 PolarHBondContact O-N 2.87Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 2.88Å; K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.99Å; K98-R101 WeakPolarHBondContact O-CA 3.38Å; K98-R101 WeakPolarHBondContact O-CB 3.42Å; K98-R101 PolarHBondContact O-N 3.45Å; K98-E102 PolarHBondContact O-N 3.45Å |
| 99 | E | 87.9 | Confident | 86.4 | Confident | 118 Ų | 118 | 110.5 Ų | 110.5 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -55.4 | -43.6 | 178.1 | -177 | 176.2 | -149.5 | 0 | 0 | 112.1 | R95 R101 E102 E103 | R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 3.23Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 3.05Å; E99-E102 PolarHBondContact O-N 3.31Å; E99-E103 WeakPolarHBondContact O-CB 3.36Å; E99-E103 PolarHBondContact O-N 3.04Å |
| 100 | R | 90.6 | Very high | 87.5 | Confident | 175 Ų | 175 | 107.8 Ų | 107.8 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -29 | 175 | -73.4 | 175.9 | -177.5 | 154 | 3.3 | 114.3 | V96 K98 A104 | V96-R100 WeakPolarHBondContact O-CG 3.45Å; V96-R100 PolarHBondContact O-N 3.12Å; V96-R100 VanDerWaalsContact O-N 3.1Å; K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.99Å; R100-A104 WeakPolarHBondContact O-CB 3.49Å; R100-A104 PolarHBondContact O-N 2.8Å |
| 101 | R | 86.3 | Confident | 87.8 | Confident | 176 Ų | 176 | 110.2 Ų | 110.2 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.8 | -47.3 | 171.1 | -70.8 | 176.9 | -178.5 | 175.5 | 0.5 | 110 | A97 K98 E99 E103 A104 E105 | A97-R101 WeakPolarHBondContact O-CG 3.46Å; A97-R101 PolarHBondContact O-N 2.97Å; K98-R101 WeakPolarHBondContact O-CA 3.38Å; K98-R101 WeakPolarHBondContact O-CB 3.42Å; K98-R101 PolarHBondContact O-N 3.45Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-R101 PolarHBondContact O-N 3.05Å; R101-E103 VanDerWaalsContact C-N 3.29Å; R101-E103 PolarHBondContact O-N 3.17Å; R101-A104 PolarHBondContact O-N 2.7Å; R101-A104 VanDerWaalsContact O-N 3.13Å; R101-E105 WeakPolarHBondContact O-CB 3.45Å; R101-E105 VanDerWaalsContact O-CG 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.39Å; R101-E105 PolarHBondContact O-N 3.35Å |
| 102 | E | 87.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 111 Ų | 111 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -36 | 177.6 | -161.2 | -173.1 | 125.1 | 0 | 0 | 112.1 | K98 E99 K106 | K98-E102 PolarHBondContact O-N 3.45Å; E99-E102 PolarHBondContact O-N 3.31Å; E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.38Å; E102-K106 WeakPolarHBondContact O-CG 3.45Å; E102-K106 PolarHBondContact O-N 3.1Å; E102-K106 VanDerWaalsContact OE1-CE 3.29Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.7Å; E102-K106 PolarHBondContact OE1-NZ 3.49Å |
| 103 | E | 88.4 | Confident | 87.9 | Confident | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 173 | -167.3 | -171.1 | 175.7 | 0 | 0 | 111.9 | E99 R101 E105 K106 Q107 | E99-E103 WeakPolarHBondContact O-CB 3.36Å; E99-E103 PolarHBondContact O-N 3.04Å; R101-E103 VanDerWaalsContact C-N 3.29Å; R101-E103 PolarHBondContact O-N 3.17Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E103-K106 PolarHBondContact O-N 2.94Å; E103-Q107 WeakPolarHBondContact O-CG 3.32Å; E103-Q107 PolarHBondContact O-N 2.87Å |
| 104 | A | 89 | Confident | 87.9 | Confident | 56 Ų | 56 | 106.4 Ų | 106.4 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R100 R101 Q107 Q108 | R100-A104 WeakPolarHBondContact O-CB 3.49Å; R100-A104 PolarHBondContact O-N 2.8Å; R101-A104 PolarHBondContact O-N 2.7Å; R101-A104 VanDerWaalsContact O-N 3.13Å; A104-Q107 PolarHBondContact O-N 3.28Å; A104-Q108 WeakPolarHBondContact O-CB 3.27Å; A104-Q108 PolarHBondContact O-N 2.84Å |
| 105 | E | 91 | Very high | 88.1 | Confident | 117 Ų | 117 | 105.6 Ų | 105.6 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 174.4 | -73.4 | 162.4 | -158.3 | 0 | 0 | 111.3 | R101 E103 Q107 Q108 A109 | R101-E105 WeakPolarHBondContact O-CB 3.45Å; R101-E105 VanDerWaalsContact O-CG 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.39Å; R101-E105 PolarHBondContact O-N 3.35Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 3.5Å; E105-Q108 PolarHBondContact O-N 3.11Å; E105-Q108 VanDerWaalsContact O-N 3.17Å; E105-A109 WeakPolarHBondContact O-CB 3.44Å; E105-A109 PolarHBondContact O-N 2.91Å |
| 106 | K | 91.6 | Very high | 87.5 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 171.4 | -77.1 | 163 | -173.8 | 164.8 | 0 | 111.9 | E102 E103 Q108 L110 | E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.38Å; E102-K106 WeakPolarHBondContact O-CG 3.45Å; E102-K106 PolarHBondContact O-N 3.1Å; E102-K106 VanDerWaalsContact OE1-CE 3.29Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.7Å; E102-K106 PolarHBondContact OE1-NZ 3.49Å; E103-K106 PolarHBondContact O-N 2.94Å; K106-Q108 VanDerWaalsContact C-N 3.34Å; K106-L110 WeakPolarHBondContact O-CB 3.43Å; K106-L110 PolarHBondContact O-N 3.33Å |
| 107 | Q | 85.3 | Confident | 87.4 | Confident | 89 Ų | 89 | 104.9 Ų | 104.9 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.1 | -31.7 | 175.2 | -67.1 | -168 | 25.6 | 0 | 0 | 112.9 | E103 A104 E105 R111 | E103-Q107 WeakPolarHBondContact O-CG 3.32Å; E103-Q107 PolarHBondContact O-N 2.87Å; A104-Q107 PolarHBondContact O-N 3.28Å; E105-Q107 PolarHBondContact O-N 3.5Å; Q107-R111 WeakPolarHBondContact O-CG 3.41Å; Q107-R111 PolarHBondContact O-N 2.8Å; Q107-R111 PolarHBondContact O-NH1 2.81Å |
| 108 | Q | 87.4 | Confident | 87.3 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -51.6 | 173.6 | 177.6 | 171.4 | -23.5 | 0 | 0 | 110.5 | A104 E105 K106 L110 R111 E112 | A104-Q108 WeakPolarHBondContact O-CB 3.27Å; A104-Q108 PolarHBondContact O-N 2.84Å; E105-Q108 PolarHBondContact O-N 3.11Å; E105-Q108 VanDerWaalsContact O-N 3.17Å; K106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 2.91Å; Q108-R111 WeakPolarHBondContact O-CA 3.39Å; Q108-R111 WeakPolarHBondContact O-CB 3.24Å; Q108-R111 PolarHBondContact O-N 3.23Å; Q108-E112 HydrophobicContact CG-CG 4.33Å; Q108-E112 VanDerWaalsContact CG-OE1 3.25Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.31Å; Q108-E112 PolarHBondContact NE2-OE1 3.16Å; Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.14Å |
| 109 | A | 90.1 | Very high | 87.2 | Confident | 52 Ų | 52 | 105.5 Ų | 105.5 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.1 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E105 S113 | E105-A109 WeakPolarHBondContact O-CB 3.44Å; E105-A109 PolarHBondContact O-N 2.91Å; A109-S113 WeakPolarHBondContact O-CB 3.34Å; A109-S113 PolarHBondContact O-N 2.96Å |
| 110 | L | 92.3 | Very high | 87.1 | Confident | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.3 | -39 | 174.1 | -171.4 | 149.4 | 0 | 0 | 0 | 112.4 | K106 Q108 Q114 | K106-L110 WeakPolarHBondContact O-CB 3.43Å; K106-L110 PolarHBondContact O-N 3.33Å; Q108-L110 PolarHBondContact O-N 2.91Å; L110-Q114 WeakPolarHBondContact O-CB 3.37Å; L110-Q114 PolarHBondContact O-N 3.37Å; L110-Q114 VanDerWaalsContact O-N 3.09Å |
| 111 | R | 86.6 | Confident | 86.8 | Confident | 142 Ų | 142 | 105 Ų | 105 | 54% | 0.536 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 174.5 | -68.7 | 174.9 | -169.5 | 105.7 | 4 | 111.4 | Q107 Q108 Q114 I115 | Q107-R111 WeakPolarHBondContact O-CG 3.41Å; Q107-R111 PolarHBondContact O-N 2.8Å; Q107-R111 PolarHBondContact O-NH1 2.81Å; Q108-R111 WeakPolarHBondContact O-CA 3.39Å; Q108-R111 WeakPolarHBondContact O-CB 3.24Å; Q108-R111 PolarHBondContact O-N 3.23Å; R111-Q114 PolarHBondContact O-N 2.95Å; R111-I115 VanDerWaalsContact O-CG1 3.32Å; R111-I115 WeakPolarHBondContact O-CG1 3.28Å; R111-I115 PolarHBondContact O-N 3.23Å |
| 112 | E | 84.4 | Confident | 87 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 176.1 | -71.5 | 174.4 | -176.7 | 0 | 0 | 111.8 | Q108 Q114 I115 M116 | Q108-E112 HydrophobicContact CG-CG 4.33Å; Q108-E112 VanDerWaalsContact CG-OE1 3.25Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.31Å; Q108-E112 PolarHBondContact NE2-OE1 3.16Å; Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.14Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.9Å; E112-I115 CarbonylContact O-C 3.58Å; E112-I115 WeakPolarHBondContact O-CA 3.45Å; E112-I115 WeakPolarHBondContact O-CB 3.36Å; E112-I115 PolarHBondContact O-N 3.32Å; E112-M116 WeakPolarHBondContact O-CG 3.37Å; E112-M116 PolarHBondContact O-N 3.19Å |
| 113 | S | 85.3 | Confident | 87 | Confident | 79 Ų | 79 | 101 Ų | 101 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -56.4 | -44.5 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | A109 I115 M116 E117 | A109-S113 WeakPolarHBondContact O-CB 3.34Å; A109-S113 PolarHBondContact O-N 2.96Å; S113-I115 VanDerWaalsContact C-N 3.32Å; S113-I115 PolarHBondContact O-N 2.86Å; S113-M116 PolarHBondContact O-N 3.28Å; S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 PolarHBondContact O-N 3.21Å |
| 114 | Q | 82.4 | Confident | 87 | Confident | 88 Ų | 88 | 100.9 Ų | 100.9 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -30.8 | 175.4 | -170.3 | -178.8 | 99.6 | 0 | 0 | 113.1 | L110 R111 E112 R118 | L110-Q114 WeakPolarHBondContact O-CB 3.37Å; L110-Q114 PolarHBondContact O-N 3.37Å; L110-Q114 VanDerWaalsContact O-N 3.09Å; R111-Q114 PolarHBondContact O-N 2.95Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.9Å; Q114-R118 VanDerWaalsContact O-CG 3.29Å; Q114-R118 WeakPolarHBondContact O-CG 3.37Å; Q114-R118 PolarHBondContact O-N 3.31Å |
| 115 | I | 91.4 | Very high | 86.7 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -48.1 | 172.9 | -69.9 | 162.4 | 0 | 0 | 0 | 110.1 | R111 E112 S113 E117 R118 E119 | R111-I115 VanDerWaalsContact O-CG1 3.32Å; R111-I115 WeakPolarHBondContact O-CG1 3.28Å; R111-I115 PolarHBondContact O-N 3.23Å; E112-I115 CarbonylContact O-C 3.58Å; E112-I115 WeakPolarHBondContact O-CA 3.45Å; E112-I115 WeakPolarHBondContact O-CB 3.36Å; E112-I115 PolarHBondContact O-N 3.32Å; S113-I115 VanDerWaalsContact C-N 3.32Å; S113-I115 PolarHBondContact O-N 2.86Å; I115-E117 VanDerWaalsContact C-N 3.3Å; I115-E117 PolarHBondContact O-N 3.01Å; I115-R118 WeakPolarHBondContact O-CB 3.32Å; I115-R118 PolarHBondContact O-N 2.99Å; I115-R118 VanDerWaalsContact O-N 3.16Å; I115-E119 PolarHBondContact O-N 2.83Å |
| 116 | M | 75.7 | Confident | 86.5 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 177.5 | -69.2 | -62.6 | -72 | 0 | 0 | 112.3 | E112 S113 E119 R120 | E112-M116 WeakPolarHBondContact O-CG 3.37Å; E112-M116 PolarHBondContact O-N 3.19Å; S113-M116 PolarHBondContact O-N 3.28Å; M116-E119 PolarHBondContact O-N 3.46Å; M116-R120 WeakPolarHBondContact O-CB 3.5Å; M116-R120 VanDerWaalsContact O-CG 3.3Å; M116-R120 WeakPolarHBondContact O-CG 3.4Å; M116-R120 PolarHBondContact O-N 3.29Å |
| 117 | E | 87.2 | Confident | 86.4 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 175.5 | -158.8 | -134.6 | -164.3 | 0 | 0 | 112 | S113 I115 K121 | S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 PolarHBondContact O-N 3.21Å; I115-E117 VanDerWaalsContact C-N 3.3Å; I115-E117 PolarHBondContact O-N 3.01Å; E117-K121 VanDerWaalsContact CD-CE 3.44Å; E117-K121 WeakPolarHBondContact O-CG 3.46Å; E117-K121 PolarHBondContact O-N 3.12Å; E117-K121 VanDerWaalsContact OE1-CE 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.27Å; E117-K121 IonicContact OE1-NZ 3.59Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 2.78Å; E117-K121 PolarHBondContact OE2-NZ 2.94Å |
| 118 | R | 84 | Confident | 86.6 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 171.9 | -73.9 | 171.3 | 179.9 | 141.5 | 9.6 | 112 | Q114 I115 K121 A122 | Q114-R118 VanDerWaalsContact O-CG 3.29Å; Q114-R118 WeakPolarHBondContact O-CG 3.37Å; Q114-R118 PolarHBondContact O-N 3.31Å; I115-R118 WeakPolarHBondContact O-CB 3.32Å; I115-R118 PolarHBondContact O-N 2.99Å; I115-R118 VanDerWaalsContact O-N 3.16Å; R118-K121 PolarHBondContact O-N 2.93Å; R118-A122 WeakPolarHBondContact O-CB 3.35Å; R118-A122 PolarHBondContact O-N 3.48Å |
| 119 | E | 86.5 | Confident | 86.6 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 178 | -161.6 | -166.9 | 139 | 0 | 0 | 111.6 | I115 M116 K121 A122 K123 | I115-E119 PolarHBondContact O-N 2.83Å; M116-E119 PolarHBondContact O-N 3.46Å; E119-K121 PolarHBondContact O-N 3.06Å; E119-A122 PolarHBondContact O-N 3.06Å; E119-K123 HydrophobicContact CG-CD 4.4Å; E119-K123 WeakPolarHBondContact O-CB 3.32Å; E119-K123 WeakPolarHBondContact O-CG 3.36Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 WeakPolarHBondContact OE1-CE 3.27Å; E119-K123 IonicContact OE1-NZ 2.66Å; E119-K123 PolarHBondContact OE1-NZ 2.79Å |
| 120 | R | 86.8 | Confident | 85.9 | Confident | 171 Ų | 171 | 107.2 Ų | 107.2 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.9 | -47.7 | 171.2 | -75.1 | 170.4 | 176.7 | 171.3 | -0.7 | 111.3 | M116 A122 K123 L124 | M116-R120 WeakPolarHBondContact O-CB 3.5Å; M116-R120 VanDerWaalsContact O-CG 3.3Å; M116-R120 WeakPolarHBondContact O-CG 3.4Å; M116-R120 PolarHBondContact O-N 3.29Å; R120-A122 PolarHBondContact O-N 3.44Å; R120-K123 PolarHBondContact O-N 3.22Å; R120-L124 WeakPolarHBondContact O-CG 3.23Å; R120-L124 PolarHBondContact O-N 2.92Å |
| 121 | K | 84.8 | Confident | 85.8 | Confident | 112 Ų | 112 | 107.2 Ų | 107.2 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 176.8 | -72 | 169.2 | -178.1 | 172.5 | 0 | 112.6 | E117 R118 E119 Q125 | E117-K121 VanDerWaalsContact CD-CE 3.44Å; E117-K121 WeakPolarHBondContact O-CG 3.46Å; E117-K121 PolarHBondContact O-N 3.12Å; E117-K121 VanDerWaalsContact OE1-CE 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.27Å; E117-K121 IonicContact OE1-NZ 3.59Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 2.78Å; E117-K121 PolarHBondContact OE2-NZ 2.94Å; R118-K121 PolarHBondContact O-N 2.93Å; E119-K121 PolarHBondContact O-N 3.06Å; K121-Q125 PolarHBondContact O-N 3.3Å; K121-Q125 VanDerWaalsContact O-N 3.13Å |
| 122 | A | 88.8 | Confident | 85.8 | Confident | 48 Ų | 48 | 104.9 Ų | 104.9 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R118 E119 R120 Q125 V126 | R118-A122 WeakPolarHBondContact O-CB 3.35Å; R118-A122 PolarHBondContact O-N 3.48Å; E119-A122 PolarHBondContact O-N 3.06Å; R120-A122 PolarHBondContact O-N 3.44Å; A122-Q125 PolarHBondContact O-N 3.24Å; A122-V126 PolarHBondContact O-N 3.25Å |
| 123 | K | 88.6 | Confident | 85.7 | Confident | 124 Ų | 124 | 107.4 Ų | 107.4 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.3 | -51.6 | 174.3 | -79 | 168.7 | 166.9 | 168.7 | 0 | 111.1 | E119 R120 Q125 V126 E127 | E119-K123 HydrophobicContact CG-CD 4.4Å; E119-K123 WeakPolarHBondContact O-CB 3.32Å; E119-K123 WeakPolarHBondContact O-CG 3.36Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 WeakPolarHBondContact OE1-CE 3.27Å; E119-K123 IonicContact OE1-NZ 2.66Å; E119-K123 PolarHBondContact OE1-NZ 2.79Å; R120-K123 PolarHBondContact O-N 3.22Å; K123-Q125 VanDerWaalsContact C-N 3.28Å; K123-Q125 PolarHBondContact O-N 3.03Å; K123-V126 PolarHBondContact O-N 3.21Å; K123-V126 VanDerWaalsContact O-N 3.1Å; K123-E127 WeakPolarHBondContact O-CB 3.49Å; K123-E127 PolarHBondContact O-N 2.71Å |
| 124 | L | 88.7 | Confident | 85.5 | Confident | 107 Ų | 107 | 108.9 Ų | 108.9 | 56% | 0.56 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.9 | -36.1 | 175.8 | -71.1 | 167.6 | 0 | 0 | 0 | 113.1 | R120 R128 | R120-L124 WeakPolarHBondContact O-CG 3.23Å; R120-L124 PolarHBondContact O-N 2.92Å; L124-R128 VanDerWaalsContact O-CB 3.24Å; L124-R128 WeakPolarHBondContact O-CB 3.17Å; L124-R128 PolarHBondContact O-N 3.16Å |
| 125 | Q | 81.4 | Confident | 85.9 | Confident | 129 Ų | 129 | 111.8 Ų | 111.8 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 176.6 | -170.3 | -178.5 | 59.1 | 0 | 0 | 112.5 | K121 A122 K123 Q129 | K121-Q125 PolarHBondContact O-N 3.3Å; K121-Q125 VanDerWaalsContact O-N 3.13Å; A122-Q125 PolarHBondContact O-N 3.24Å; K123-Q125 VanDerWaalsContact C-N 3.28Å; K123-Q125 PolarHBondContact O-N 3.03Å; Q125-Q129 WeakPolarHBondContact O-CG 3.29Å; Q125-Q129 PolarHBondContact O-N 3.07Å |
| 126 | V | 87.4 | Confident | 85.7 | Confident | 79 Ų | 79 | 112.1 Ų | 112.1 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.7 | -42.5 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 111 | A122 K123 Q129 Q130 | A122-V126 PolarHBondContact O-N 3.25Å; K123-V126 PolarHBondContact O-N 3.21Å; K123-V126 VanDerWaalsContact O-N 3.1Å; V126-Q129 PolarHBondContact O-N 2.62Å; V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 3.18Å; V126-Q130 VanDerWaalsContact O-N 3.08Å |
| 127 | E | 89.2 | Confident | 86.1 | Confident | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -54.7 | 175.1 | -178.6 | 166.6 | -138.1 | 0 | 0 | 111.2 | K123 Q129 Q130 E131 | K123-E127 WeakPolarHBondContact O-CB 3.49Å; K123-E127 PolarHBondContact O-N 2.71Å; E127-Q129 PolarHBondContact O-N 3.3Å; E127-Q129 VanDerWaalsContact O-N 3.14Å; E127-Q130 CarbonylContact O-C 3.57Å; E127-Q130 WeakPolarHBondContact O-CA 3.41Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 3.17Å; E127-E131 PolarHBondContact O-N 2.93Å |
| 128 | R | 89.3 | Confident | 86 | Confident | 179 Ų | 179 | 112.3 Ų | 112.3 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53.6 | -36.8 | 174.8 | 180 | 179 | 171.2 | -179.2 | 0.5 | 113.1 | L124 E132 | L124-R128 VanDerWaalsContact O-CB 3.24Å; L124-R128 WeakPolarHBondContact O-CB 3.17Å; L124-R128 PolarHBondContact O-N 3.16Å; R128-E132 WeakPolarHBondContact O-CB 3.27Å; R128-E132 PolarHBondContact O-N 3.33Å |
| 129 | Q | 88.6 | Confident | 86.3 | Confident | 87 Ų | 87 | 110.9 Ų | 110.9 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | -30.3 | 174.9 | -80.4 | -170.6 | 54 | 0 | 0 | 113.4 | Q125 V126 E127 R133 | Q125-Q129 WeakPolarHBondContact O-CG 3.29Å; Q125-Q129 PolarHBondContact O-N 3.07Å; V126-Q129 PolarHBondContact O-N 2.62Å; E127-Q129 PolarHBondContact O-N 3.3Å; E127-Q129 VanDerWaalsContact O-N 3.14Å; Q129-R133 VanDerWaalsContact O-CD 3.23Å; Q129-R133 WeakPolarHBondContact O-CD 3.36Å; Q129-R133 WeakPolarHBondContact O-CG 3.48Å; Q129-R133 PolarHBondContact O-N 2.8Å; Q129-R133 PolarHBondContact O-NE 2.97Å |
| 130 | Q | 74.9 | Confident | 86.3 | Confident | 101 Ų | 101 | 113.1 Ų | 113.1 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.5 | -44.6 | 173.3 | -67.9 | -177.1 | 57.9 | 0 | 0 | 110.7 | V126 E127 E132 R133 Q134 | V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 3.18Å; V126-Q130 VanDerWaalsContact O-N 3.08Å; E127-Q130 CarbonylContact O-C 3.57Å; E127-Q130 WeakPolarHBondContact O-CA 3.41Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 3.17Å; Q130-E132 PolarHBondContact O-N 2.85Å; Q130-R133 WeakPolarHBondContact O-CB 3.48Å; Q130-R133 PolarHBondContact O-N 3.13Å; Q130-R133 VanDerWaalsContact O-N 3.17Å; Q130-Q134 WeakPolarHBondContact O-CG 3.4Å; Q130-Q134 PolarHBondContact O-N 2.85Å |
| 131 | E | 89.4 | Confident | 86.5 | Confident | 116 Ų | 116 | 113.7 Ų | 113.7 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.2 | -45.9 | 172.9 | -68.1 | -170.3 | 126 | 0 | 0 | 112.1 | E127 R133 Q134 K135 | E127-E131 PolarHBondContact O-N 2.93Å; E131-R133 VanDerWaalsContact C-N 3.26Å; E131-R133 PolarHBondContact O-N 3.47Å; E131-Q134 PolarHBondContact O-N 3.28Å; E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.48Å; E131-K135 PolarHBondContact O-N 2.99Å |
| 132 | E | 86.7 | Confident | 86.4 | Confident | 93 Ų | 93 | 114 Ų | 114 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 179.5 | -161.8 | -164.4 | 126.3 | 0 | 0 | 112 | R128 Q130 K136 | R128-E132 WeakPolarHBondContact O-CB 3.27Å; R128-E132 PolarHBondContact O-N 3.33Å; Q130-E132 PolarHBondContact O-N 2.85Å; E132-K136 WeakPolarHBondContact O-CD 3.37Å; E132-K136 VanDerWaalsContact O-CG 3.28Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.17Å; E132-K136 WeakPolarHBondContact OE1-CE 3.41Å; E132-K136 IonicContact OE1-NZ 3.12Å; E132-K136 PolarHBondContact OE1-NZ 3.29Å |
| 133 | R | 81.8 | Confident | 86.4 | Confident | 149 Ų | 149 | 116.7 Ų | 116.7 | 56% | 0.562 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.6 | -42.8 | 174.8 | -66.4 | 165 | -160.6 | 178.7 | 7.3 | 111.3 | Q129 Q130 E131 K136 L137 | Q129-R133 VanDerWaalsContact O-CD 3.23Å; Q129-R133 WeakPolarHBondContact O-CD 3.36Å; Q129-R133 WeakPolarHBondContact O-CG 3.48Å; Q129-R133 PolarHBondContact O-N 2.8Å; Q129-R133 PolarHBondContact O-NE 2.97Å; Q130-R133 WeakPolarHBondContact O-CB 3.48Å; Q130-R133 PolarHBondContact O-N 3.13Å; Q130-R133 VanDerWaalsContact O-N 3.17Å; E131-R133 VanDerWaalsContact C-N 3.26Å; E131-R133 PolarHBondContact O-N 3.47Å; R133-K136 PolarHBondContact O-N 3.35Å; R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 2.86Å |
| 134 | Q | 81.2 | Confident | 86.4 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 175.6 | -70.9 | 175.7 | 9 | 0 | 0 | 111.2 | Q130 E131 K136 L137 E138 | Q130-Q134 WeakPolarHBondContact O-CG 3.4Å; Q130-Q134 PolarHBondContact O-N 2.85Å; E131-Q134 PolarHBondContact O-N 3.28Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 2.79Å; Q134-L137 CarbonylContact O-C 3.58Å; Q134-L137 WeakPolarHBondContact O-CA 3.49Å; Q134-L137 WeakPolarHBondContact O-CB 3.4Å; Q134-L137 PolarHBondContact O-N 3.44Å; Q134-E138 PolarHBondContact O-N 2.81Å |
| 135 | K | 90.9 | Very high | 86.4 | Confident | 150 Ų | 150 | 115.5 Ų | 115.5 | 65% | 0.652 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -55.8 | -40 | 177.2 | -174.1 | 172.1 | -177.3 | 172.8 | 0 | 112.3 | E131 E138 E139 | E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.48Å; E131-K135 PolarHBondContact O-N 2.99Å; K135-E138 PolarHBondContact O-N 3.01Å; K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.42Å; K135-E139 PolarHBondContact O-N 3.35Å |
| 136 | K | 88.7 | Confident | 86.3 | Confident | 107 Ų | 107 | 115.6 Ų | 115.6 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 174.3 | -76 | 167.8 | 177.9 | 173 | 0 | 113 | E132 R133 Q134 Q140 | E132-K136 WeakPolarHBondContact O-CD 3.37Å; E132-K136 VanDerWaalsContact O-CG 3.28Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.17Å; E132-K136 WeakPolarHBondContact OE1-CE 3.41Å; E132-K136 IonicContact OE1-NZ 3.12Å; E132-K136 PolarHBondContact OE1-NZ 3.29Å; R133-K136 PolarHBondContact O-N 3.35Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 2.79Å; K136-Q140 WeakPolarHBondContact O-CG 3.48Å; K136-Q140 PolarHBondContact O-N 2.75Å; K136-Q140 VanDerWaalsContact O-N 3.11Å |
| 137 | L | 83.8 | Confident | 86.5 | Confident | 101 Ų | 101 | 118.8 Ų | 118.8 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.8 | -39.2 | 174 | -67.1 | 170.6 | 0 | 0 | 0 | 111.9 | R133 Q134 Q140 R141 | R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 2.86Å; Q134-L137 CarbonylContact O-C 3.58Å; Q134-L137 WeakPolarHBondContact O-CA 3.49Å; Q134-L137 WeakPolarHBondContact O-CB 3.4Å; Q134-L137 PolarHBondContact O-N 3.44Å; L137-Q140 PolarHBondContact O-N 2.87Å; L137-R141 WeakPolarHBondContact O-CG 3.45Å; L137-R141 PolarHBondContact O-N 3.43Å |
| 138 | E | 85.4 | Confident | 86.4 | Confident | 88 Ų | 88 | 121.6 Ų | 121.6 | 41% | 0.411 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 173.5 | -69.6 | -169 | 171 | 0 | 0 | 112.4 | Q134 K135 Q140 R141 K142 | Q134-E138 PolarHBondContact O-N 2.81Å; K135-E138 PolarHBondContact O-N 3.01Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.19Å; E138-R141 PolarHBondContact O-N 3.43Å; E138-K142 WeakPolarHBondContact O-CB 3.37Å; E138-K142 WeakPolarHBondContact O-CG 3.41Å; E138-K142 PolarHBondContact O-N 2.85Å |
| 139 | E | 89.9 | Confident | 86.4 | Confident | 90 Ų | 90 | 117.8 Ų | 117.8 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 174.2 | -167.6 | -165.3 | 140.6 | 0 | 0 | 111.3 | K135 K143 | K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.42Å; K135-E139 PolarHBondContact O-N 3.35Å; E139-K143 HydrophobicContact CG-CD 4.29Å; E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.25Å; E139-K143 VanDerWaalsContact O-CG 3.28Å; E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 WeakPolarHBondContact OE1-CE 3.45Å; E139-K143 IonicContact OE1-NZ 2.58Å; E139-K143 PolarHBondContact OE1-NZ 3.39Å |
| 140 | Q | 85.5 | Confident | 86.5 | Confident | 129 Ų | 129 | 116 Ų | 116 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 172 | -75.6 | 178.7 | 11.6 | 0 | 0 | 112.1 | K136 L137 E138 K143 E144 | K136-Q140 WeakPolarHBondContact O-CG 3.48Å; K136-Q140 PolarHBondContact O-N 2.75Å; K136-Q140 VanDerWaalsContact O-N 3.11Å; L137-Q140 PolarHBondContact O-N 2.87Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.19Å; Q140-K143 PolarHBondContact O-N 3.27Å; Q140-E144 PolarHBondContact O-N 3.32Å |
| 141 | R | 91.6 | Very high | 87.5 | Confident | 183 Ų | 183 | 116.1 Ų | 116.1 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59 | -49.5 | 174.7 | -74.6 | 175.1 | 176.5 | -175.7 | -1.6 | 111.5 | L137 E138 K143 E144 E145 | L137-R141 WeakPolarHBondContact O-CG 3.45Å; L137-R141 PolarHBondContact O-N 3.43Å; E138-R141 PolarHBondContact O-N 3.43Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 2.87Å; R141-E144 WeakPolarHBondContact O-CB 3.44Å; R141-E144 PolarHBondContact O-N 2.89Å; R141-E145 WeakPolarHBondContact O-CB 3.32Å; R141-E145 PolarHBondContact O-N 2.69Å |
| 142 | K | 82.3 | Confident | 87.5 | Confident | 119 Ų | 119 | 116.8 Ų | 116.8 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 176.9 | -73.1 | 175.7 | 178.4 | 175.7 | 0 | 112.4 | E138 E144 E145 Q146 | E138-K142 WeakPolarHBondContact O-CB 3.37Å; E138-K142 WeakPolarHBondContact O-CG 3.41Å; E138-K142 PolarHBondContact O-N 2.85Å; K142-E144 VanDerWaalsContact C-N 3.32Å; K142-E144 PolarHBondContact O-N 3.33Å; K142-E145 PolarHBondContact O-N 2.74Å; K142-Q146 WeakPolarHBondContact O-CB 3.4Å; K142-Q146 VanDerWaalsContact O-CG 3.29Å; K142-Q146 WeakPolarHBondContact O-CG 3.29Å; K142-Q146 PolarHBondContact O-N 3.31Å |
| 143 | K | 89.4 | Confident | 87.8 | Confident | 104 Ų | 104 | 117.5 Ų | 117.5 | 45% | 0.452 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.7 | -20.6 | 173.9 | -76.7 | 172.9 | 173 | 176.2 | 0 | 114 | E139 Q140 R141 K147 | E139-K143 HydrophobicContact CG-CD 4.29Å; E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.25Å; E139-K143 VanDerWaalsContact O-CG 3.28Å; E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 WeakPolarHBondContact OE1-CE 3.45Å; E139-K143 IonicContact OE1-NZ 2.58Å; E139-K143 PolarHBondContact OE1-NZ 3.39Å; Q140-K143 PolarHBondContact O-N 3.27Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 2.87Å; K143-K147 VanDerWaalsContact O-CD 3.27Å; K143-K147 WeakPolarHBondContact O-CD 3.32Å; K143-K147 WeakPolarHBondContact O-CE 3.47Å; K143-K147 VanDerWaalsContact O-CG 3.29Å; K143-K147 WeakPolarHBondContact O-CG 3.45Å |
| 144 | E | 88.9 | Confident | 88.2 | Confident | 97 Ų | 97 | 116.9 Ų | 116.9 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -83 | -43.8 | 168.9 | -161.5 | -165.7 | 142.1 | 0 | 0 | 110.9 | Q140 R141 K142 Q146 K147 R148 | Q140-E144 PolarHBondContact O-N 3.32Å; R141-E144 WeakPolarHBondContact O-CB 3.44Å; R141-E144 PolarHBondContact O-N 2.89Å; K142-E144 VanDerWaalsContact C-N 3.32Å; K142-E144 PolarHBondContact O-N 3.33Å; E144-Q146 PolarHBondContact O-N 3.13Å; E144-K147 WeakPolarHBondContact O-CA 3.45Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 3.34Å; E144-R148 WeakPolarHBondContact O-CG 3.34Å; E144-R148 PolarHBondContact O-N 2.98Å; E144-R148 IonicContact OE1-CZ 2.79Å; E144-R148 IonicContact OE1-NE 2.61Å; E144-R148 PolarHBondContact OE1-NE 2.78Å; E144-R148 IonicContact OE1-NH2 2.63Å; E144-R148 PolarHBondContact OE1-NH2 3.08Å |
| 145 | E | 87.9 | Confident | 88.5 | Confident | 110 Ų | 110 | 120 Ų | 120 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 175.9 | -176.4 | 171.6 | -141.6 | 0 | 0 | 111.9 | R141 K142 K147 R148 L149 | R141-E145 WeakPolarHBondContact O-CB 3.32Å; R141-E145 PolarHBondContact O-N 2.69Å; K142-E145 PolarHBondContact O-N 2.74Å; E145-K147 PolarHBondContact O-N 2.64Å; E145-R148 WeakPolarHBondContact O-CB 3.33Å; E145-R148 PolarHBondContact O-N 2.89Å; E145-R148 VanDerWaalsContact O-N 3.08Å; E145-L149 HydrophobicContact CG-CD1 4.15Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 WeakPolarHBondContact O-CG 3.32Å; E145-L149 PolarHBondContact O-N 3.06Å |
| 146 | Q | 79.7 | Confident | 88.5 | Confident | 131 Ų | 131 | 118.7 Ų | 118.7 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.2 | -36.7 | 172.3 | -76.8 | 175.1 | -20.6 | 0 | 0 | 113 | K142 E144 A150 | K142-Q146 WeakPolarHBondContact O-CB 3.4Å; K142-Q146 VanDerWaalsContact O-CG 3.29Å; K142-Q146 WeakPolarHBondContact O-CG 3.29Å; K142-Q146 PolarHBondContact O-N 3.31Å; E144-Q146 PolarHBondContact O-N 3.13Å; Q146-A150 VanDerWaalsContact O-CB 3.31Å; Q146-A150 WeakPolarHBondContact O-CB 3.17Å; Q146-A150 PolarHBondContact O-N 3.03Å |
| 147 | K | 91.1 | Very high | 88.7 | Confident | 146 Ų | 146 | 116.1 Ų | 116.1 | 64% | 0.635 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.1 | -37.5 | 176.2 | -67.9 | 168.9 | -172.7 | 174.3 | 0 | 111.9 | K143 E144 E145 V151 | K143-K147 VanDerWaalsContact O-CD 3.27Å; K143-K147 WeakPolarHBondContact O-CD 3.32Å; K143-K147 WeakPolarHBondContact O-CE 3.47Å; K143-K147 VanDerWaalsContact O-CG 3.29Å; K143-K147 WeakPolarHBondContact O-CG 3.45Å; E144-K147 WeakPolarHBondContact O-CA 3.45Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 3.34Å; E145-K147 PolarHBondContact O-N 2.64Å; K147-V151 WeakPolarHBondContact O-CB 3.18Å; K147-V151 VanDerWaalsContact O-CG2 3.26Å; K147-V151 WeakPolarHBondContact O-CG2 3.48Å; K147-V151 PolarHBondContact O-N 3.38Å; K147-V151 VanDerWaalsContact O-N 3.07Å |
| 148 | R | 86.6 | Confident | 88.9 | Confident | 163 Ų | 163 | 117.8 Ų | 117.8 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -49.4 | 174.4 | -69.3 | 173 | 177.1 | -144 | 5.7 | 110.2 | E144 E145 V151 E152 | E144-R148 WeakPolarHBondContact O-CG 3.34Å; E144-R148 PolarHBondContact O-N 2.98Å; E144-R148 IonicContact OE1-CZ 2.79Å; E144-R148 IonicContact OE1-NE 2.61Å; E144-R148 PolarHBondContact OE1-NE 2.78Å; E144-R148 IonicContact OE1-NH2 2.63Å; E144-R148 PolarHBondContact OE1-NH2 3.08Å; E145-R148 WeakPolarHBondContact O-CB 3.33Å; E145-R148 PolarHBondContact O-N 2.89Å; E145-R148 VanDerWaalsContact O-N 3.08Å; R148-V151 PolarHBondContact O-N 3.2Å; R148-E152 WeakPolarHBondContact O-CB 3.49Å; R148-E152 PolarHBondContact O-N 2.98Å |
| 149 | L | 89.8 | Confident | 88.9 | Confident | 100 Ų | 100 | 119 Ų | 119 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 177.1 | -69 | 171.7 | 0 | 0 | 0 | 112 | E145 V151 E152 E153 | E145-L149 HydrophobicContact CG-CD1 4.15Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 WeakPolarHBondContact O-CG 3.32Å; E145-L149 PolarHBondContact O-N 3.06Å; L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.08Å; L149-E152 PolarHBondContact O-N 3.25Å; L149-E153 WeakPolarHBondContact O-CB 3.32Å; L149-E153 PolarHBondContact O-N 2.63Å |
| 150 | A | 91.1 | Very high | 88.9 | Confident | 48 Ų | 48 | 118.7 Ų | 118.7 | 40% | 0.397 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -33.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q146 K154 | Q146-A150 VanDerWaalsContact O-CB 3.31Å; Q146-A150 WeakPolarHBondContact O-CB 3.17Å; Q146-A150 PolarHBondContact O-N 3.03Å; A150-K154 WeakPolarHBondContact O-CB 3.38Å; A150-K154 WeakPolarHBondContact O-CG 3.5Å; A150-K154 PolarHBondContact O-N 2.71Å |
| 151 | V | 95.1 | Very high | 89.2 | Confident | 104 Ų | 104 | 118.1 Ų | 118.1 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.7 | -36.5 | 173.9 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | K147 R148 L149 R155 | K147-V151 WeakPolarHBondContact O-CB 3.18Å; K147-V151 VanDerWaalsContact O-CG2 3.26Å; K147-V151 WeakPolarHBondContact O-CG2 3.48Å; K147-V151 PolarHBondContact O-N 3.38Å; K147-V151 VanDerWaalsContact O-N 3.07Å; R148-V151 PolarHBondContact O-N 3.2Å; L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.08Å; V151-R155 WeakPolarHBondContact O-CB 3.27Å; V151-R155 PolarHBondContact O-N 3.16Å |
| 152 | E | 91.1 | Very high | 89.2 | Confident | 130 Ų | 130 | 115.6 Ų | 115.6 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.6 | -41.9 | 175.6 | -175.8 | 156.5 | -135 | 0 | 0 | 111.9 | R148 L149 R155 K156 | R148-E152 WeakPolarHBondContact O-CB 3.49Å; R148-E152 PolarHBondContact O-N 2.98Å; L149-E152 PolarHBondContact O-N 3.25Å; E152-R155 WeakPolarHBondContact O-CB 3.45Å; E152-R155 PolarHBondContact O-N 3.24Å; E152-K156 WeakPolarHBondContact O-CB 3.15Å; E152-K156 PolarHBondContact O-N 3.4Å |
| 153 | E | 91.1 | Very high | 89.8 | Confident | 108 Ų | 108 | 116.5 Ų | 116.5 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 170.7 | -169.8 | -159.3 | 147.7 | 0 | 0 | 110.9 | L149 R155 K156 Q157 | L149-E153 WeakPolarHBondContact O-CB 3.32Å; L149-E153 PolarHBondContact O-N 2.63Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 PolarHBondContact O-N 3.31Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.16Å; E153-Q157 WeakPolarHBondContact O-CB 3.41Å; E153-Q157 WeakPolarHBondContact O-CG 3.46Å; E153-Q157 PolarHBondContact O-N 3.33Å; E153-Q157 PolarHBondContact OE1-NE2 2.86Å |
| 154 | K | 91.3 | Very high | 90 | Very high | 136 Ų | 136 | 117.5 Ų | 117.5 | 59% | 0.591 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -32.8 | 176 | -79.9 | -73.8 | 160.7 | -152 | 0 | 113.2 | A150 K158 | A150-K154 WeakPolarHBondContact O-CB 3.38Å; A150-K154 WeakPolarHBondContact O-CG 3.5Å; A150-K154 PolarHBondContact O-N 2.71Å; K154-K158 PolarHBondContact O-N 3.24Å |
| 155 | R | 86.7 | Confident | 90.3 | Very high | 176 Ų | 176 | 119.2 Ų | 119.2 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.7 | -41.9 | 172.6 | -175.4 | -178.2 | -176 | 176 | 3.1 | 111.5 | V151 E152 E153 K158 Q159 | V151-R155 WeakPolarHBondContact O-CB 3.27Å; V151-R155 PolarHBondContact O-N 3.16Å; E152-R155 WeakPolarHBondContact O-CB 3.45Å; E152-R155 PolarHBondContact O-N 3.24Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 PolarHBondContact O-N 3.31Å; R155-K158 PolarHBondContact O-N 2.8Å; R155-Q159 WeakPolarHBondContact O-CG 3.38Å; R155-Q159 PolarHBondContact O-N 2.77Å |
| 156 | K | 92.5 | Very high | 90.6 | Very high | 123 Ų | 123 | 121 Ų | 121 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -48.8 | 176.8 | -171.7 | -164.3 | 170.5 | -153.2 | 0 | 110.9 | E152 E153 K158 Q159 E160 | E152-K156 WeakPolarHBondContact O-CB 3.15Å; E152-K156 PolarHBondContact O-N 3.4Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-K156 VanDerWaalsContact O-N 3.16Å; K156-K158 VanDerWaalsContact C-N 3.3Å; K156-K158 PolarHBondContact O-N 2.99Å; K156-Q159 CarbonylContact O-C 3.57Å; K156-Q159 WeakPolarHBondContact O-CA 3.3Å; K156-Q159 WeakPolarHBondContact O-CB 3.47Å; K156-Q159 PolarHBondContact O-N 3.04Å; K156-E160 IonicContact NZ-OE2 3.42Å; K156-E160 WeakPolarHBondContact O-CB 3.39Å; K156-E160 PolarHBondContact O-N 2.76Å |
| 157 | Q | 91 | Very high | 91.3 | Very high | 53 Ų | 53 | 118.5 Ų | 118.5 | 25% | 0.248 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -51.9 | -47.7 | 175.3 | -78 | 166.7 | -2.2 | 0 | 0 | 111.2 | E153 Q159 E160 E161 | E153-Q157 WeakPolarHBondContact O-CB 3.41Å; E153-Q157 WeakPolarHBondContact O-CG 3.46Å; E153-Q157 PolarHBondContact O-N 3.33Å; E153-Q157 PolarHBondContact OE1-NE2 2.86Å; Q157-Q159 VanDerWaalsContact C-N 3.32Å; Q157-Q159 PolarHBondContact O-N 3.09Å; Q157-E160 WeakPolarHBondContact O-CB 3.39Å; Q157-E160 PolarHBondContact O-N 3.38Å; Q157-E160 VanDerWaalsContact O-N 3.11Å; Q157-E161 WeakPolarHBondContact O-CB 3.36Å; Q157-E161 VanDerWaalsContact O-CG 3.28Å; Q157-E161 WeakPolarHBondContact O-CG 3.24Å; Q157-E161 PolarHBondContact O-N 2.81Å |
| 158 | K | 89.9 | Confident | 91.5 | Very high | 135 Ų | 135 | 114 Ų | 114 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -37.1 | 175.6 | -177.1 | 172.3 | 178.2 | 178.4 | 0 | 113.6 | K154 R155 K156 E160 E162 | K154-K158 PolarHBondContact O-N 3.24Å; R155-K158 PolarHBondContact O-N 2.8Å; K156-K158 VanDerWaalsContact C-N 3.3Å; K156-K158 PolarHBondContact O-N 2.99Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E162 VanDerWaalsContact O-CB 3.25Å; K158-E162 WeakPolarHBondContact O-CB 3.37Å; K158-E162 PolarHBondContact O-N 3.49Å |
| 159 | Q | 85 | Confident | 92 | Very high | 114 Ų | 114 | 109.3 Ų | 109.3 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72 | -29.6 | 176.3 | -69.4 | 179.8 | -51.2 | 0 | 0 | 112.4 | R155 K156 Q157 K163 | R155-Q159 WeakPolarHBondContact O-CG 3.38Å; R155-Q159 PolarHBondContact O-N 2.77Å; K156-Q159 CarbonylContact O-C 3.57Å; K156-Q159 WeakPolarHBondContact O-CA 3.3Å; K156-Q159 WeakPolarHBondContact O-CB 3.47Å; K156-Q159 PolarHBondContact O-N 3.04Å; Q157-Q159 VanDerWaalsContact C-N 3.32Å; Q157-Q159 PolarHBondContact O-N 3.09Å; Q159-K163 VanDerWaalsContact O-CB 3.3Å; Q159-K163 WeakPolarHBondContact O-CB 3.23Å; Q159-K163 PolarHBondContact O-N 3.03Å |
| 160 | E | 88.9 | Confident | 92.2 | Very high | 83 Ų | 83 | 108.6 Ų | 108.6 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.9 | -48.1 | 175.3 | -158.4 | 141.4 | -138.3 | 0 | 0 | 110 | K156 Q157 K158 E162 K163 E164 | K156-E160 IonicContact NZ-OE2 3.42Å; K156-E160 WeakPolarHBondContact O-CB 3.39Å; K156-E160 PolarHBondContact O-N 2.76Å; Q157-E160 WeakPolarHBondContact O-CB 3.39Å; Q157-E160 PolarHBondContact O-N 3.38Å; Q157-E160 VanDerWaalsContact O-N 3.11Å; K158-E160 VanDerWaalsContact C-N 3.33Å; E160-E162 PolarHBondContact O-N 3.33Å; E160-K163 WeakPolarHBondContact O-CB 3.39Å; E160-K163 PolarHBondContact O-N 2.81Å; E160-E164 WeakPolarHBondContact O-CB 3.43Å; E160-E164 WeakPolarHBondContact O-CG 3.4Å; E160-E164 PolarHBondContact O-N 2.89Å |
| 161 | E | 91.7 | Very high | 92.4 | Very high | 118 Ų | 118 | 114.4 Ų | 114.4 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -55.6 | -43.8 | 169.8 | -70.3 | 164.3 | -166.4 | 0 | 0 | 112.5 | Q157 E164 H165 | Q157-E161 WeakPolarHBondContact O-CB 3.36Å; Q157-E161 VanDerWaalsContact O-CG 3.28Å; Q157-E161 WeakPolarHBondContact O-CG 3.24Å; Q157-E161 PolarHBondContact O-N 2.81Å; E161-E164 PolarHBondContact O-N 2.99Å; E161-H165 VanDerWaalsContact O-CB 3.27Å; E161-H165 WeakPolarHBondContact O-CB 3.46Å; E161-H165 PolarHBondContact O-N 3.38Å |
| 162 | E | 92.6 | Very high | 92.4 | Very high | 129 Ų | 129 | 118.4 Ų | 118.4 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -37.8 | 178.1 | -175.5 | 170.4 | -170.1 | 0 | 0 | 111.9 | K158 E160 Y166 | K158-E162 VanDerWaalsContact O-CB 3.25Å; K158-E162 WeakPolarHBondContact O-CB 3.37Å; K158-E162 PolarHBondContact O-N 3.49Å; E160-E162 PolarHBondContact O-N 3.33Å; E162-Y166 WeakPolarHBondContact O-CB 3.33Å; E162-Y166 PolarHBondContact O-N 2.83Å |
| 163 | K | 94.1 | Very high | 92.5 | Very high | 138 Ų | 138 | 116.1 Ų | 116.1 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -45.4 | 173.7 | 179.1 | -166.8 | 168.5 | -158.3 | 0 | 111.7 | Q159 E160 Y166 E167 | Q159-K163 VanDerWaalsContact O-CB 3.3Å; Q159-K163 WeakPolarHBondContact O-CB 3.23Å; Q159-K163 PolarHBondContact O-N 3.03Å; E160-K163 WeakPolarHBondContact O-CB 3.39Å; E160-K163 PolarHBondContact O-N 2.81Å; K163-Y166 PolarHBondContact O-N 2.66Å; K163-E167 PolarHBondContact O-N 3.26Å |
| 164 | E | 94.3 | Very high | 92.6 | Very high | 126 Ų | 126 | 116 Ų | 116 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 175.9 | -75.7 | -177 | 178.4 | 0 | 0 | 111.5 | E160 E161 E167 A168 | E160-E164 WeakPolarHBondContact O-CB 3.43Å; E160-E164 WeakPolarHBondContact O-CG 3.4Å; E160-E164 PolarHBondContact O-N 2.89Å; E161-E164 PolarHBondContact O-N 2.99Å; E164-E167 PolarHBondContact O-N 2.8Å; E164-A168 VanDerWaalsContact O-CB 3.32Å; E164-A168 WeakPolarHBondContact O-CB 3.08Å; E164-A168 PolarHBondContact O-N 3.45Å |
| 165 | H | 94.1 | Very high | 92.6 | Very high | 132 Ų | 132 | 113.6 Ų | 113.6 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 173.9 | 176.7 | -92.4 | 0 | 0 | 0 | 111.7 | E161 A168 V169 | E161-H165 VanDerWaalsContact O-CB 3.27Å; E161-H165 WeakPolarHBondContact O-CB 3.46Å; E161-H165 PolarHBondContact O-N 3.38Å; H165-A168 PolarHBondContact O-N 3.25Å; H165-V169 WeakPolarHBondContact O-CG2 3.33Å; H165-V169 PolarHBondContact O-N 2.87Å |
| 166 | Y | 95.4 | Very high | 92.9 | Very high | 148 Ų | 148 | 114.2 Ų | 114.2 | 58% | 0.58 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 173.6 | 176.1 | -101 | 0 | 0 | 0 | 111.9 | E162 K163 V169 M170 | E162-Y166 WeakPolarHBondContact O-CB 3.33Å; E162-Y166 PolarHBondContact O-N 2.83Å; K163-Y166 PolarHBondContact O-N 2.66Å; Y166-V169 PolarHBondContact O-N 3.13Å; Y166-M170 HydrophobicContact CD1-CG 4.37Å; Y166-M170 HydrophobicContact CE1-CG 3.89Å; Y166-M170 HydrophobicContact CE2-CG 4.27Å; Y166-M170 HydrophobicContact CE2-SD 4.48Å; Y166-M170 WeakPolarHBondContact O-CG 3.43Å; Y166-M170 PolarHBondContact O-N 3.48Å |
| 167 | E | 94.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 112 Ų | 112 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.8 | -162.9 | -174 | 139.5 | 0 | 0 | 111.8 | K163 E164 V169 M170 R171 | K163-E167 PolarHBondContact O-N 3.26Å; E164-E167 PolarHBondContact O-N 2.8Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.32Å; E167-M170 PolarHBondContact O-N 3.05Å; E167-M170 VanDerWaalsContact O-N 3.17Å; E167-R171 HydrophobicContact CG-CG 4.5Å; E167-R171 WeakPolarHBondContact O-CB 3.47Å; E167-R171 WeakPolarHBondContact O-CG 3.45Å; E167-R171 PolarHBondContact O-N 3.13Å; E167-R171 IonicContact OE1-CZ 3.15Å; E167-R171 IonicContact OE1-NE 3.97Å; E167-R171 PolarHBondContact OE1-NE 3.03Å; E167-R171 IonicContact OE1-NH2 2.64Å; E167-R171 PolarHBondContact OE1-NH2 3.02Å |
| 168 | A | 94.3 | Very high | 92.8 | Very high | 53 Ų | 53 | 114.9 Ų | 114.9 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E164 H165 R172 | E164-A168 VanDerWaalsContact O-CB 3.32Å; E164-A168 WeakPolarHBondContact O-CB 3.08Å; E164-A168 PolarHBondContact O-N 3.45Å; H165-A168 PolarHBondContact O-N 3.25Å; A168-R172 WeakPolarHBondContact O-CB 3.48Å; A168-R172 PolarHBondContact O-N 3.34Å |
| 169 | V | 96.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 115.4 Ų | 115.4 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 171.8 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | H165 Y166 E167 T173 | H165-V169 WeakPolarHBondContact O-CG2 3.33Å; H165-V169 PolarHBondContact O-N 2.87Å; Y166-V169 PolarHBondContact O-N 3.13Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.32Å; V169-T173 WeakPolarHBondContact O-CB 3.36Å; V169-T173 PolarHBondContact O-N 3.36Å; V169-T173 PolarHBondContact O-OG1 2.83Å |
| 170 | M | 95.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 114 Ų | 114 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -48.7 | 175.5 | -71.8 | -63.5 | -69 | 0 | 0 | 111.8 | Y166 E167 R172 T173 L174 | Y166-M170 HydrophobicContact CD1-CG 4.37Å; Y166-M170 HydrophobicContact CE1-CG 3.89Å; Y166-M170 HydrophobicContact CE2-CG 4.27Å; Y166-M170 HydrophobicContact CE2-SD 4.48Å; Y166-M170 WeakPolarHBondContact O-CG 3.43Å; Y166-M170 PolarHBondContact O-N 3.48Å; E167-M170 PolarHBondContact O-N 3.05Å; E167-M170 VanDerWaalsContact O-N 3.17Å; M170-R172 PolarHBondContact O-N 2.9Å; M170-T173 PolarHBondContact O-N 3.38Å; M170-T173 VanDerWaalsContact O-N 3.11Å; M170-L174 WeakPolarHBondContact O-CG 3.28Å; M170-L174 PolarHBondContact O-N 3.49Å |
| 171 | R | 94 | Very high | 92.3 | Very high | 169 Ų | 169 | 114.4 Ų | 114.4 | 64% | 0.638 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.4 | -47.8 | 175.2 | -71.4 | 178.2 | -178.3 | -143.7 | 7.5 | 111.5 | E167 T173 L174 E175 | E167-R171 HydrophobicContact CG-CG 4.5Å; E167-R171 WeakPolarHBondContact O-CB 3.47Å; E167-R171 WeakPolarHBondContact O-CG 3.45Å; E167-R171 PolarHBondContact O-N 3.13Å; E167-R171 IonicContact OE1-CZ 3.15Å; E167-R171 IonicContact OE1-NE 3.97Å; E167-R171 PolarHBondContact OE1-NE 3.03Å; E167-R171 IonicContact OE1-NH2 2.64Å; E167-R171 PolarHBondContact OE1-NH2 3.02Å; R171-T173 VanDerWaalsContact C-N 3.29Å; R171-T173 PolarHBondContact O-N 3.34Å; R171-L174 PolarHBondContact O-N 2.89Å; R171-E175 WeakPolarHBondContact O-CB 3.23Å; R171-E175 PolarHBondContact O-N 3.42Å |
| 172 | R | 95.7 | Very high | 91.7 | Very high | 189 Ų | 189 | 115 Ų | 115 | 71% | 0.713 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.1 | -34.4 | 175.1 | 175.7 | -178.4 | -99.3 | 179.7 | -4.8 | 112.6 | A168 M170 R176 | A168-R172 WeakPolarHBondContact O-CB 3.48Å; A168-R172 PolarHBondContact O-N 3.34Å; M170-R172 PolarHBondContact O-N 2.9Å; R172-R176 VanDerWaalsContact O-CB 3.31Å; R172-R176 WeakPolarHBondContact O-CB 3.42Å; R172-R176 PolarHBondContact O-N 3.45Å |
| 173 | T | 93.6 | Very high | 90.9 | Very high | 82 Ų | 82 | 117.3 Ų | 117.3 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.8 | -43.6 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | V169 M170 R171 R176 S177 | V169-T173 WeakPolarHBondContact O-CB 3.36Å; V169-T173 PolarHBondContact O-N 3.36Å; V169-T173 PolarHBondContact O-OG1 2.83Å; M170-T173 PolarHBondContact O-N 3.38Å; M170-T173 VanDerWaalsContact O-N 3.11Å; R171-T173 VanDerWaalsContact C-N 3.29Å; R171-T173 PolarHBondContact O-N 3.34Å; T173-R176 PolarHBondContact O-N 2.89Å; T173-S177 PolarHBondContact O-N 2.85Å |
| 174 | L | 91.8 | Very high | 89.8 | Confident | 104 Ų | 104 | 117.1 Ų | 117.1 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 172.3 | -69.7 | 168.8 | 0 | 0 | 0 | 111.5 | M170 R171 R176 S177 Q178 | M170-L174 WeakPolarHBondContact O-CG 3.28Å; M170-L174 PolarHBondContact O-N 3.49Å; R171-L174 PolarHBondContact O-N 2.89Å; L174-R176 PolarHBondContact O-N 3.21Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 3.34Å; L174-S177 VanDerWaalsContact O-N 3.15Å; L174-Q178 WeakPolarHBondContact O-CG 3.18Å; L174-Q178 PolarHBondContact O-N 2.84Å |
| 175 | E | 92.3 | Very high | 88.7 | Confident | 87 Ų | 87 | 117.3 Ų | 117.3 | 41% | 0.407 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.8 | -166.2 | -160.2 | -178 | 0 | 0 | 111.8 | R171 S177 Q178 R179 | R171-E175 WeakPolarHBondContact O-CB 3.23Å; R171-E175 PolarHBondContact O-N 3.42Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 3.24Å; E175-Q178 PolarHBondContact O-N 2.98Å; E175-R179 WeakPolarHBondContact O-CB 3.5Å; E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å; E175-R179 PolarHBondContact O-N 3.2Å; E175-R179 IonicContact OE1-CZ 2.67Å; E175-R179 IonicContact OE1-NE 2.59Å; E175-R179 PolarHBondContact OE1-NE 3.27Å; E175-R179 IonicContact OE1-NH2 3.18Å; E175-R179 PolarHBondContact OE1-NH2 3.27Å; E175-R179 IonicContact OE2-NH2 3.67Å |
| 176 | R | 93.1 | Very high | 87 | Confident | 189 Ų | 189 | 120.2 Ų | 120.2 | 71% | 0.713 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.1 | -40.3 | 174.5 | -176.7 | 176.7 | 179.2 | 171 | 0.4 | 111.3 | R172 T173 L174 R179 V180 | R172-R176 VanDerWaalsContact O-CB 3.31Å; R172-R176 WeakPolarHBondContact O-CB 3.42Å; R172-R176 PolarHBondContact O-N 3.45Å; T173-R176 PolarHBondContact O-N 2.89Å; L174-R176 PolarHBondContact O-N 3.21Å; R176-R179 PolarHBondContact O-N 2.58Å; R176-V180 VanDerWaalsContact O-CG2 3.3Å; R176-V180 WeakPolarHBondContact O-CG2 3.41Å; R176-V180 PolarHBondContact O-N 2.96Å |
| 177 | S | 91.5 | Very high | 85.1 | Confident | 75 Ų | 75 | 122.8 Ų | 122.8 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -49.9 | 175.9 | -159.1 | 0 | 0 | 0 | 0 | 111.4 | T173 L174 E175 R179 V180 E181 | T173-S177 PolarHBondContact O-N 2.85Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 3.34Å; L174-S177 VanDerWaalsContact O-N 3.15Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 3.24Å; S177-R179 VanDerWaalsContact C-N 3.35Å; S177-R179 PolarHBondContact O-N 3.14Å; S177-V180 WeakPolarHBondContact O-CB 3.38Å; S177-V180 PolarHBondContact O-N 2.85Å; S177-V180 VanDerWaalsContact O-N 3.08Å; S177-E181 PolarHBondContact O-N 3.03Å |
| 178 | Q | 89 | Confident | 83.4 | Confident | 114 Ų | 114 | 123.2 Ų | 123.2 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.9 | -41.7 | 176.9 | -68.2 | 177 | 29.9 | 0 | 0 | 112.3 | L174 E175 V180 E181 Q182 | L174-Q178 WeakPolarHBondContact O-CG 3.18Å; L174-Q178 PolarHBondContact O-N 2.84Å; E175-Q178 PolarHBondContact O-N 2.98Å; Q178-V180 VanDerWaalsContact C-N 3.31Å; Q178-V180 PolarHBondContact O-N 3.1Å; Q178-E181 PolarHBondContact O-N 3.28Å; Q178-Q182 WeakPolarHBondContact O-CB 3.22Å; Q178-Q182 VanDerWaalsContact O-CG 3.32Å; Q178-Q182 WeakPolarHBondContact O-CG 3.44Å; Q178-Q182 PolarHBondContact O-N 2.84Å |
| 179 | R | 86.6 | Confident | 81.4 | Confident | 147 Ų | 147 | 131.8 Ų | 131.8 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65 | -30.8 | 175.4 | -72 | 174.1 | 178.3 | -141.4 | 6.4 | 112.8 | E175 R176 S177 R183 | E175-R179 WeakPolarHBondContact O-CB 3.5Å; E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.47Å; E175-R179 PolarHBondContact O-N 3.2Å; E175-R179 IonicContact OE1-CZ 2.67Å; E175-R179 IonicContact OE1-NE 2.59Å; E175-R179 PolarHBondContact OE1-NE 3.27Å; E175-R179 IonicContact OE1-NH2 3.18Å; E175-R179 PolarHBondContact OE1-NH2 3.27Å; E175-R179 IonicContact OE2-NH2 3.67Å; R176-R179 PolarHBondContact O-N 2.58Å; S177-R179 VanDerWaalsContact C-N 3.35Å; S177-R179 PolarHBondContact O-N 3.14Å; R179-R183 WeakPolarHBondContact O-CB 3.32Å; R179-R183 WeakPolarHBondContact O-CG 3.28Å; R179-R183 PolarHBondContact O-N 3.47Å; R179-R183 VanDerWaalsContact O-N 3.17Å |
| 180 | V | 83.9 | Confident | 79.4 | Confident | 85 Ų | 85 | 132.5 Ų | 132.5 | 52% | 0.515 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.7 | -45.5 | 173 | 168.4 | 0 | 0 | 0 | 0 | 110.4 | R176 S177 Q178 Q182 R183 Q184 | R176-V180 VanDerWaalsContact O-CG2 3.3Å; R176-V180 WeakPolarHBondContact O-CG2 3.41Å; R176-V180 PolarHBondContact O-N 2.96Å; S177-V180 WeakPolarHBondContact O-CB 3.38Å; S177-V180 PolarHBondContact O-N 2.85Å; S177-V180 VanDerWaalsContact O-N 3.08Å; Q178-V180 VanDerWaalsContact C-N 3.31Å; Q178-V180 PolarHBondContact O-N 3.1Å; V180-Q182 PolarHBondContact O-N 2.6Å; V180-R183 WeakPolarHBondContact O-CB 3.46Å; V180-R183 PolarHBondContact O-N 2.81Å; V180-R183 VanDerWaalsContact O-N 3.14Å; V180-Q184 PolarHBondContact O-N 3.34Å |
| 181 | E | 82.6 | Confident | 77.1 | Confident | 91 Ų | 91 | 131.4 Ų | 131.4 | 43% | 0.425 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.3 | -40.8 | 178.5 | -161.9 | -168.4 | 135.7 | 0 | 0 | 112.3 | S177 Q178 R183 Q184 K185 | S177-E181 PolarHBondContact O-N 3.03Å; Q178-E181 PolarHBondContact O-N 3.28Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 2.88Å; E181-Q184 WeakPolarHBondContact O-CB 3.39Å; E181-Q184 PolarHBondContact O-N 2.83Å; E181-K185 HydrophobicContact CG-CD 4.49Å; E181-K185 WeakPolarHBondContact O-CB 3.32Å; E181-K185 WeakPolarHBondContact O-CG 3.23Å; E181-K185 PolarHBondContact O-N 3.22Å; E181-K185 WeakPolarHBondContact OE1-CE 3.27Å; E181-K185 IonicContact OE1-NZ 3.15Å; E181-K185 PolarHBondContact OE1-NZ 3.04Å |
| 182 | Q | 79.6 | Confident | 74.9 | Confident | 130 Ų | 130 | 131.6 Ų | 131.6 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.6 | -38.3 | 171.4 | -73.9 | 177.1 | 5.1 | 0 | 0 | 112.2 | Q178 V180 K185 R186 | Q178-Q182 WeakPolarHBondContact O-CB 3.22Å; Q178-Q182 VanDerWaalsContact O-CG 3.32Å; Q178-Q182 WeakPolarHBondContact O-CG 3.44Å; Q178-Q182 PolarHBondContact O-N 2.84Å; V180-Q182 PolarHBondContact O-N 2.6Å; Q182-K185 PolarHBondContact O-N 3.27Å; Q182-R186 PolarHBondContact O-N 3.32Å |
| 183 | R | 76.3 | Confident | 72.3 | Confident | 177 Ų | 177 | 128.9 Ų | 128.9 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.4 | -38.9 | 173.6 | -83.1 | 178.3 | 169.7 | -116.8 | -1.1 | 112.1 | R179 V180 E181 R186 W187 | R179-R183 WeakPolarHBondContact O-CB 3.32Å; R179-R183 WeakPolarHBondContact O-CG 3.28Å; R179-R183 PolarHBondContact O-N 3.47Å; R179-R183 VanDerWaalsContact O-N 3.17Å; V180-R183 WeakPolarHBondContact O-CB 3.46Å; V180-R183 PolarHBondContact O-N 2.81Å; V180-R183 VanDerWaalsContact O-N 3.14Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 2.88Å; R183-R186 PolarHBondContact O-N 2.85Å; R183-W187 PolarHBondContact O-N 2.61Å |
| 184 | Q | 71.8 | Confident | 70 | Confident | 135 Ų | 135 | 128.1 Ų | 128.1 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.8 | -47.2 | 173.6 | -173.1 | 174.9 | -5.1 | 0 | 0 | 110.8 | V180 E181 R186 W187 S188 | V180-Q184 PolarHBondContact O-N 3.34Å; E181-Q184 WeakPolarHBondContact O-CB 3.39Å; E181-Q184 PolarHBondContact O-N 2.83Å; Q184-R186 PolarHBondContact O-N 3.48Å; Q184-W187 PolarHBondContact O-N 3.2Å; Q184-S188 PolarHBondContact O-N 3.27Å; Q184-S188 PolarHBondContact O-OG 3.46Å |
| 185 | K | 70.6 | Confident | 67.4 | Low | 129 Ų | 129 | 131.5 Ų | 131.5 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.8 | -18.5 | 174.1 | -72.6 | 168.1 | 171.7 | 172.4 | 0 | 114.2 | E181 Q182 S188 | E181-K185 HydrophobicContact CG-CD 4.49Å; E181-K185 WeakPolarHBondContact O-CB 3.32Å; E181-K185 WeakPolarHBondContact O-CG 3.23Å; E181-K185 PolarHBondContact O-N 3.22Å; E181-K185 WeakPolarHBondContact OE1-CE 3.27Å; E181-K185 IonicContact OE1-NZ 3.15Å; E181-K185 PolarHBondContact OE1-NZ 3.04Å; Q182-K185 PolarHBondContact O-N 3.27Å; K185-S188 WeakPolarHBondContact CA-OG 3.41Å; K185-S188 PolarHBondContact O-OG 3.13Å |
| 186 | R | 59 | Low | 65 | Low | 193 Ų | 193 | 135.5 Ų | 135.5 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -90.4 | -22.4 | 171.8 | -168.6 | 178.5 | 178.3 | -77.5 | 0.8 | 113.5 | Q182 R183 Q184 | Q182-R186 PolarHBondContact O-N 3.32Å; R183-R186 PolarHBondContact O-N 2.85Å; Q184-R186 PolarHBondContact O-N 3.48Å |
| 187 | W | 54.9 | Low | 62.6 | Low | 202 Ų | 202 | 134 Ų | 134 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -92.9 | -16.1 | 174.7 | -84.9 | -22.4 | 0 | 0 | 0 | 113.6 | R183 Q184 W189 G190 | R183-W187 PolarHBondContact O-N 2.61Å; Q184-W187 PolarHBondContact O-N 3.2Å; W187-W189 PolarHBondContact O-N 3.43Å; W187-G190 PolarHBondContact O-N 2.76Å; W187-G190 VanDerWaalsContact O-N 3.07Å |
| 188 | S | 58.3 | Low | 60.1 | Low | 88 Ų | 88 | 134.2 Ų | 134.2 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 10.7 | 174.8 | 57.9 | 0 | 0 | 0 | 0 | 115.6 | Q184 K185 | Q184-S188 PolarHBondContact O-N 3.27Å; Q184-S188 PolarHBondContact O-OG 3.46Å; K185-S188 WeakPolarHBondContact CA-OG 3.41Å; K185-S188 PolarHBondContact O-OG 3.13Å |
| 189 | W | 52.7 | Low | 57.9 | Low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 0 | 167.8 | -74.4 | 92.6 | 0 | 0 | 0 | 112.9 | W187 G191 | W187-W189 PolarHBondContact O-N 3.43Å; W189-G191 PolarHBondContact O-N 2.95Å |
| 190 | G | 53.7 | Low | 55.7 | Low | 79 Ų | 79 | 139 Ų | 139 | 81% | 0.814 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -92.8 | 32.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116 | W187 | W187-G190 PolarHBondContact O-N 2.76Å; W187-G190 VanDerWaalsContact O-N 3.07Å |
| 191 | G | 47.5 | Very low | 53.5 | Low | 62 Ų | 62 | 138.6 Ų | 138.6 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 155.8 | 101.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | W189 | W189-G191 PolarHBondContact O-N 2.95Š|
| 192 | L | 47.7 | Very low | 51.2 | Low | 172 Ų | 172 | 141.8 Ų | 141.8 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | trans | 179.4 | 84.3 | 144.3 | -100.9 | 168.6 | 0 | 0 | 0 | 108.6 | ||||
| 193 | S | 42.4 | Very low | 49.4 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -159.6 | 112 | 168 | -69.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 194 | G | 44.6 | Very low | 47.3 | Very low | 65 Ų | 65 | 139.7 Ų | 139.7 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 174.3 | 141.7 | -10.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 195 | D | 36.8 | Very low | 45.8 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | -159.6 | 125.4 | 167.3 | -103.5 | -36.5 | 0 | 0 | 0 | 110.1 | ||||
| 196 | Q | 43.4 | Very low | 44.1 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -154.6 | 141.8 | 165.5 | 178.9 | 161 | 94.2 | 0 | 0 | 108.1 | ||||
| 197 | D | 42.8 | Very low | 43 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 68.4 | 131.4 | 176.9 | -61.2 | -33.2 | 0 | 0 | 0 | 118.7 | ||||
| 198 | G | 39.2 | Very low | 42.2 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 166.7 | 111.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 199 | R | 42.5 | Very low | 41.3 | Very low | 252 Ų | 252 | 130.1 Ų | 130.1 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -91.1 | 161.6 | 177.1 | -77 | -175.6 | 176.2 | -94.2 | 0.8 | 111.3 | ||||
| 200 | A | 40.7 | Very low | 41.5 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -53.2 | 148.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 201 | G | 37.6 | Very low | 40.6 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 179.1 | 77.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 202 | D | 33.9 | Very low | 40.1 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 59 | -161.1 | 152.9 | -137.8 | -27.7 | 0 | 0 | 0 | 118.7 | ||||
| 203 | S | 40.8 | Very low | 39.7 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -130 | 167.2 | -144.1 | -48.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 204 | D | 33 | Very low | 39.3 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 88.5 | 154.9 | 146.4 | -139.4 | -8.1 | 0 | 0 | 0 | 120.9 | ||||
| 205 | A | 39.2 | Very low | 38.9 | Very low | 77 Ų | 77 | 129 Ų | 129 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | 58.6 | 86.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 206 | S | 35.2 | Very low | 38.7 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 71.8 | 168.1 | 111.8 | -153.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 207 | I | 36.8 | Very low | 38.7 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | 69.4 | 130.5 | 169 | -49.6 | 161 | 0 | 0 | 0 | 114.2 | ||||
| 208 | S | 37.9 | Very low | 38.9 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -155.8 | 135.3 | -9 | -178.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 209 | S | 38.9 | Very low | 38.7 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 60.5 | 140 | 62 | -157.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 210 | P | 57.1 | Low | 39.2 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -139.6 | -168.7 | -41.4 | 41.1 | -25.5 | 0 | 0 | 0 | 113 | ||||
| 211 | V | 35.8 | Very low | 39 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 152.7 | 93.8 | 147.4 | 160.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 212 | A | 35.8 | Very low | 39.4 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | 59 | 110.8 | 65.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 213 | I | 40.4 | Very low | 40.5 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | -154.6 | 119.4 | 80.9 | -80.6 | 147.3 | 0 | 0 | 0 | 106.9 | |||||
| 214 | V | 33.9 | Very low | 41.1 | Very low | 114 Ų | 114 | 124 Ų | 124 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | 63.9 | 80.8 | 72.2 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 215 | V | 35.7 | Very low | 41.1 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | 66.8 | 120.2 | 95.9 | 171.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 216 | S | 33.1 | Very low | 40.8 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -165.5 | 114.3 | 141.1 | -86.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 217 | S | 41.7 | Very low | 40.9 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -117.8 | 152.7 | 141 | -56.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 218 | P | 47.5 | Very low | 40.7 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | -157.5 | 175.6 | 108.1 | 40.5 | -22.9 | 0 | 0 | 0 | 117.1 | |||||
| 219 | S | 36.2 | Very low | 40.7 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 87.7 | 152.3 | 142.4 | -76.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 220 | P | 51.9 | Low | 40.8 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -139.9 | 176.9 | -143.3 | 43 | -24.4 | 0 | 0 | 0 | 116.5 | ||||
| 221 | E | 35.7 | Very low | 40.1 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -147 | 173.1 | 153.8 | -127 | 171 | -177.8 | 0 | 0 | 113 | ||||
| 222 | K | 46.1 | Very low | 40.4 | Very low | 185 Ų | 185 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -155.2 | 174.6 | -162.1 | -79.3 | -179.5 | -179.6 | 173.4 | 0 | 109.6 | ||||
| 223 | P | 57.3 | Low | 40.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | cis | -125.5 | -148.7 | -41.8 | 38.3 | -18.6 | 0 | 0 | 0 | 107.7 | ||||
| 224 | P | 53.3 | Low | 40.4 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | cis | -138.8 | -179.9 | -7.5 | 41.7 | -22.5 | 0 | 0 | 0 | 117.9 | ||||
| 225 | R | 33 | Very low | 40.4 | Very low | 226 Ų | 226 | 143 Ų | 143 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 93.5 | 96.5 | 157.7 | -64.7 | -175.3 | -177.9 | 172.7 | 2.5 | 120 | ||||
| 226 | S | 33.8 | Very low | 40.5 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | 63.9 | 129.7 | 127.1 | 63.5 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 227 | G | 36.7 | Very low | 40.8 | Very low | 82 Ų | 82 | 142.3 Ų | 142.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 134.9 | 97 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 228 | Q | 33.3 | Very low | 40.8 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -81.2 | 143.3 | 173.6 | -170.2 | 176 | 17.1 | 0 | 0 | 110.6 | ||||
| 229 | A | 38 | Very low | 40.1 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | trans | -74 | 156.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 230 | D | 41.2 | Very low | 40.1 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | 46.6 | 92.1 | 153.9 | -67.7 | -56.6 | 0 | 0 | 0 | 119.7 | ||||
| 231 | K | 42.7 | Very low | 39.4 | Very low | 210 Ų | 210 | 151.9 Ų | 151.9 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -128.1 | 135.5 | 142.3 | -72.1 | -171.6 | 179.9 | 175.4 | 0 | 111.4 | S233 | K231-S233 PolarHBondContact O-N 3.2Š| ||
| 232 | R | 41.4 | Very low | 40.4 | Very low | 255 Ų | 255 | 147.2 Ų | 147.2 | 96% | 0.962 | 80% | 0.799 | S | S | * | * | trans | -56 | 121.8 | -176.3 | -62.6 | 162.5 | 170.7 | -126.8 | -2.2 | 112.3 | ||||
| 233 | S | 38.3 | Very low | 40.7 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -165.3 | 114.3 | 151.4 | -133.3 | 0 | 0 | 0 | 0 | 110.7 | K231 | K231-S233 PolarHBondContact O-N 3.2Š| ||
| 234 | T | 38 | Very low | 39.5 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -127.1 | 94.1 | 176.4 | 52.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 235 | S | 34.1 | Very low | 38.7 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -128.7 | 166.2 | 163.1 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 236 | T | 37.8 | Very low | 38.8 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 70.9 | 148.3 | -179.2 | 78.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 237 | T | 39 | Very low | 39.2 | Very low | 108 Ų | 108 | 140 Ų | 140 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | cis | -169 | 179.1 | -29.9 | 35.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 238 | N | 42 | Very low | 39.1 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 77.9 | 144.1 | 150.1 | -64.3 | -18.9 | 0 | 0 | 0 | 117.9 | ||||
| 239 | L | 32.3 | Very low | 39.8 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | cis | -162.9 | 141.1 | -15 | -157.6 | 78 | 0 | 0 | 0 | 112 | ||||
| 240 | K | 36.3 | Very low | 40 | Very low | 205 Ų | 205 | 147 Ų | 147 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -163.2 | 141.5 | 143.5 | -133.8 | 75.6 | 176.9 | -173.2 | 0 | 111.8 | ||||
| 241 | Q | 37.7 | Very low | 39.8 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -166.4 | -178.3 | -177.8 | -111.4 | -163.6 | 0.4 | 0 | 0 | 108.4 | ||||
| 242 | P | 55.7 | Low | 39.4 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | cis | -89.1 | -136.7 | -3.2 | 43 | -38.7 | 0 | 0 | 0 | 109.6 | E244 | P242-E244 HydrophobicContact CB-CG 4.29Š| ||
| 243 | P | 52.2 | Low | 39.1 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | cis | -62.6 | 172.1 | -5.7 | -25 | 38.4 | 0 | 0 | 0 | 115.3 | ||||
| 244 | E | 32.7 | Very low | 38.9 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | cis | 78 | 119.5 | 17.9 | -63.1 | -74.7 | 117.3 | 0 | 0 | 116.5 | P242 | P242-E244 HydrophobicContact CB-CG 4.29Š| ||
| 245 | A | 37.2 | Very low | 38.6 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | -159.7 | 156.1 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 246 | G | 34.2 | Very low | 38.6 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | 78 | 149.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 247 | I | 42.5 | Very low | 38.6 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | cis | -154.7 | 159.7 | -3.9 | 44.5 | 172.4 | 0 | 0 | 0 | 111.2 | ||||
| 248 | S | 35 | Very low | 38.2 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 28.1 | 120.1 | 157.1 | -60.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 249 | K | 47 | Very low | 37.8 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | 89.3 | 109.7 | 54.5 | -80.8 | -175.5 | 176 | 175.3 | 0 | 116.8 | |||||
| 250 | R | 43.8 | Very low | 37.8 | Very low | 211 Ų | 211 | 134.6 Ų | 134.6 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 81.3 | 152.7 | 145.6 | -57.7 | 169.9 | 69.5 | -143.5 | 5.6 | 120.4 | ||||
| 251 | L | 36.1 | Very low | 37.5 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 72.6 | 159.4 | 165.2 | -52.1 | -169.5 | 0 | 0 | 0 | 116 | ||||
| 252 | S | 33.4 | Very low | 37.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | cis | -164.2 | 173.9 | -36.1 | -166.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 253 | S | 35.8 | Very low | 36.3 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -64.4 | 149.4 | -169.8 | -44.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 254 | S | 33.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 88.2 | 135.6 | 142.6 | -56.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 255 | S | 33 | Very low | 36.2 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 69.4 | 142.8 | 148.3 | -66.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 256 | A | 34.3 | Very low | 36.2 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | cis | -162.5 | 157.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 257 | T | 36.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 66.3 | 155.1 | 147.4 | 51.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 258 | L | 32.1 | Very low | 36.1 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 71.9 | 101.7 | 162.6 | -69.7 | 166 | 0 | 0 | 0 | 119.1 | ||||
| 259 | G | 33.5 | Very low | 35.9 | Very low | 80 Ų | 80 | 144.1 Ų | 144.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -167 | 101.2 | 164 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 260 | K | 31 | Very low | 35.3 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -89.8 | 101.4 | -175.6 | -61.7 | 169.2 | -176.8 | 172 | 0 | 111.3 | ||||
| 261 | S | 31.8 | Very low | 34.6 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -173.9 | 128.7 | 151.2 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | D263 | S261-D263 PolarHBondContact O-N 3.3Š| ||
| 262 | P | 38.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -89.1 | 86.4 | 168.4 | 34.6 | -30.7 | 0 | 0 | 0 | 111.1 | ||||
| 263 | D | 28.8 | Very low | 34.3 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -69 | 137.6 | 169.4 | -162.6 | -16.9 | 0 | 0 | 0 | 110.6 | S261 | S261-D263 PolarHBondContact O-N 3.3Š| ||
| 264 | K | 48.2 | Very low | 34.6 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -142.7 | 98.6 | -179.3 | -72.3 | -168.4 | 177.7 | -176.4 | 0 | 110.3 | V266 | K264-V266 PolarHBondContact O-N 3.17Š| ||
| 265 | S | 34.1 | Very low | 34.7 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -76.7 | 117 | -176.1 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 266 | V | 37.6 | Very low | 34.9 | Very low | 131 Ų | 131 | 145 Ų | 145 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 57.4 | 111.5 | 140.3 | -172.8 | 0 | 0 | 0 | 0 | 119 | K264 | K264-V266 PolarHBondContact O-N 3.17Š| ||
| 267 | R | 35.4 | Very low | 35.1 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -131.6 | 158.3 | 133.3 | -106.2 | -165.2 | 170.4 | -127.4 | -1.9 | 110.3 | ||||
| 268 | P | 38.4 | Very low | 34.8 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 149.2 | -156.6 | 31.2 | -36.7 | 0 | 0 | 0 | 114 | ||
| 269 | R | 32.5 | Very low | 34.8 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 124.6 | 158.6 | -81.9 | -174.4 | 164.8 | 92.1 | -1.2 | 109.5 | ||
| 270 | S | 32.7 | Very low | 34.8 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 140.6 | 164.1 | -52.1 | 0 | 0 | 0 | 0 | 110 | ||
| 271 | S | 30.4 | Very low | 34.9 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -105.4 | 155 | 174 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 272 | S | 32.6 | Very low | 34.8 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | trans | 61.6 | 82.5 | 166.3 | -159.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 273 | C | 29.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 142 Ų | 142 | 91% | 0.905 | 82% | 0.816 | S | S | * | * | trans | -101 | 87.2 | 137.5 | -82.8 | 0 | 0 | 0 | 0 | 108.2 | R275 | C273-R275 PolarHBondContact O-N 3.43Å; C273-R275 VanDerWaalsContact O-N 3.09Å | ||
| 274 | N | 42.3 | Very low | 34.7 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -69.6 | 103.2 | 172.3 | -78.2 | -15.7 | 0 | 0 | 0 | 109.9 | ||||
| 275 | R | 35.3 | Very low | 33.7 | Very low | 240 Ų | 240 | 140.2 Ų | 140.2 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.8 | 156.5 | -75.7 | -171.7 | 172.4 | -148.4 | -0.7 | 108.7 | C273 | C273-R275 PolarHBondContact O-N 3.43Å; C273-R275 VanDerWaalsContact O-N 3.09Å |
| 276 | L | 37.5 | Very low | 33.5 | Very low | 166 Ų | 166 | 140 Ų | 140 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.3 | 170 | -66.1 | 172.5 | 0 | 0 | 0 | 110.2 | ||
| 277 | P | 38 | Very low | 33.2 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 127.3 | 173.8 | 31.9 | -32.4 | 0 | 0 | 0 | 111.1 | ||
| 278 | S | 30.9 | Very low | 32.8 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 118.8 | 157.3 | 54.5 | 0 | 0 | 0 | 0 | 108.4 | G280 | S278-G280 PolarHBondContact O-N 2.85Š|
| 279 | N | 32.4 | Very low | 32.5 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 126.8 | 177.5 | -68.6 | -30.8 | 0 | 0 | 0 | 110.5 | ||
| 280 | G | 32.3 | Very low | 32.4 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -114.7 | 111.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | S278 | S278-G280 PolarHBondContact O-N 2.85Š| ||
| 281 | T | 33.3 | Very low | 32.5 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | -80.5 | 146.6 | -179.5 | -31.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 282 | A | 30.7 | Very low | 32.6 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -69.8 | 145.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 283 | A | 33 | Very low | 32.6 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -147.3 | 146.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 284 | Q | 30.7 | Very low | 32.5 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -84.5 | 151.3 | -174.6 | -59.7 | 170.9 | 2 | 0 | 0 | 111.7 | ||||
| 285 | A | 29 | Very low | 31.8 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -127.3 | 136.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 286 | C | 30 | Very low | 31.6 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | trans | -146 | 96.9 | -170 | -163.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 287 | K | 30.8 | Very low | 31.3 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | 61.9 | 148.2 | 164.2 | -52.6 | -175.9 | -179.1 | -171.8 | 0 | 116.6 | ||||
| 288 | G | 27.5 | Very low | 30.8 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | cis | -160.1 | -165.3 | -7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 289 | D | 31.2 | Very low | 30.9 | Very low | 168 Ų | 168 | 135 Ų | 135 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | cis | -158.5 | 134.3 | -12.7 | -92.2 | -60 | 0 | 0 | 0 | 105.4 | ||||
| 290 | G | 30.3 | Very low | 31 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -171.8 | 45.6 | -163.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 291 | K | 34.4 | Very low | 30.9 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | 23.8 | 131.6 | 149.3 | -62.2 | -176.7 | 179.4 | 176.3 | 0 | 122 | ||||
| 292 | Q | 32.5 | Very low | 30.9 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | 97.4 | 121.9 | 151.6 | -57.6 | -85.3 | 19.4 | 0 | 0 | 120 | ||||
| 293 | L | 32.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | 19.6 | 122.8 | 144 | -50.7 | 175.3 | 0 | 0 | 0 | 118.7 | ||||
| 294 | Q | 27.8 | Very low | 31.2 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | cis | 61.9 | 113.2 | 44.4 | -76.4 | -161.2 | -15.5 | 0 | 0 | 117.9 | ||||
| 295 | V | 28.1 | Very low | 32 | Very low | 135 Ų | 135 | 153.2 Ų | 153.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -155.9 | 139.2 | 141.2 | 122.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 296 | E | 30 | Very low | 32.4 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 67% | 0.673 | 81% | 0.811 | S | S | * | * | trans | 49.4 | 123.9 | 163.8 | -57.9 | -89.7 | 55.4 | 0 | 0 | 119.5 | ||||
| 297 | Q | 31.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 153.4 Ų | 153.4 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | 57.5 | 130.7 | 81 | -61.6 | -155.2 | 96.2 | 0 | 0 | 113.9 | |||||
| 298 | T | 28.3 | Very low | 33.2 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | cis | -155.7 | 161.7 | 19.4 | -48.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 299 | G | 31.8 | Very low | 33.6 | Very low | 67 Ų | 67 | 152.6 Ų | 152.6 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | cis | 171.2 | -142.4 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 300 | R | 34.3 | Very low | 33.7 | Very low | 241 Ų | 241 | 151.2 Ų | 151.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | 6.3 | 120.9 | 167.2 | -69.7 | -177.3 | 176.6 | -151.4 | 0.2 | 119.4 | ||||
| 301 | S | 31.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 157.7 Ų | 157.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | cis | 98.2 | 125.2 | 45.2 | 73.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 302 | V | 31.9 | Very low | 34 | Very low | 150 Ų | 150 | 154.7 Ų | 154.7 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -132.7 | 153 | 166.8 | -82.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 303 | K | 35.6 | Very low | 34.1 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -140.6 | 145.6 | -179.7 | -71.7 | 175.9 | 179 | 170.4 | 0 | 111.1 | ||||
| 304 | K | 36.1 | Very low | 34.3 | Very low | 213 Ų | 213 | 151.7 Ų | 151.7 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -101.4 | 163.4 | 170.6 | -75.4 | -170.5 | 173.9 | -175.4 | 0 | 111.9 | ||||
| 305 | R | 47 | Very low | 34.6 | Very low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -85.8 | 153.4 | -163.5 | -71.7 | 162.5 | 66.1 | 173 | -0.9 | 115.2 | ||||
| 306 | S | 36.8 | Very low | 35 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -155.5 | 138.6 | 155.6 | -41.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 307 | S | 37.5 | Very low | 35.1 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | cis | 67.8 | 135.5 | 14.8 | 78.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 308 | S | 40.3 | Very low | 35.2 | Very low | 105 Ų | 105 | 152.5 Ų | 152.5 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | cis | -159 | 149.1 | -20.6 | -86.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 309 | L | 36.1 | Very low | 35.5 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | 162.9 | 134.8 | 129.4 | -115.2 | 70.7 | 0 | 0 | 0 | 112.9 | |||||
| 310 | T | 33.6 | Very low | 36.1 | Very low | 139 Ų | 139 | 155.5 Ų | 155.5 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -140.4 | 136.8 | 138.8 | -60.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 311 | R | 38.3 | Very low | 36 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 141.9 | 177.6 | -85.2 | -173.1 | 165.8 | -167.6 | -4.7 | 111.4 | ||
| 312 | V | 32.1 | Very low | 36.4 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 146.5 | -179.2 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 313 | S | 34.6 | Very low | 37.1 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 74% | 0.741 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 133.9 | 169.6 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 314 | V | 36.5 | Very low | 36.9 | Very low | 139 Ų | 139 | 150.9 Ų | 150.9 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79 | 131.5 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 315 | S | 35 | Very low | 36.7 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -136.6 | 121.8 | 160.8 | -69.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 316 | R | 35.2 | Very low | 35.9 | Very low | 243 Ų | 243 | 141.7 Ų | 141.7 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -100.1 | 142.5 | 179.1 | -165 | 179.2 | -168.3 | -174 | 3.9 | 110.1 | ||||
| 317 | A | 32.8 | Very low | 35.7 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -71.2 | 163.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 318 | Q | 34.5 | Very low | 35.5 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -128.5 | 149.6 | 158.7 | -73.4 | -171 | 0.5 | 0 | 0 | 109.8 | ||||
| 319 | T | 33.8 | Very low | 35.2 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -95.2 | 160.7 | 176.9 | 41.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 320 | P | 45 | Very low | 35.1 | Very low | 131 Ų | 131 | 145 Ų | 145 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -87.4 | 153.9 | -177.6 | 34.7 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 321 | A | 31.5 | Very low | 35.1 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -136.1 | 156.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 322 | K | 39.8 | Very low | 34.9 | Very low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -85.6 | 176.5 | -176.7 | -59.9 | 178.5 | -179 | 176.5 | 0 | 112.4 | ||||
| 323 | P | 47.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | -142.1 | 154.3 | 105.6 | 37.6 | -25.1 | 0 | 0 | 0 | 117.1 | |||||
| 324 | E | 30.3 | Very low | 35.1 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | 9.1 | 142.6 | 145.2 | -76.1 | -63.4 | 114.1 | 0 | 0 | 120.7 | ||||
| 325 | K | 31.9 | Very low | 35.7 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | -175.3 | 148.1 | 57.8 | -172.8 | 170.5 | -178.9 | 172.6 | 0 | 111.7 | |||||
| 326 | G | 30.1 | Very low | 36.5 | Very low | 59 Ų | 59 | 151.1 Ų | 151.1 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | trans | -154.5 | -18.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 327 | T | 33.7 | Very low | 36.2 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | 71.7 | 157.6 | 170 | -6.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 328 | T | 32.3 | Very low | 36.2 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | 69.9 | 97.5 | 159.8 | 52.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 329 | D | 34.3 | Very low | 36.2 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | 89.2 | 155.1 | 119.2 | -76.3 | -69.3 | 0 | 0 | 0 | 125.8 | |||||
| 330 | N | 34.3 | Very low | 36.5 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -95 | 145.3 | -161.8 | -68.5 | -96.8 | 0 | 0 | 0 | 114.3 | ||||
| 331 | Q | 33.6 | Very low | 36.1 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | -175.4 | 162.8 | 108.8 | -102.1 | 174.6 | 93.5 | 0 | 0 | 114.2 | |||||
| 332 | A | 33.4 | Very low | 36.7 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -99.7 | 160.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 333 | R | 37 | Very low | 37.2 | Very low | 254 Ų | 254 | 138.3 Ų | 138.3 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | -173.4 | 177.1 | 128.3 | -99.3 | 161.3 | -168.7 | -146.5 | 2.1 | 113 | |||||
| 334 | K | 35 | Very low | 37.4 | Very low | 201 Ų | 201 | 138.3 Ų | 138.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -86.7 | 158.2 | -159.6 | -63.2 | -178.8 | 176.4 | -176.6 | 0 | 115.9 | ||||
| 335 | P | 47.7 | Very low | 38.3 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -87.9 | -162.7 | 160.4 | 43.1 | -39.1 | 0 | 0 | 0 | 110.5 | ||||
| 336 | P | 52.1 | Low | 39.2 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -135.2 | 175.5 | -4.3 | 43.2 | -27.3 | 0 | 0 | 0 | 116.3 | ||||
| 337 | A | 30.6 | Very low | 40.3 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -170.6 | 139.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 338 | S | 32.6 | Very low | 41.1 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 47.8 | 115.4 | 140.1 | 67.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 339 | T | 34.4 | Very low | 42.2 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 57.8 | 141.2 | 124.8 | 63.1 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 340 | V | 39.5 | Very low | 43.1 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 61.9 | 158.7 | 164.9 | -53.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 341 | D | 36.2 | Very low | 44.2 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | cis | -147.3 | 171.2 | 7.2 | -152 | 0.8 | 0 | 0 | 0 | 114.3 | G343 | D341-G343 PolarHBondContact O-N 2.88Š| ||
| 342 | E | 44.8 | Very low | 45.3 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -72.5 | 102.2 | 176.7 | -173.7 | 177.7 | 168.8 | 0 | 0 | 112.5 | ||||
| 343 | G | 49.1 | Very low | 46.2 | Very low | 47 Ų | 47 | 139.8 Ų | 139.8 | 49% | 0.485 | 77% | 0.769 | S | S | . | * | trans | -156.5 | 9.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | D341 | D341-G343 PolarHBondContact O-N 2.88Š| ||
| 344 | V | 51.6 | Low | 46.8 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -93.5 | -30.2 | -171.1 | -174.9 | 0 | 0 | 0 | 0 | 114 | ||
| 345 | L | 50.9 | Low | 47.5 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -78.6 | -21.2 | -171.2 | -70.5 | 169.1 | 0 | 0 | 0 | 114.7 | R347 | L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.84Å |
| 346 | S | 50.6 | Low | 47.7 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -76.4 | -14.8 | -177.2 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 347 | R | 53.8 | Low | 47.6 | Very low | 215 Ų | 215 | 125.7 Ų | 125.7 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -88.8 | -1.6 | -175.3 | -89.6 | -179.5 | 167 | 162.9 | -1.9 | 116 | L345 | L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.84Å |
| 348 | L | 48.8 | Very low | 48.6 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -100.3 | -4.5 | -179.2 | -73.2 | 170.3 | 0 | 0 | 0 | 114.6 | ||
| 349 | L | 55.7 | Low | 48.9 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -103.6 | 3.8 | -175.7 | -91.6 | 72.4 | 0 | 0 | 0 | 115 | P351 | L349-P351 WeakPolarHBondContact O-CD 3.48Š|
| 350 | T | 53 | Low | 49.4 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -100.9 | 113.3 | 178 | 21.5 | 0 | 0 | 0 | 0 | 112.5 | T352 | T350-T352 PolarHBondContact O-N 3.08Å; T350-T352 VanDerWaalsContact O-N 3.12Å |
| 351 | P | 57.5 | Low | 49.3 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -65.3 | 111.5 | 178.5 | -22.4 | 34.5 | 0 | 0 | 0 | 112.4 | L349 | L349-P351 WeakPolarHBondContact O-CD 3.48Š| ||
| 352 | T | 57.8 | Low | 49.2 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -78.6 | 148.1 | 177.5 | -11.4 | 0 | 0 | 0 | 0 | 111.3 | T350 A354 S355 | T350-T352 PolarHBondContact O-N 3.08Å; T350-T352 VanDerWaalsContact O-N 3.12Å; T352-A354 PolarHBondContact O-N 3.23Å; T352-S355 PolarHBondContact O-N 2.98Å; T352-S355 VanDerWaalsContact O-N 3.09Å | ||
| 353 | Q | 51.4 | Low | 48.7 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -57.8 | -18.9 | -169.7 | -73.2 | -170.9 | -10.6 | 0 | 0 | 115.9 | S355 L356 | Q353-S355 PolarHBondContact O-N 2.8Å; Q353-L356 PolarHBondContact O-N 3.12Å; Q353-L356 VanDerWaalsContact O-N 3.15Å |
| 354 | A | 50 | Low | 48.1 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -56.5 | -31.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T352 L356 | T352-A354 PolarHBondContact O-N 3.23Å; A354-L356 VanDerWaalsContact C-N 3.32Å; A354-L356 PolarHBondContact O-N 3.36Å |
| 355 | S | 49.4 | Very low | 47.5 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -71.2 | -24.3 | 180 | -58.7 | 0 | 0 | 0 | 0 | 113.6 | T352 Q353 | T352-S355 PolarHBondContact O-N 2.98Å; T352-S355 VanDerWaalsContact O-N 3.09Å; Q353-S355 PolarHBondContact O-N 2.8Å |
| 356 | L | 52.3 | Low | 46.8 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -78.9 | -18.1 | -176.2 | -111.2 | 156.7 | 0 | 0 | 0 | 113.5 | Q353 A354 R358 | Q353-L356 PolarHBondContact O-N 3.12Å; Q353-L356 VanDerWaalsContact O-N 3.15Å; A354-L356 VanDerWaalsContact C-N 3.32Å; A354-L356 PolarHBondContact O-N 3.36Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 2.93Å |
| 357 | A | 50.8 | Low | 46.2 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -81.2 | -1.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 358 | R | 51.5 | Low | 45 | Very low | 238 Ų | 238 | 131.5 Ų | 131.5 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -125.8 | 2.1 | -172.7 | -68.5 | -173.4 | 177.9 | -120.5 | -0.3 | 115.8 | L356 | L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 2.93Å |
| 359 | S | 38.3 | Very low | 44.3 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | trans | -124.3 | 90.7 | -178.1 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 360 | K | 45 | Very low | 43.3 | Very low | 199 Ų | 199 | 125.6 Ų | 125.6 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | trans | -129.2 | 132.9 | 151.8 | -60.7 | -176.7 | -179.6 | -176.8 | 0 | 104.2 | ||||
| 361 | S | 37.2 | Very low | 42.3 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | cis | -156 | 167.8 | 38.3 | -66.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 362 | A | 34.6 | Very low | 41.2 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -163.9 | 156.8 | -21.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 363 | A | 32.7 | Very low | 40.3 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -127.7 | 146.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 364 | V | 36.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 127 Ų | 127 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -87.3 | 138.1 | -176.9 | 175 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 365 | L | 39.9 | Very low | 38.7 | Very low | 172 Ų | 172 | 127 Ų | 127 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -169.8 | 162 | 134.3 | -102.6 | 170.8 | 0 | 0 | 0 | 110.8 | ||||
| 366 | S | 35.3 | Very low | 38.1 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -114 | 142.2 | -163.7 | -48.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 367 | A | 37.9 | Very low | 37.2 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -173.7 | 163 | 143.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 368 | E | 28.7 | Very low | 36.5 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | cis | -176.3 | 136.3 | -48.6 | 177 | 53.8 | -101.9 | 0 | 0 | 105.4 | ||||
| 369 | G | 34.8 | Very low | 36.7 | Very low | 61 Ų | 61 | 127.4 Ų | 127.4 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | 72.3 | 151.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 370 | S | 34.2 | Very low | 36.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | -164.7 | 148.8 | -9.7 | 54 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 371 | D | 33 | Very low | 36.1 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 102.3 | 145 | 143 | -147.6 | 17 | 0 | 0 | 0 | 121.1 | ||||
| 372 | A | 34.1 | Very low | 35.9 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 60% | 0.595 | 79% | 0.792 | S | S | * | * | trans | 41.6 | 133.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 373 | T | 38.9 | Very low | 35.9 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | cis | -164.6 | 172.5 | -2.6 | 9.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 374 | E | 34.3 | Very low | 36.4 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 103.9 | 118.8 | 144.1 | -151.8 | 155.4 | -136.7 | 0 | 0 | 121.2 | ||||
| 375 | C | 33.6 | Very low | 36.5 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 57% | 0.574 | 78% | 0.782 | S | S | * | * | trans | 59.7 | 97.5 | 152.4 | -67.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 376 | H | 36 | Very low | 36.8 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | 81.8 | 127.7 | 114.8 | -63.9 | -39.8 | 0 | 0 | 0 | 124.2 | |||||
| 377 | L | 35 | Very low | 36.7 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | 77.8 | 115.6 | 143.8 | -64.6 | 164.5 | 0 | 0 | 0 | 121.1 | ||||
| 378 | C | 35.8 | Very low | 36.9 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -97.4 | 166.3 | 157.5 | -141.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 379 | P | 54.3 | Low | 38.1 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -150 | -165.9 | 28.6 | 41.5 | -17.8 | 0 | 0 | 0 | 118.1 | ||||
| 380 | R | 33.3 | Very low | 38.1 | Very low | 230 Ų | 230 | 130.3 Ų | 130.3 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | 90.4 | 91.6 | 159.9 | -72.4 | 175.9 | 163.3 | 151.1 | -4.3 | 121.2 | ||||
| 381 | S | 37.1 | Very low | 38.2 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | 46.6 | 107.9 | 121.3 | -48.7 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 382 | A | 34.9 | Very low | 38.4 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 89.3 | 142.5 | 120.6 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 383 | S | 33.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 76.5 | 130.6 | 170.6 | -146.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 384 | P | 42.9 | Very low | 39 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | -134.8 | 168 | 81.5 | 40.1 | -29.5 | 0 | 0 | 0 | 116 | |||||
| 385 | S | 38.4 | Very low | 39.1 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -82.1 | 168 | 171.9 | -46.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 386 | P | 47.3 | Very low | 39.1 | Very low | 129 Ų | 129 | 141 Ų | 141 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | -142.5 | 169.8 | 104.5 | 39.1 | -26.9 | 0 | 0 | 0 | 115.1 | |||||
| 387 | M | 33 | Very low | 39.2 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -112.6 | 130.7 | 176 | -67.5 | -179.2 | 69.5 | 0 | 0 | 112.6 | ||||
| 388 | N | 40.9 | Very low | 39.1 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | 22.8 | 156.8 | 117.2 | -97.5 | -37.2 | 0 | 0 | 0 | 120.5 | |||||
| 389 | P | 54 | Low | 39.2 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | cis | -146.6 | 163.1 | 20.4 | 40.1 | -19.1 | 0 | 0 | 0 | 120.7 | ||||
| 390 | A | 34.8 | Very low | 38.1 | Very low | 83 Ų | 83 | 145.2 Ų | 145.2 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | 61.7 | 134.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 391 | R | 36.5 | Very low | 38.3 | Very low | 250 Ų | 250 | 143.4 Ų | 143.4 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | -164.8 | 148.3 | 98.9 | -98.6 | 171.4 | -161.9 | -84.4 | -3.1 | 112.7 | |||||
| 392 | G | 37.8 | Very low | 38 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -102.8 | 179.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 393 | P | 44.8 | Very low | 37.9 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -93.6 | -175.2 | -166.8 | -7.7 | 29.2 | 0 | 0 | 0 | 116.6 | ||||
| 394 | L | 41.3 | Very low | 37.8 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -57.5 | 151.4 | -176 | -63.2 | 159.6 | 0 | 0 | 0 | 115.2 | ||||
| 395 | R | 34.9 | Very low | 37.2 | Very low | 252 Ų | 252 | 147.5 Ų | 147.5 | 95% | 0.951 | 79% | 0.794 | S | S | * | * | trans | -131.8 | 156 | 163.6 | -162.8 | 163.7 | -177.1 | 86.7 | 0.3 | 112.3 | ||||
| 396 | S | 34.8 | Very low | 37 | Very low | 83 Ų | 83 | 151.5 Ų | 151.5 | 58% | 0.58 | 80% | 0.804 | S | S | * | * | trans | -111.7 | 147.9 | -159.8 | -175 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 397 | R | 38.7 | Very low | 36.3 | Very low | 244 Ų | 244 | 151 Ų | 151 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | 52.7 | 137.4 | 154.8 | -69.5 | 165.1 | -171.5 | 162.5 | 4.7 | 119.3 | ||||
| 398 | S | 31.4 | Very low | 36.1 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -137.4 | 160.9 | 168.4 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 399 | I | 38.4 | Very low | 35.8 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 64.8 | 141.3 | 167.2 | 69 | 169.3 | 0 | 0 | 0 | 120.8 | ||||
| 400 | D | 31.8 | Very low | 34.7 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | -121.2 | 162.4 | 179.1 | 169.6 | -128.9 | 0 | 0 | 0 | 108.1 | ||||
| 401 | R | 37.4 | Very low | 34.6 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | trans | 46 | 129.3 | 165.2 | -79.6 | 170.1 | -179.8 | -174.9 | -3.7 | 119.2 | ||||
| 402 | Q | 30 | Very low | 34.6 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | -163 | 169.8 | 86 | -99.2 | -53.5 | -10.4 | 0 | 0 | 113.1 | |||||
| 403 | K | 33.5 | Very low | 34.4 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -115.8 | 125.5 | -170.4 | 164.2 | -155.1 | 171.6 | -168.8 | 0 | 110.8 | ||||
| 404 | S | 30.3 | Very low | 33.8 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -163.5 | 141.2 | 142.5 | -149.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 405 | G | 32 | Very low | 33.5 | Very low | 64 Ų | 64 | 143.6 Ų | 143.6 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | 84.2 | 110.1 | 110.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 406 | M | 32.4 | Very low | 33.5 | Very low | 184 Ų | 184 | 140 Ų | 140 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | 82.9 | 136.5 | 142.1 | -139.8 | 65.3 | 77.6 | 0 | 0 | 120.1 | ||||
| 407 | T | 32.8 | Very low | 33.4 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -74 | 143.2 | 168.1 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 408 | T | 30 | Very low | 33.4 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | -158.5 | 169.9 | 127.7 | 12.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 409 | S | 33.2 | Very low | 33.5 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -127.8 | 176.5 | -174.7 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 410 | K | 32.8 | Very low | 33.4 | Very low | 200 Ų | 200 | 135 Ų | 135 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | 76.7 | 155.8 | 173.8 | -58.4 | 176.3 | -178.9 | -178.5 | 0 | 115.1 | ||||
| 411 | S | 32.3 | Very low | 33.6 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -177.2 | 152.9 | -21.8 | 175 | 0 | 0 | 0 | 0 | 109 | ||||
| 412 | A | 35.7 | Very low | 33.2 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | 62.1 | 164.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 413 | S | 34.3 | Very low | 34 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -142.6 | -172.4 | -19.3 | 43.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 414 | E | 32 | Very low | 34 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | cis | -158.6 | 178.8 | 16.5 | -148.8 | 144.2 | 124.8 | 0 | 0 | 111.9 | ||||
| 415 | A | 35.5 | Very low | 33.9 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -57.8 | 167.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 416 | L | 34 | Very low | 33.8 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 93% | 0.927 | 76% | 0.757 | S | S | * | * | -161.1 | 166.5 | 103.1 | -96.2 | 172 | 0 | 0 | 0 | 111.5 | |||||
| 417 | D | 32.9 | Very low | 33.9 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -138.4 | 167.6 | -164.5 | 171.9 | 48.3 | 0 | 0 | 0 | 111.6 | ||||
| 418 | T | 38.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 163.4 | 144.7 | 146.8 | 34 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 419 | S | 33.5 | Very low | 35 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | cis | -169.3 | -154.2 | -16.8 | -162.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 420 | L | 36.6 | Very low | 35 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 79 | 146.2 | -175.1 | -52 | -177.4 | 0 | 0 | 0 | 114.3 | ||||
| 421 | K | 35.6 | Very low | 35.1 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 74% | 0.735 | 76% | 0.758 | S | S | * | * | cis | 96.4 | 134.2 | 16.1 | -65 | 178.3 | -176 | 171.7 | 0 | 115.1 | ||||
| 422 | D | 30.2 | Very low | 35.1 | Very low | 118 Ų | 118 | 140 Ų | 140 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | cis | -126.8 | 148.3 | 13.6 | -96.3 | -59.5 | 0 | 0 | 0 | 115.5 | ||||
| 423 | K | 45.5 | Very low | 35.9 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 70% | 0.704 | 76% | 0.758 | S | S | * | * | trans | 20.9 | 142.7 | 131.5 | -58 | 171.1 | -178.5 | 175.7 | 0 | 119.5 | ||||
| 424 | Q | 33.5 | Very low | 35.8 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -164 | 177.3 | 3.6 | -113.4 | 166 | -119.7 | 0 | 0 | 107.9 | ||||
| 425 | L | 29.6 | Very low | 36 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | cis | -115.9 | -89.8 | 8.2 | -152.7 | 175 | 0 | 0 | 0 | 112.9 | ||||
| 426 | A | 29.7 | Very low | 36.9 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | cis | -152.7 | 161.4 | -14 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 427 | S | 34.7 | Very low | 36.8 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -162.3 | 172 | -167 | -128.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 428 | P | 53.3 | Low | 36.8 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | -137.9 | 171.3 | -87.8 | 42.2 | -25.3 | 0 | 0 | 0 | 115.7 | |||||
| 429 | R | 30.8 | Very low | 36.5 | Very low | 257 Ų | 257 | 134.2 Ų | 134.2 | 97% | 0.97 | 76% | 0.758 | S | S | * | * | trans | -160.1 | 122.2 | 162.9 | -155.6 | 179.2 | -168.7 | -139.4 | 6 | 108.8 | ||||
| 430 | G | 34.1 | Very low | 36.7 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | cis | 153.4 | 151 | -4.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 431 | Q | 35.1 | Very low | 36.4 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -170.3 | 168.4 | 163.7 | -88.8 | -117.5 | 22.1 | 0 | 0 | 111.6 | ||||
| 432 | R | 32.6 | Very low | 36.4 | Very low | 226 Ų | 226 | 137.6 Ų | 137.6 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -157.6 | 168.2 | -165 | -145.5 | -159.3 | 160.3 | 171.3 | -5.1 | 108.4 | ||||
| 433 | P | 51.8 | Low | 36.5 | Very low | 100 Ų | 100 | 139 Ų | 139 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | cis | -125.3 | 173 | -44.4 | 21.8 | 0.3 | 0 | 0 | 0 | 115.1 | ||||
| 434 | A | 32.9 | Very low | 35.8 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 55.4 | 137.7 | 135.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 435 | S | 36.7 | Very low | 36.3 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -72.9 | 173.9 | 155 | -37 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 436 | P | 52.6 | Low | 37.3 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -149.1 | -158.4 | 95.7 | 41 | -23 | 0 | 0 | 0 | 114.8 | |||||
| 437 | S | 32.1 | Very low | 37.5 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -123.1 | -177.7 | -160.4 | -51.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 438 | T | 34.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 69.8 | 90 | 154.7 | 48.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 439 | S | 31.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | 39.9 | 142 | 114.2 | 67.3 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 440 | M | 36.5 | Very low | 38.5 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 93% | 0.931 | 79% | 0.787 | S | S | * | * | trans | 95.3 | 130.4 | 156.4 | -55.7 | -58.4 | 172.1 | 0 | 0 | 118.7 | ||||
| 441 | G | 32.1 | Very low | 38.9 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 172.8 | 42.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 442 | R | 35.3 | Very low | 39.6 | Very low | 211 Ų | 211 | 131.9 Ų | 131.9 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -29.7 | 130.8 | 171.4 | -179.2 | -161.2 | -63.2 | -121.1 | 3.2 | 117.4 | ||||
| 443 | H | 32 | Very low | 40.1 | Very low | 148 Ų | 148 | 126 Ų | 126 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | 161.7 | 137.1 | 126.7 | -88.7 | -66.2 | 0 | 0 | 0 | 117.9 | |||||
| 444 | R | 31.5 | Very low | 40.1 | Very low | 237 Ų | 237 | 127 Ų | 127 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | 49.8 | 140.1 | 148.6 | -62.1 | -178.8 | -176.6 | -99.1 | 4 | 122.9 | ||||
| 445 | S | 43.7 | Very low | 40.3 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -87.6 | 167 | 177.5 | -29.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 446 | P | 49.8 | Very low | 40.1 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | -142.2 | -169.6 | 89.6 | 39.6 | -23.6 | 0 | 0 | 0 | 115.6 | |||||
| 447 | S | 33.1 | Very low | 39.4 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -103.5 | 172.1 | -173.6 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 448 | P | 49.2 | Very low | 40 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | -142.5 | 176.1 | 99.3 | 40.3 | -27.3 | 0 | 0 | 0 | 115.4 | |||||
| 449 | A | 38.7 | Very low | 40.1 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -136.8 | 164.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 450 | P | 53.8 | Low | 41.3 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -139.6 | 130.3 | 127.3 | 32.3 | -17.2 | 0 | 0 | 0 | 112.4 | |||||
| 451 | S | 41.3 | Very low | 41 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | 82.7 | 158.7 | 78 | 99.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 452 | P | 49.1 | Very low | 41.2 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -127.5 | -178 | 5.1 | 40.8 | -24.3 | 0 | 0 | 0 | 116.3 | ||||
| 453 | T | 43.9 | Very low | 41.2 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 63% | 0.632 | 77% | 0.771 | S | S | * | * | trans | -103.6 | 168.1 | -177.4 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 454 | P | 52 | Low | 41.2 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | -126.2 | 145.9 | 94.9 | 2.2 | 19.8 | 0 | 0 | 0 | 112.9 | |||||
| 455 | K | 36.7 | Very low | 41.9 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | 72 | 137.6 | 60.2 | -65.1 | 172.7 | -176.7 | 175.1 | 0 | 113.1 | |||||
| 456 | R | 32 | Very low | 41.7 | Very low | 216 Ų | 216 | 128.3 Ų | 128.3 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | cis | -176.7 | 177.3 | -4.7 | -179.7 | -176.9 | 151.8 | -132 | 1.1 | 109.2 | ||||
| 457 | T | 39.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 95.5 | 154.6 | 157 | 64.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 458 | P | 44.2 | Very low | 41.7 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -130.7 | -167.7 | -153.1 | 45.4 | -28.2 | 0 | 0 | 0 | 117.2 | ||||
| 459 | S | 35.7 | Very low | 40.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 157.3 | -172.6 | -24.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 460 | P | 56.3 | Low | 40.9 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | -135.3 | 144.6 | 119.6 | 37.1 | -25.8 | 0 | 0 | 0 | 111.6 | |||||
| 461 | S | 31.7 | Very low | 40.5 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | 55.6 | 126.9 | 62.8 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 462 | A | 34.8 | Very low | 40.9 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | cis | -148.7 | -171.3 | 6.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 463 | S | 35.2 | Very low | 40.4 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | cis | -164.8 | 160.9 | 21.4 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 464 | K | 32.8 | Very low | 40.8 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 42.7 | 127.7 | 154.1 | -58.6 | 170.4 | -174.9 | 176.3 | 0 | 118 | ||||
| 465 | Q | 46.1 | Very low | 39.8 | Very low | 196 Ų | 196 | 138 Ų | 138 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | cis | -138.1 | -171.9 | 46.4 | -64.5 | -179.8 | -9.2 | 0 | 0 | 114.2 | ||||
| 466 | S | 39.2 | Very low | 39.8 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -110.8 | 178 | -168.2 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 467 | P | 48.9 | Very low | 40 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -116 | 165.9 | -9.3 | 30.8 | -10.7 | 0 | 0 | 0 | 112.5 | ||||
| 468 | K | 33.4 | Very low | 39.7 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 60.5 | 136.4 | 59.5 | -102.5 | 81.3 | -177.8 | -173.9 | 0 | 113.4 | |||||
| 469 | T | 33.7 | Very low | 39.1 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | -159.2 | 140.9 | 14.7 | -11.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 470 | R | 37.8 | Very low | 39.2 | Very low | 226 Ų | 226 | 143 Ų | 143 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -95.9 | 168.1 | 138.7 | -133.2 | -158.9 | 162.6 | -145.4 | -0.7 | 105.6 | ||||
| 471 | P | 46.6 | Very low | 39.1 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -139.1 | -113.3 | 21.1 | 30.3 | -0.1 | 0 | 0 | 0 | 115.4 | ||||
| 472 | P | 49.6 | Very low | 39.9 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -122.4 | 178.8 | -140.4 | 37.1 | -14.3 | 0 | 0 | 0 | 116.1 | ||||
| 473 | S | 37.5 | Very low | 39.9 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 151.5 | 177.1 | -33.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 474 | P | 52.2 | Low | 40.6 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | -135.4 | -177.9 | 127.2 | 39.2 | -29 | 0 | 0 | 0 | 114.7 | |||||
| 475 | S | 32.2 | Very low | 41 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 170.6 | -165.5 | -165.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 476 | A | 36 | Very low | 41 | Very low | 78 Ų | 78 | 140 Ų | 140 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | trans | 107.1 | 104.2 | 139.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 477 | M | 37.3 | Very low | 40.7 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | 64.9 | 132.9 | 122.2 | -59.7 | -172 | -175.3 | 0 | 0 | 123.2 | |||||
| 478 | K | 32.8 | Very low | 40 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | 86.5 | 142.8 | 154.2 | -68.2 | -179.1 | 179.2 | -178.7 | 0 | 121 | ||||
| 479 | Q | 32 | Very low | 40.1 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | 95.3 | 115.9 | 143.4 | -144.5 | 142.6 | -23.3 | 0 | 0 | 121.1 | ||||
| 480 | R | 36.3 | Very low | 40.6 | Very low | 223 Ų | 223 | 139.6 Ų | 139.6 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -90 | 140.9 | 167 | 158.6 | -174.6 | -179.4 | -150 | 0.5 | 108.5 | ||||
| 481 | P | 54.3 | Low | 41.2 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | -157.2 | -163.3 | 90.9 | 43.3 | -22.8 | 0 | 0 | 0 | 114 | |||||
| 482 | P | 49.2 | Very low | 41.5 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | cis | -119.7 | -163.1 | -24.3 | 18.5 | 6.4 | 0 | 0 | 0 | 112.6 | ||||
| 483 | S | 34.4 | Very low | 41.7 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -105.4 | 168.3 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 484 | P | 50.2 | Low | 41.5 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -139.1 | 165.8 | 109.7 | 38.9 | -28.5 | 0 | 0 | 0 | 115.4 | |||||
| 485 | Q | 40.7 | Very low | 40.7 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -115.1 | 166.8 | 161.9 | -62.5 | -171.9 | -86.9 | 0 | 0 | 109.9 | ||||
| 486 | P | 47.3 | Very low | 40.9 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -118 | 168 | 140.8 | 36.2 | -28.8 | 0 | 0 | 0 | 112.2 | ||||
| 487 | A | 32.9 | Very low | 41.3 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -153.2 | 154.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 488 | S | 33 | Very low | 41 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -170.4 | 151.2 | 165.7 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 489 | A | 35.7 | Very low | 41.1 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | cis | -148.8 | -175 | -17.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 490 | K | 43.6 | Very low | 41.5 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -124.3 | -174.5 | -179.5 | -57.1 | -179.2 | -179.7 | 175.9 | 0 | 109.4 | ||||
| 491 | P | 51.7 | Low | 41.9 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | cis | -140.9 | -140.4 | 6.7 | 38.5 | -12 | 0 | 0 | 0 | 113.4 | ||||
| 492 | P | 53.1 | Low | 40.9 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | -111.2 | -121.5 | -71 | 29.9 | -8.1 | 0 | 0 | 0 | 115 | |||||
| 493 | P | 53.2 | Low | 40.2 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | -136.8 | -172.9 | -126 | 44.8 | -23.3 | 0 | 0 | 0 | 118.6 | |||||
| 494 | I | 34.3 | Very low | 40.8 | Very low | 140 Ų | 140 | 131 Ų | 131 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | 88.3 | 137.1 | 157.2 | -65 | 166.5 | 0 | 0 | 0 | 119.5 | ||||
| 495 | Q | 34.5 | Very low | 40.9 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 161.9 | 160 | -85.7 | 170.8 | 78.3 | 0 | 0 | 122.7 | ||||
| 496 | K | 37 | Very low | 40.5 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -94 | 161.6 | -176.1 | -38.6 | 169 | -177.8 | 170.8 | 0 | 108.4 | ||||
| 497 | P | 43.9 | Very low | 40.1 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | -157.1 | -172.2 | 63.7 | 43.7 | -22.9 | 0 | 0 | 0 | 116.9 | |||||
| 498 | S | 30.6 | Very low | 40.3 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 70 | 155.5 | 154.9 | 80.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 499 | L | 36.2 | Very low | 40.6 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -154.4 | 145.7 | -16.6 | -120.4 | 168.2 | 0 | 0 | 0 | 108.4 | ||||
| 500 | T | 40.1 | Very low | 40.8 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -108.8 | 138.6 | 170.9 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | T502 | T500-T502 PolarHBondContact O-N 2.84Š| ||
| 501 | P | 43.7 | Very low | 40.1 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 122.8 | -175.6 | 26 | -33.4 | 0 | 0 | 0 | 113.1 | ||
| 502 | T | 32.9 | Very low | 39.4 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 136.5 | 177.2 | -49.6 | 0 | 0 | 0 | 0 | 115.4 | T500 | T500-T502 PolarHBondContact O-N 2.84Š|
| 503 | G | 34.4 | Very low | 38.3 | Very low | 65 Ų | 65 | 145.7 Ų | 145.7 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 138.2 | 151 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 504 | P | 47 | Very low | 37.4 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 152.5 | -178.2 | 32.7 | -34.6 | 0 | 0 | 0 | 113 | ||
| 505 | P | 53.3 | Low | 37.5 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -100.8 | 175.2 | -178.4 | 40.2 | -36.1 | 0 | 0 | 0 | 112.8 | ||||
| 506 | T | 32.2 | Very low | 37.3 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | -176.6 | 150.6 | 122.4 | 22.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 507 | L | 38.5 | Very low | 37.4 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -116.4 | 121.4 | 151.3 | -81.6 | 171.5 | 0 | 0 | 0 | 108 | ||||
| 508 | R | 37.7 | Very low | 36.8 | Very low | 238 Ų | 238 | 139.7 Ų | 139.7 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | -176.2 | 138 | 127.1 | -105.9 | -176.9 | -78 | -176.6 | -2.5 | 114.3 | |||||
| 509 | K | 38.5 | Very low | 37.7 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | 16.1 | 123.2 | 153.5 | -70.9 | -177.4 | 173.1 | 180 | 0 | 120.4 | ||||
| 510 | R | 40.1 | Very low | 37.8 | Very low | 211 Ų | 211 | 139.7 Ų | 139.7 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | 61.9 | 112 | 126.3 | -175 | -155.6 | -71.5 | 168.3 | -9.1 | 117.5 | |||||
| 511 | D | 29.8 | Very low | 37.8 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -149.4 | -172.5 | 130.2 | -125.1 | -43.9 | 0 | 0 | 0 | 113.2 | ||||
| 512 | S | 36.4 | Very low | 37.9 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -117.1 | 136.7 | -145.1 | -51.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 513 | K | 29.3 | Very low | 37.8 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 58.2 | 107.8 | 135.4 | -169.5 | 179.1 | -178.9 | 176.4 | 0 | 121.4 | ||||
| 514 | S | 35.2 | Very low | 37.8 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 124.8 | 140.2 | 38.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 515 | K | 36 | Very low | 38 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | 69 | 129.8 | 75.8 | -74.9 | -166.3 | 138.1 | -78 | 0 | 112.2 | |||||
| 516 | D | 29.7 | Very low | 37.1 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | cis | -149.8 | 172.9 | -0.9 | -84.4 | -46.7 | 0 | 0 | 0 | 107.3 | ||||
| 517 | L | 39.7 | Very low | 37.2 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | cis | -122.2 | -65 | 4.7 | -74.3 | 166.1 | 0 | 0 | 0 | 112.4 | ||||
| 518 | G | 31.5 | Very low | 37.2 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | trans | 122.7 | -147.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 519 | P | 50.3 | Low | 37 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | cis | -69.6 | -157.4 | -0.5 | -21 | 37.4 | 0 | 0 | 0 | 113.6 | ||||
| 520 | V | 37.4 | Very low | 36.9 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | cis | -133 | -160 | 23.3 | -152 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 521 | Q | 39.7 | Very low | 36.8 | Very low | 164 Ų | 164 | 126 Ų | 126 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -149.3 | 169.3 | -160.5 | -84.1 | -74.9 | 30.4 | 0 | 0 | 109.5 | ||||
| 522 | P | 47.4 | Very low | 37.2 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | cis | -142.1 | -179.2 | -13.9 | 30.5 | -7.3 | 0 | 0 | 0 | 117.1 | ||||
| 523 | V | 30.6 | Very low | 37.2 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | 84.9 | 145.7 | 157.8 | -158.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 524 | A | 33.4 | Very low | 37.9 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | -134.2 | -143.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 525 | P | 51 | Low | 37.9 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | cis | -141.6 | 168.7 | 2.9 | 44.3 | -25.5 | 0 | 0 | 0 | 118.7 | ||||
| 526 | Q | 35 | Very low | 38.7 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | 65.9 | 159.5 | 142.8 | -82.5 | 179.3 | 36.7 | 0 | 0 | 120.8 | ||||
| 527 | A | 33.3 | Very low | 39.2 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | cis | -151.3 | 173.8 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 528 | A | 40 | Very low | 39.8 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | -95.4 | 167.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 529 | E | 32.6 | Very low | 40.7 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | -179.5 | -168.4 | 71.4 | -111.3 | -59.8 | 159.1 | 0 | 0 | 110.5 | |||||
| 530 | A | 37.2 | Very low | 41 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 89.6 | 159.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 531 | S | 37.2 | Very low | 41.7 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -157.7 | 162.2 | -147.3 | 77.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 532 | K | 38.2 | Very low | 42 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | trans | 82 | 122.6 | 154.3 | -72.1 | 176.5 | 179.5 | 176.1 | 0 | 119.9 | ||||
| 533 | T | 36 | Very low | 42.3 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | 68.7 | 118.1 | 135.3 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 534 | K | 43.6 | Very low | 43.5 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 69.6 | 103.3 | 134 | -171.1 | -169.8 | 176.1 | -163.8 | 0 | 115.6 | ||||
| 535 | D | 35.7 | Very low | 44.8 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | -141.7 | 167.9 | 108.4 | -106.2 | -37.6 | 0 | 0 | 0 | 112.7 | |||||
| 536 | K | 53.5 | Low | 45.4 | Very low | 163 Ų | 163 | 132 Ų | 132 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | trans | -112.1 | 115.2 | 176.8 | 178.3 | -162.3 | -178.7 | -60.1 | 0 | 107.4 | D538 | K536-D538 IonicContact NZ-OD2 3.14Å; K536-D538 PolarHBondContact NZ-OD2 2.88Å; K536-D538 VanDerWaalsContact NZ-OD2 3.14Å | ||
| 537 | D | 40.5 | Very low | 47.2 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -147.6 | 149.9 | 161.7 | -137.2 | -28.2 | 0 | 0 | 0 | 113.5 | S539 | D537-S539 PolarHBondContact O-N 2.94Š| ||
| 538 | D | 52.4 | Low | 49.3 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | -93.9 | 90 | -173.5 | -90.2 | -89.2 | 0 | 0 | 0 | 110 | K536 | K536-D538 IonicContact NZ-OD2 3.14Å; K536-D538 PolarHBondContact NZ-OD2 2.88Å; K536-D538 VanDerWaalsContact NZ-OD2 3.14Å | ||
| 539 | S | 50.7 | Low | 51.1 | Low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -129.8 | 96.8 | 174.1 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | D537 P541 | D537-S539 PolarHBondContact O-N 2.94Å; S539-P541 WeakPolarHBondContact O-CD 3.38Å | ||
| 540 | K | 54.6 | Low | 53.2 | Low | 189 Ų | 189 | 121.3 Ų | 121.3 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -49.3 | 119 | 163.3 | 171.1 | -173 | 177.3 | -175.7 | 0 | 109.8 | T542 | K540-T542 PolarHBondContact O-N 2.85Š| ||
| 541 | P | 52.3 | Low | 55.4 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 70% | 0.696 | S | S | * | * | trans | -69 | 104.4 | 176.1 | 26.5 | -32.7 | 0 | 0 | 0 | 110 | S539 G543 | S539-P541 WeakPolarHBondContact O-CD 3.38Å; P541-G543 PolarHBondContact O-N 3.25Å | ||
| 542 | T | 46 | Very low | 57.8 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | -56.2 | 121.9 | 170.5 | -65.9 | 0 | 0 | 0 | 0 | 109.6 | K540 | K540-T542 PolarHBondContact O-N 2.85Š| ||
| 543 | G | 54.2 | Low | 60.1 | Low | 71 Ų | 71 | 117.5 Ų | 117.5 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | trans | -84.6 | 125.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P541 | P541-G543 PolarHBondContact O-N 3.25Š| ||
| 544 | T | 55.6 | Low | 62.5 | Low | 128 Ų | 128 | 116.5 Ų | 116.5 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | -129.7 | 9.8 | 169.3 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | S546 | T544-S546 PolarHBondContact O-N 3.5Š| ||
| 545 | N | 60.6 | Low | 64.7 | Low | 140 Ų | 140 | 110.1 Ų | 110.1 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -75.2 | 118.8 | 164.9 | -72.1 | 6.2 | 0 | 0 | 0 | 108.7 | ||
| 546 | S | 64.8 | Low | 67.2 | Low | 66 Ų | 66 | 107.8 Ų | 107.8 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | trans | -60.5 | 140 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | T544 A548 E549 A550 | T544-S546 PolarHBondContact O-N 3.5Å; S546-A548 PolarHBondContact O-N 3.37Å; S546-A548 VanDerWaalsContact O-N 3.07Å; S546-E549 PolarHBondContact O-N 2.84Å; S546-A550 PolarHBondContact O-N 3.24Å | ||
| 547 | A | 72.8 | Confident | 69 | Low | 85 Ų | 85 | 104 Ų | 104 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56.7 | -28.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A551 | A547-A551 VanDerWaalsContact O-CB 3.31Å; A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.11Å; A547-A551 VanDerWaalsContact O-N 3.08Å |
| 548 | A | 77.1 | Confident | 71.6 | Confident | 71 Ų | 71 | 103.6 Ų | 103.6 | 59% | 0.587 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.5 | -37.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | S546 K552 | S546-A548 PolarHBondContact O-N 3.37Å; S546-A548 VanDerWaalsContact O-N 3.07Å; A548-K552 WeakPolarHBondContact O-CB 3.42Å; A548-K552 PolarHBondContact O-N 3.4Å |
| 549 | E | 76.6 | Confident | 73.5 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 54% | 0.537 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -77.5 | -40.8 | -178.6 | -63.8 | -173.6 | 133.1 | 0 | 0 | 111.7 | S546 A551 K552 I553 | S546-E549 PolarHBondContact O-N 2.84Å; E549-A551 VanDerWaalsContact C-N 3.28Å; E549-A551 PolarHBondContact O-N 2.96Å; E549-K552 WeakPolarHBondContact O-CB 3.49Å; E549-K552 PolarHBondContact O-N 2.86Å; E549-K552 VanDerWaalsContact O-N 3.13Å; E549-I553 WeakPolarHBondContact O-CG1 3.34Å; E549-I553 PolarHBondContact O-N 2.98Å |
| 550 | A | 77.2 | Confident | 75.5 | Confident | 49 Ų | 49 | 104.2 Ų | 104.2 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.1 | -40.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S546 L554 | S546-A550 PolarHBondContact O-N 3.24Å; A550-L554 WeakPolarHBondContact O-CG 3.22Å; A550-L554 PolarHBondContact O-N 2.88Å; A550-L554 VanDerWaalsContact O-N 3.1Å |
| 551 | A | 83.3 | Confident | 77 | Confident | 54 Ų | 54 | 101.1 Ų | 101.1 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A547 E549 L554 A555 | A547-A551 VanDerWaalsContact O-CB 3.31Å; A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.11Å; A547-A551 VanDerWaalsContact O-N 3.08Å; E549-A551 VanDerWaalsContact C-N 3.28Å; E549-A551 PolarHBondContact O-N 2.96Å; A551-L554 PolarHBondContact O-N 2.96Å; A551-A555 WeakPolarHBondContact O-CB 3.35Å; A551-A555 PolarHBondContact O-N 3.36Å |
| 552 | K | 88 | Confident | 78.8 | Confident | 145 Ų | 145 | 103.2 Ų | 103.2 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.1 | -49.5 | 176 | -172.6 | -177.9 | 176.5 | -171.7 | 0 | 111.5 | A548 E549 L554 A555 E556 | A548-K552 WeakPolarHBondContact O-CB 3.42Å; A548-K552 PolarHBondContact O-N 3.4Å; E549-K552 WeakPolarHBondContact O-CB 3.49Å; E549-K552 PolarHBondContact O-N 2.86Å; E549-K552 VanDerWaalsContact O-N 3.13Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.28Å; K552-A555 WeakPolarHBondContact O-CA 3.49Å; K552-A555 WeakPolarHBondContact O-CB 3.31Å; K552-A555 PolarHBondContact O-N 3.2Å; K552-E556 WeakPolarHBondContact O-CB 3.29Å; K552-E556 PolarHBondContact O-N 3.05Å |
| 553 | I | 87.1 | Confident | 80.9 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 176.7 | -66.4 | 165 | 0 | 0 | 0 | 110.9 | E549 E556 N557 | E549-I553 WeakPolarHBondContact O-CG1 3.34Å; E549-I553 PolarHBondContact O-N 2.98Å; I553-E556 PolarHBondContact O-N 2.93Å; I553-N557 WeakPolarHBondContact O-CB 3.4Å; I553-N557 PolarHBondContact O-N 3.42Å; I553-N557 PolarHBondContact O-ND2 3.5Å |
| 554 | L | 86.2 | Confident | 82.5 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.9 | -34.9 | 174.7 | -71.8 | 173.3 | 0 | 0 | 0 | 112.7 | A550 A551 K552 R558 | A550-L554 WeakPolarHBondContact O-CG 3.22Å; A550-L554 PolarHBondContact O-N 2.88Å; A550-L554 VanDerWaalsContact O-N 3.1Å; A551-L554 PolarHBondContact O-N 2.96Å; K552-L554 VanDerWaalsContact C-N 3.3Å; K552-L554 PolarHBondContact O-N 3.28Å; L554-R558 WeakPolarHBondContact O-CB 3.28Å; L554-R558 VanDerWaalsContact O-CG 3.28Å; L554-R558 WeakPolarHBondContact O-CG 3.49Å; L554-R558 PolarHBondContact O-N 3.04Å; L554-R558 VanDerWaalsContact O-N 3.14Å; L554-R558 PolarHBondContact O-NE 2.82Å |
| 555 | A | 89.6 | Confident | 84.3 | Confident | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A551 K552 R558 R559 | A551-A555 WeakPolarHBondContact O-CB 3.35Å; A551-A555 PolarHBondContact O-N 3.36Å; K552-A555 WeakPolarHBondContact O-CA 3.49Å; K552-A555 WeakPolarHBondContact O-CB 3.31Å; K552-A555 PolarHBondContact O-N 3.2Å; A555-R558 CarbonylContact O-C 3.55Å; A555-R558 PolarHBondContact O-N 3.41Å; A555-R559 PolarHBondContact O-N 3.35Å |
| 556 | E | 88.3 | Confident | 85.8 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -47 | 178.7 | -172.5 | 154.7 | -133 | 0 | 0 | 112.3 | K552 I553 R558 R559 L560 | K552-E556 WeakPolarHBondContact O-CB 3.29Å; K552-E556 PolarHBondContact O-N 3.05Å; I553-E556 PolarHBondContact O-N 2.93Å; E556-R558 VanDerWaalsContact C-N 3.27Å; E556-R558 PolarHBondContact O-N 3.43Å; E556-R559 CarbonylContact O-C 3.56Å; E556-R559 WeakPolarHBondContact O-CA 3.34Å; E556-R559 VanDerWaalsContact O-CB 3.29Å; E556-R559 WeakPolarHBondContact O-CB 3.45Å; E556-R559 PolarHBondContact O-N 3.48Å; E556-L560 PolarHBondContact O-N 3.29Å |
| 557 | N | 90.9 | Very high | 87.1 | Confident | 83 Ų | 83 | 103.5 Ų | 103.5 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 171.8 | -78.2 | -28.2 | 0 | 0 | 0 | 112.3 | I553 R559 L560 M561 | I553-N557 WeakPolarHBondContact O-CB 3.4Å; I553-N557 PolarHBondContact O-N 3.42Å; I553-N557 PolarHBondContact O-ND2 3.5Å; N557-R559 VanDerWaalsContact C-N 3.31Å; N557-R559 PolarHBondContact O-N 2.96Å; N557-L560 PolarHBondContact O-N 3.38Å; N557-M561 WeakPolarHBondContact O-CB 3.37Å; N557-M561 WeakPolarHBondContact O-CG 3.27Å; N557-M561 PolarHBondContact O-N 2.94Å |
| 558 | R | 95 | Very high | 87.9 | Confident | 141 Ų | 141 | 106 Ų | 106 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.5 | -21.8 | 171.8 | -74.6 | 174.1 | -67 | -167.5 | -0.5 | 113.1 | L554 A555 E556 R562 | L554-R558 WeakPolarHBondContact O-CB 3.28Å; L554-R558 VanDerWaalsContact O-CG 3.28Å; L554-R558 WeakPolarHBondContact O-CG 3.49Å; L554-R558 PolarHBondContact O-N 3.04Å; L554-R558 VanDerWaalsContact O-N 3.14Å; L554-R558 PolarHBondContact O-NE 2.82Å; A555-R558 CarbonylContact O-C 3.55Å; A555-R558 PolarHBondContact O-N 3.41Å; E556-R558 VanDerWaalsContact C-N 3.27Å; E556-R558 PolarHBondContact O-N 3.43Å; R558-R562 WeakPolarHBondContact O-CG 3.47Å; R558-R562 PolarHBondContact O-NH1 3.37Å |
| 559 | R | 93.4 | Very high | 88.6 | Confident | 168 Ų | 168 | 107.1 Ų | 107.1 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -74.3 | -53.5 | 168.2 | 178.2 | -177.1 | 171.3 | 165.7 | 2.2 | 109.7 | A555 E556 N557 M561 R562 E563 | A555-R559 PolarHBondContact O-N 3.35Å; E556-R559 CarbonylContact O-C 3.56Å; E556-R559 WeakPolarHBondContact O-CA 3.34Å; E556-R559 VanDerWaalsContact O-CB 3.29Å; E556-R559 WeakPolarHBondContact O-CB 3.45Å; E556-R559 PolarHBondContact O-N 3.48Å; N557-R559 VanDerWaalsContact C-N 3.31Å; N557-R559 PolarHBondContact O-N 2.96Å; R559-M561 VanDerWaalsContact C-N 3.31Å; R559-M561 PolarHBondContact O-N 3.03Å; R559-R562 WeakPolarHBondContact O-CA 3.29Å; R559-R562 WeakPolarHBondContact O-CB 3.39Å; R559-R562 PolarHBondContact O-N 3.39Å; R559-E563 IonicContact NE-OE2 3.56Å; R559-E563 PolarHBondContact O-N 3.21Å |
| 560 | L | 92.3 | Very high | 89.4 | Confident | 85 Ų | 85 | 106.5 Ų | 106.5 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.8 | -40.8 | 179.7 | -66.1 | 174.2 | 0 | 0 | 0 | 112.6 | E556 N557 R562 E563 Q564 | E556-L560 PolarHBondContact O-N 3.29Å; N557-L560 PolarHBondContact O-N 3.38Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-R562 PolarHBondContact O-N 2.76Å; L560-E563 PolarHBondContact O-N 3.07Å; L560-Q564 WeakPolarHBondContact O-CB 3.48Å; L560-Q564 WeakPolarHBondContact O-CG 3.49Å; L560-Q564 PolarHBondContact O-N 3.25Å |
| 561 | M | 86.6 | Confident | 90.2 | Very high | 125 Ų | 125 | 108.9 Ų | 108.9 | 62% | 0.616 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -31.8 | 174.3 | -76.8 | -60.8 | -53.8 | 0 | 0 | 113.7 | N557 R559 K565 | N557-M561 WeakPolarHBondContact O-CB 3.37Å; N557-M561 WeakPolarHBondContact O-CG 3.27Å; N557-M561 PolarHBondContact O-N 2.94Å; R559-M561 VanDerWaalsContact C-N 3.31Å; R559-M561 PolarHBondContact O-N 3.03Å; M561-K565 WeakPolarHBondContact O-CB 3.4Å; M561-K565 PolarHBondContact O-N 3.09Å |
| 562 | R | 88.5 | Confident | 90.7 | Very high | 168 Ų | 168 | 114.3 Ų | 114.3 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.6 | -43.3 | 171.8 | -69.1 | 177.7 | -169.5 | 107.8 | -16.7 | 110.6 | R558 R559 L560 Q564 K565 E566 | R558-R562 WeakPolarHBondContact O-CG 3.47Å; R558-R562 PolarHBondContact O-NH1 3.37Å; R559-R562 WeakPolarHBondContact O-CA 3.29Å; R559-R562 WeakPolarHBondContact O-CB 3.39Å; R559-R562 PolarHBondContact O-N 3.39Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-R562 PolarHBondContact O-N 2.76Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; R562-Q564 PolarHBondContact O-N 3.06Å; R562-K565 PolarHBondContact O-N 2.63Å; R562-E566 VanDerWaalsContact O-CB 3.26Å; R562-E566 WeakPolarHBondContact O-CB 3.39Å; R562-E566 PolarHBondContact O-N 3.32Å |
| 563 | E | 91.3 | Very high | 90.9 | Very high | 50 Ų | 50 | 112.2 Ų | 112.2 | 23% | 0.234 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -68.7 | -29.1 | -178.2 | -139.7 | -170.8 | 100 | 0 | 0 | 113.1 | R559 L560 R567 | R559-E563 IonicContact NE-OE2 3.56Å; R559-E563 PolarHBondContact O-N 3.21Å; L560-E563 PolarHBondContact O-N 3.07Å; E563-R567 WeakPolarHBondContact O-CG 3.38Å; E563-R567 PolarHBondContact O-N 3.2Å; E563-R567 PolarHBondContact O-NH1 2.85Å; E563-R567 VanDerWaalsContact O-NH1 3.15Å; E563-R567 IonicContact OE1-CZ 3.23Å; E563-R567 VanDerWaalsContact OE1-CZ 3.23Å; E563-R567 IonicContact OE1-NH1 2.77Å; E563-R567 PolarHBondContact OE1-NH1 2.83Å; E563-R567 IonicContact OE1-NH2 2.77Å; E563-R567 PolarHBondContact OE1-NH2 3.08Å |
| 564 | Q | 88.3 | Confident | 91.1 | Very high | 130 Ų | 130 | 113.8 Ų | 113.8 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.6 | -48.1 | 168.5 | -79.3 | -171.6 | -25.3 | 0 | 0 | 111 | L560 R562 E566 R567 E568 | L560-Q564 WeakPolarHBondContact O-CB 3.48Å; L560-Q564 WeakPolarHBondContact O-CG 3.49Å; L560-Q564 PolarHBondContact O-N 3.25Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; R562-Q564 PolarHBondContact O-N 3.06Å; Q564-E566 VanDerWaalsContact C-N 3.27Å; Q564-E566 PolarHBondContact O-N 3.24Å; Q564-R567 PolarHBondContact O-N 3.49Å; Q564-E568 PolarHBondContact O-N 2.88Å |
| 565 | K | 92.5 | Very high | 91.4 | Very high | 113 Ų | 113 | 115.8 Ų | 115.8 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 176.7 | -167.7 | -163.6 | 171.5 | -113.4 | 0 | 111.3 | M561 R562 E568 E569 | M561-K565 WeakPolarHBondContact O-CB 3.4Å; M561-K565 PolarHBondContact O-N 3.09Å; R562-K565 PolarHBondContact O-N 2.63Å; K565-E568 PolarHBondContact O-N 3.4Å; K565-E569 IonicContact NZ-OE1 2.72Å; K565-E569 PolarHBondContact NZ-OE1 2.95Å; K565-E569 IonicContact NZ-OE2 2.72Å; K565-E569 PolarHBondContact NZ-OE2 3Å; K565-E569 WeakPolarHBondContact O-CB 3.37Å; K565-E569 PolarHBondContact O-N 2.95Å |
| 566 | E | 92.2 | Very high | 91.4 | Very high | 106 Ų | 106 | 118.9 Ų | 118.9 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.8 | -176.6 | 174.3 | -175.1 | 0 | 0 | 111.9 | R562 Q564 E569 Q570 | R562-E566 VanDerWaalsContact O-CB 3.26Å; R562-E566 WeakPolarHBondContact O-CB 3.39Å; R562-E566 PolarHBondContact O-N 3.32Å; Q564-E566 VanDerWaalsContact C-N 3.27Å; Q564-E566 PolarHBondContact O-N 3.24Å; E566-E569 PolarHBondContact O-N 3.03Å; E566-Q570 WeakPolarHBondContact O-CB 3.33Å; E566-Q570 VanDerWaalsContact O-CG 3.27Å; E566-Q570 WeakPolarHBondContact O-CG 3.26Å; E566-Q570 PolarHBondContact O-N 2.67Å |
| 567 | R | 92.6 | Very high | 91.4 | Very high | 134 Ų | 134 | 117.8 Ų | 117.8 | 51% | 0.506 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 172.5 | -73.1 | -179.3 | -175.5 | 95.5 | -3.5 | 112.6 | E563 Q564 L571 | E563-R567 WeakPolarHBondContact O-CG 3.38Å; E563-R567 PolarHBondContact O-N 3.2Å; E563-R567 PolarHBondContact O-NH1 2.85Å; E563-R567 VanDerWaalsContact O-NH1 3.15Å; E563-R567 IonicContact OE1-CZ 3.23Å; E563-R567 VanDerWaalsContact OE1-CZ 3.23Å; E563-R567 IonicContact OE1-NH1 2.77Å; E563-R567 PolarHBondContact OE1-NH1 2.83Å; E563-R567 IonicContact OE1-NH2 2.77Å; E563-R567 PolarHBondContact OE1-NH2 3.08Å; Q564-R567 PolarHBondContact O-N 3.49Å; R567-L571 WeakPolarHBondContact O-CG 3.43Å; R567-L571 PolarHBondContact O-N 2.88Å |
| 568 | E | 89.6 | Confident | 91.3 | Very high | 138 Ų | 138 | 118 Ų | 118 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 174.1 | -170.5 | -175.1 | 173.8 | 0 | 0 | 111.6 | Q564 K565 L571 R572 | Q564-E568 PolarHBondContact O-N 2.88Å; K565-E568 PolarHBondContact O-N 3.4Å; E568-L571 PolarHBondContact O-N 3.42Å; E568-R572 WeakPolarHBondContact O-CB 3.48Å; E568-R572 PolarHBondContact O-N 2.98Å |
| 569 | E | 91.9 | Very high | 90.9 | Very high | 94 Ų | 94 | 117.4 Ų | 117.4 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 178.7 | -167.5 | 150 | -146.1 | 0 | 0 | 111 | K565 E566 R572 I573 | K565-E569 IonicContact NZ-OE1 2.72Å; K565-E569 PolarHBondContact NZ-OE1 2.95Å; K565-E569 IonicContact NZ-OE2 2.72Å; K565-E569 PolarHBondContact NZ-OE2 3Å; K565-E569 WeakPolarHBondContact O-CB 3.37Å; K565-E569 PolarHBondContact O-N 2.95Å; E566-E569 PolarHBondContact O-N 3.03Å; E569-R572 PolarHBondContact O-N 2.89Å; E569-I573 HydrophobicContact CG-CD1 4.47Å; E569-I573 WeakPolarHBondContact O-CD1 3.44Å; E569-I573 VanDerWaalsContact O-CG1 3.24Å; E569-I573 WeakPolarHBondContact O-CG1 3.19Å; E569-I573 PolarHBondContact O-N 3.21Å |
| 570 | Q | 93.4 | Very high | 90.8 | Very high | 102 Ų | 102 | 115.6 Ų | 115.6 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 170.2 | -73.5 | 171.8 | 13.6 | 0 | 0 | 112.6 | E566 R572 I573 Q574 | E566-Q570 WeakPolarHBondContact O-CB 3.33Å; E566-Q570 VanDerWaalsContact O-CG 3.27Å; E566-Q570 WeakPolarHBondContact O-CG 3.26Å; E566-Q570 PolarHBondContact O-N 2.67Å; Q570-R572 VanDerWaalsContact C-N 3.26Å; Q570-R572 PolarHBondContact O-N 3.11Å; Q570-I573 PolarHBondContact O-N 3.49Å; Q570-Q574 WeakPolarHBondContact O-CG 3.39Å; Q570-Q574 PolarHBondContact O-N 3.37Å |
| 571 | L | 93.6 | Very high | 90.6 | Very high | 99 Ų | 99 | 116.6 Ų | 116.6 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -30.8 | 176.7 | -74.2 | 172 | 0 | 0 | 0 | 112.6 | R567 E568 K575 | R567-L571 WeakPolarHBondContact O-CG 3.43Å; R567-L571 PolarHBondContact O-N 2.88Å; E568-L571 PolarHBondContact O-N 3.42Å; L571-K575 WeakPolarHBondContact O-CG 3.36Å; L571-K575 PolarHBondContact O-N 3.22Å |
| 572 | R | 93.1 | Very high | 90.9 | Very high | 168 Ų | 168 | 118.3 Ų | 118.3 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.1 | -45.8 | 172.3 | 178.5 | -180 | 165.1 | 173.4 | -3.6 | 111.4 | E568 E569 Q570 Q574 K575 E576 | E568-R572 WeakPolarHBondContact O-CB 3.48Å; E568-R572 PolarHBondContact O-N 2.98Å; E569-R572 PolarHBondContact O-N 2.89Å; Q570-R572 VanDerWaalsContact C-N 3.26Å; Q570-R572 PolarHBondContact O-N 3.11Å; R572-Q574 VanDerWaalsContact C-N 3.33Å; R572-Q574 PolarHBondContact O-N 2.92Å; R572-K575 PolarHBondContact O-N 3.33Å; R572-E576 IonicContact NE-OE2 3.17Å; R572-E576 IonicContact NH2-OE2 2.62Å; R572-E576 WeakPolarHBondContact O-CB 3.37Å; R572-E576 PolarHBondContact O-N 2.8Å |
| 573 | I | 92.4 | Very high | 91 | Very high | 101 Ų | 101 | 116.3 Ų | 116.3 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 177.9 | -71 | 161.8 | 0 | 0 | 0 | 110.7 | E569 Q570 K575 E576 E577 | E569-I573 HydrophobicContact CG-CD1 4.47Å; E569-I573 WeakPolarHBondContact O-CD1 3.44Å; E569-I573 VanDerWaalsContact O-CG1 3.24Å; E569-I573 WeakPolarHBondContact O-CG1 3.19Å; E569-I573 PolarHBondContact O-N 3.21Å; Q570-I573 PolarHBondContact O-N 3.49Å; I573-K575 VanDerWaalsContact C-N 3.35Å; I573-K575 PolarHBondContact O-N 2.81Å; I573-E576 PolarHBondContact O-N 3.16Å; I573-E577 WeakPolarHBondContact O-CB 3.46Å; I573-E577 PolarHBondContact O-N 2.81Å |
| 574 | Q | 91.8 | Very high | 90.7 | Very high | 124 Ų | 124 | 119.8 Ų | 119.8 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.6 | -43.5 | 175.4 | -72.9 | 176.5 | -5.7 | 0 | 0 | 112.5 | Q570 R572 E577 E578 | Q570-Q574 WeakPolarHBondContact O-CG 3.39Å; Q570-Q574 PolarHBondContact O-N 3.37Å; R572-Q574 VanDerWaalsContact C-N 3.33Å; R572-Q574 PolarHBondContact O-N 2.92Å; Q574-E577 PolarHBondContact O-N 2.78Å; Q574-E578 PolarHBondContact O-N 3.2Å |
| 575 | K | 91.9 | Very high | 90.7 | Very high | 146 Ų | 146 | 120.2 Ų | 120.2 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.9 | -37.5 | 177 | -72.2 | 174.8 | -178.8 | 179.9 | 0 | 113.1 | L571 R572 I573 E577 E578 E579 | L571-K575 WeakPolarHBondContact O-CG 3.36Å; L571-K575 PolarHBondContact O-N 3.22Å; R572-K575 PolarHBondContact O-N 3.33Å; I573-K575 VanDerWaalsContact C-N 3.35Å; I573-K575 PolarHBondContact O-N 2.81Å; K575-E577 VanDerWaalsContact C-N 3.29Å; K575-E578 PolarHBondContact O-N 3.29Å; K575-E579 WeakPolarHBondContact O-CB 3.4Å; K575-E579 PolarHBondContact O-N 3.32Å |
| 576 | E | 89.1 | Confident | 90.3 | Very high | 115 Ų | 115 | 121.6 Ų | 121.6 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -31 | 176.7 | -164.2 | 168.6 | 144.7 | 0 | 0 | 111.1 | R572 I573 R580 | R572-E576 IonicContact NE-OE2 3.17Å; R572-E576 IonicContact NH2-OE2 2.62Å; R572-E576 WeakPolarHBondContact O-CB 3.37Å; R572-E576 PolarHBondContact O-N 2.8Å; I573-E576 PolarHBondContact O-N 3.16Å; E576-R580 WeakPolarHBondContact O-CB 3.44Å; E576-R580 PolarHBondContact O-N 2.87Å |
| 577 | E | 88.3 | Confident | 90.1 | Very high | 83 Ų | 83 | 122.8 Ų | 122.8 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.6 | -40.7 | 172.3 | -173.7 | 139.3 | -111.8 | 0 | 0 | 113 | I573 Q574 K575 R580 Q581 | I573-E577 WeakPolarHBondContact O-CB 3.46Å; I573-E577 PolarHBondContact O-N 2.81Å; Q574-E577 PolarHBondContact O-N 2.78Å; K575-E577 VanDerWaalsContact C-N 3.29Å; E577-R580 WeakPolarHBondContact O-CB 3.44Å; E577-R580 PolarHBondContact O-N 2.9Å; E577-R580 IonicContact OE1-CZ 2.66Å; E577-R580 IonicContact OE1-NH1 2.65Å; E577-R580 PolarHBondContact OE1-NH1 3.28Å; E577-R580 IonicContact OE1-NH2 2.83Å; E577-R580 PolarHBondContact OE1-NH2 3.48Å; E577-Q581 WeakPolarHBondContact O-CG 3.28Å; E577-Q581 PolarHBondContact O-N 2.94Å |
| 578 | E | 88.9 | Confident | 90.2 | Very high | 89 Ų | 89 | 123.6 Ų | 123.6 | 42% | 0.416 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -42.4 | 172.3 | -164.1 | -160.8 | 147.7 | 0 | 0 | 111.6 | Q574 K575 R580 Q581 R582 | Q574-E578 PolarHBondContact O-N 3.2Å; K575-E578 PolarHBondContact O-N 3.29Å; E578-R580 VanDerWaalsContact C-N 3.32Å; E578-R580 PolarHBondContact O-N 2.85Å; E578-Q581 PolarHBondContact O-N 2.81Å; E578-R582 WeakPolarHBondContact O-CG 3.47Å; E578-R582 PolarHBondContact O-N 3.41Å; E578-R582 IonicContact OE1-CZ 3.16Å; E578-R582 IonicContact OE1-NE 2.72Å; E578-R582 PolarHBondContact OE1-NE 3.19Å; E578-R582 IonicContact OE1-NH2 2.68Å; E578-R582 PolarHBondContact OE1-NH2 2.9Å |
| 579 | E | 86.4 | Confident | 90.5 | Very high | 128 Ų | 128 | 122.5 Ų | 122.5 | 60% | 0.598 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 174.1 | -169.4 | -174.6 | 144.7 | 0 | 0 | 111 | K575 K583 | K575-E579 WeakPolarHBondContact O-CB 3.4Å; K575-E579 PolarHBondContact O-N 3.32Å; E579-K583 WeakPolarHBondContact O-CB 3.44Å; E579-K583 PolarHBondContact O-N 2.86Å; E579-K583 VanDerWaalsContact O-N 3.08Å |
| 580 | R | 92.4 | Very high | 90.5 | Very high | 129 Ų | 129 | 120.4 Ų | 120.4 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.6 | -166.8 | -174.9 | 78.3 | -124.6 | -0.3 | 111.5 | E576 E577 E578 K583 E584 | E576-R580 WeakPolarHBondContact O-CB 3.44Å; E576-R580 PolarHBondContact O-N 2.87Å; E577-R580 WeakPolarHBondContact O-CB 3.44Å; E577-R580 PolarHBondContact O-N 2.9Å; E577-R580 IonicContact OE1-CZ 2.66Å; E577-R580 IonicContact OE1-NH1 2.65Å; E577-R580 PolarHBondContact OE1-NH1 3.28Å; E577-R580 IonicContact OE1-NH2 2.83Å; E577-R580 PolarHBondContact OE1-NH2 3.48Å; E578-R580 VanDerWaalsContact C-N 3.32Å; E578-R580 PolarHBondContact O-N 2.85Å; R580-K583 PolarHBondContact O-N 2.87Å; R580-E584 WeakPolarHBondContact O-CB 3.45Å; R580-E584 PolarHBondContact O-N 2.95Å |
| 581 | Q | 88.3 | Confident | 90.3 | Very high | 106 Ų | 106 | 120.4 Ų | 120.4 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -52.6 | 178.8 | -74.5 | 174.6 | -10.7 | 0 | 0 | 111.9 | E577 E578 K583 E584 E585 | E577-Q581 WeakPolarHBondContact O-CG 3.28Å; E577-Q581 PolarHBondContact O-N 2.94Å; E578-Q581 PolarHBondContact O-N 2.81Å; Q581-K583 PolarHBondContact O-N 2.95Å; Q581-K583 VanDerWaalsContact O-N 3.17Å; Q581-E584 PolarHBondContact O-N 3.32Å; Q581-E584 VanDerWaalsContact O-N 3.1Å; Q581-E585 PolarHBondContact O-N 3.2Å |
| 582 | R | 92.1 | Very high | 89.8 | Confident | 161 Ų | 161 | 121 Ų | 121 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.4 | -36.6 | 177.5 | -71.8 | 175.4 | -179.8 | -105.3 | 5.4 | 112.6 | E578 E586 | E578-R582 WeakPolarHBondContact O-CG 3.47Å; E578-R582 PolarHBondContact O-N 3.41Å; E578-R582 IonicContact OE1-CZ 3.16Å; E578-R582 IonicContact OE1-NE 2.72Å; E578-R582 PolarHBondContact OE1-NE 3.19Å; E578-R582 IonicContact OE1-NH2 2.68Å; E578-R582 PolarHBondContact OE1-NH2 2.9Å; R582-E586 WeakPolarHBondContact O-CB 3.23Å; R582-E586 PolarHBondContact O-N 2.59Å |
| 583 | K | 90.8 | Very high | 89.7 | Confident | 127 Ų | 127 | 115.1 Ų | 115.1 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.8 | -34.8 | 179.8 | -172.1 | 173.3 | -169.6 | 163.7 | 0 | 113.2 | E579 R580 Q581 E586 E587 | E579-K583 WeakPolarHBondContact O-CB 3.44Å; E579-K583 PolarHBondContact O-N 2.86Å; E579-K583 VanDerWaalsContact O-N 3.08Å; R580-K583 PolarHBondContact O-N 2.87Å; Q581-K583 PolarHBondContact O-N 2.95Å; Q581-K583 VanDerWaalsContact O-N 3.17Å; K583-E586 PolarHBondContact O-N 3.06Å; K583-E587 WeakPolarHBondContact O-CB 3.48Å; K583-E587 PolarHBondContact O-N 3.3Å |
| 584 | E | 85.6 | Confident | 89.7 | Confident | 122 Ų | 122 | 118.6 Ų | 118.6 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.8 | -39.5 | 172.3 | -169 | 168 | 173.9 | 0 | 0 | 110.6 | R580 Q581 E587 R588 | R580-E584 WeakPolarHBondContact O-CB 3.45Å; R580-E584 PolarHBondContact O-N 2.95Å; Q581-E584 PolarHBondContact O-N 3.32Å; Q581-E584 VanDerWaalsContact O-N 3.1Å; E584-E587 PolarHBondContact O-N 3.45Å; E584-R588 WeakPolarHBondContact O-CB 3.48Å; E584-R588 WeakPolarHBondContact O-CG 3.39Å; E584-R588 PolarHBondContact O-N 2.89Å |
| 585 | E | 87.2 | Confident | 89.8 | Confident | 140 Ų | 140 | 118.3 Ų | 118.3 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 170.7 | -69.3 | -177 | 153.3 | 0 | 0 | 112.8 | Q581 R588 L589 | Q581-E585 PolarHBondContact O-N 3.2Å; E585-R588 PolarHBondContact O-N 3.45Å; E585-L589 WeakPolarHBondContact O-CB 3.35Å; E585-L589 PolarHBondContact O-N 3.27Å |
| 586 | E | 85.9 | Confident | 89.9 | Confident | 141 Ų | 141 | 117.8 Ų | 117.8 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 174.7 | -171.9 | -176.9 | 179.7 | 0 | 0 | 111.6 | R582 K583 L589 A590 | R582-E586 WeakPolarHBondContact O-CB 3.23Å; R582-E586 PolarHBondContact O-N 2.59Å; K583-E586 PolarHBondContact O-N 3.06Å; E586-L589 PolarHBondContact O-N 3.07Å; E586-A590 VanDerWaalsContact O-CB 3.26Å; E586-A590 WeakPolarHBondContact O-CB 3.26Å; E586-A590 PolarHBondContact O-N 2.96Å |
| 587 | E | 87.3 | Confident | 89.8 | Confident | 132 Ų | 132 | 120.7 Ų | 120.7 | 62% | 0.617 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | 176.9 | -170.3 | 156.2 | -146 | 0 | 0 | 111.2 | K583 E584 A590 E591 | K583-E587 WeakPolarHBondContact O-CB 3.48Å; K583-E587 PolarHBondContact O-N 3.3Å; E584-E587 PolarHBondContact O-N 3.45Å; E587-A590 PolarHBondContact O-N 3.34Å; E587-E591 WeakPolarHBondContact O-CG 3.42Å; E587-E591 PolarHBondContact O-N 2.64Å |
| 588 | R | 94.3 | Very high | 89.9 | Confident | 151 Ų | 151 | 121.2 Ų | 121.2 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.9 | -47.7 | 172.5 | -77.4 | -70.3 | -58.7 | 148.9 | 5.9 | 112.8 | E584 E585 A590 E591 E592 | E584-R588 WeakPolarHBondContact O-CB 3.48Å; E584-R588 WeakPolarHBondContact O-CG 3.39Å; E584-R588 PolarHBondContact O-N 2.89Å; E585-R588 PolarHBondContact O-N 3.45Å; R588-A590 VanDerWaalsContact C-N 3.32Å; R588-A590 PolarHBondContact O-N 3.12Å; R588-E591 PolarHBondContact O-N 2.92Å; R588-E592 PolarHBondContact O-N 2.89Å |
| 589 | L | 96.3 | Very high | 89.9 | Confident | 114 Ų | 114 | 123.1 Ų | 123.1 | 60% | 0.597 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.5 | -36.1 | 177.8 | -176.2 | 63.8 | 0 | 0 | 0 | 111.6 | E585 E586 A593 | E585-L589 WeakPolarHBondContact O-CB 3.35Å; E585-L589 PolarHBondContact O-N 3.27Å; E586-L589 PolarHBondContact O-N 3.07Å; L589-A593 VanDerWaalsContact O-CB 3.28Å; L589-A593 WeakPolarHBondContact O-CB 3.49Å; L589-A593 PolarHBondContact O-N 3.47Å |
| 590 | A | 92 | Very high | 89.9 | Confident | 50 Ų | 50 | 122.6 Ų | 122.6 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.1 | -35.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E586 E587 R588 R594 | E586-A590 VanDerWaalsContact O-CB 3.26Å; E586-A590 WeakPolarHBondContact O-CB 3.26Å; E586-A590 PolarHBondContact O-N 2.96Å; E587-A590 PolarHBondContact O-N 3.34Å; R588-A590 VanDerWaalsContact C-N 3.32Å; R588-A590 PolarHBondContact O-N 3.12Å; A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 2.79Å |
| 591 | E | 88.9 | Confident | 89.5 | Confident | 103 Ų | 103 | 122.7 Ų | 122.7 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.8 | -46.4 | 171.9 | -73.8 | -164.8 | 143.2 | 0 | 0 | 111.8 | E587 R588 A593 R594 L595 | E587-E591 WeakPolarHBondContact O-CG 3.42Å; E587-E591 PolarHBondContact O-N 2.64Å; R588-E591 PolarHBondContact O-N 2.92Å; E591-A593 PolarHBondContact O-N 2.66Å; E591-R594 WeakPolarHBondContact O-CB 3.27Å; E591-R594 PolarHBondContact O-N 2.83Å; E591-R594 VanDerWaalsContact O-N 3.07Å; E591-L595 PolarHBondContact O-N 3.45Å |
| 592 | E | 84.2 | Confident | 89.7 | Confident | 112 Ų | 112 | 124.9 Ų | 124.9 | 52% | 0.523 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.3 | -46.6 | 176.4 | -169.3 | -174.1 | 133.1 | 0 | 0 | 111.5 | R588 R594 L595 K596 | R588-E592 PolarHBondContact O-N 2.89Å; E592-R594 PolarHBondContact O-N 3.37Å; E592-L595 PolarHBondContact O-N 2.94Å; E592-L595 VanDerWaalsContact O-N 3.16Å; E592-K596 WeakPolarHBondContact O-CB 3.46Å; E592-K596 PolarHBondContact O-N 3.29Å |
| 593 | A | 89.9 | Confident | 89.8 | Confident | 43 Ų | 43 | 125.5 Ų | 125.5 | 36% | 0.355 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63 | -24.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L589 E591 R597 | L589-A593 VanDerWaalsContact O-CB 3.28Å; L589-A593 WeakPolarHBondContact O-CB 3.49Å; L589-A593 PolarHBondContact O-N 3.47Å; E591-A593 PolarHBondContact O-N 2.66Å; A593-R597 WeakPolarHBondContact O-CG 3.45Å; A593-R597 PolarHBondContact O-N 3Å |
| 594 | R | 92.2 | Very high | 89.9 | Confident | 174 Ų | 174 | 123.4 Ų | 123.4 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -82.2 | -38.5 | 173.4 | -72.9 | 174.5 | 75.9 | -167.8 | 2.3 | 112.2 | A590 E591 E592 R597 L598 | A590-R594 WeakPolarHBondContact O-CG 3.25Å; A590-R594 PolarHBondContact O-N 2.79Å; E591-R594 WeakPolarHBondContact O-CB 3.27Å; E591-R594 PolarHBondContact O-N 2.83Å; E591-R594 VanDerWaalsContact O-N 3.07Å; E592-R594 PolarHBondContact O-N 3.37Å; R594-R597 PolarHBondContact O-N 2.79Å; R594-L598 WeakPolarHBondContact O-CG 3.3Å; R594-L598 PolarHBondContact O-N 3.17Å |
| 595 | L | 93.2 | Very high | 90 | Very high | 119 Ų | 119 | 120.4 Ų | 120.4 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.8 | -48.3 | 172.3 | -71.5 | 171.2 | 0 | 0 | 0 | 110.8 | E591 E592 R597 L598 E599 | E591-L595 PolarHBondContact O-N 3.45Å; E592-L595 PolarHBondContact O-N 2.94Å; E592-L595 VanDerWaalsContact O-N 3.16Å; L595-R597 VanDerWaalsContact C-N 3.3Å; L595-R597 PolarHBondContact O-N 3.26Å; L595-L598 PolarHBondContact O-N 2.86Å; L595-E599 PolarHBondContact O-N 2.98Å |
| 596 | K | 94 | Very high | 90.1 | Very high | 135 Ų | 135 | 119.5 Ų | 119.5 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.4 | -38.3 | 178.7 | -169.4 | 166.5 | -173.1 | 165.7 | 0 | 113.1 | E592 E599 E600 | E592-K596 WeakPolarHBondContact O-CB 3.46Å; E592-K596 PolarHBondContact O-N 3.29Å; K596-E599 PolarHBondContact O-N 3.5Å; K596-E600 WeakPolarHBondContact O-CB 3.46Å; K596-E600 PolarHBondContact O-N 3.4Å |
| 597 | R | 87.9 | Confident | 90.2 | Very high | 176 Ų | 176 | 117 Ų | 117 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.2 | -37.6 | 173.4 | -77.9 | 176.4 | 179.9 | 162.8 | 4.8 | 113.3 | A593 R594 L595 E599 E601 | A593-R597 WeakPolarHBondContact O-CG 3.45Å; A593-R597 PolarHBondContact O-N 3Å; R594-R597 PolarHBondContact O-N 2.79Å; L595-R597 VanDerWaalsContact C-N 3.3Å; L595-R597 PolarHBondContact O-N 3.26Å; R597-E599 VanDerWaalsContact C-N 3.33Å; R597-E601 VanDerWaalsContact O-CB 3.26Å; R597-E601 WeakPolarHBondContact O-CB 3.45Å; R597-E601 PolarHBondContact O-N 3.11Å |
| 598 | L | 90.4 | Very high | 90.3 | Very high | 94 Ų | 94 | 119.5 Ų | 119.5 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.7 | -28.2 | 176.4 | -68.7 | 165.6 | 0 | 0 | 0 | 111.9 | R594 L595 K602 | R594-L598 WeakPolarHBondContact O-CG 3.3Å; R594-L598 PolarHBondContact O-N 3.17Å; L595-L598 PolarHBondContact O-N 2.86Å; L598-K602 WeakPolarHBondContact O-CB 3.43Å; L598-K602 WeakPolarHBondContact O-CD 3.34Å; L598-K602 WeakPolarHBondContact O-CG 3.49Å; L598-K602 PolarHBondContact O-N 2.85Å; L598-K602 VanDerWaalsContact O-N 3.09Å |
| 599 | E | 88.4 | Confident | 90.2 | Very high | 128 Ų | 128 | 118.2 Ų | 118.2 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.7 | -44.6 | 171.5 | -174.8 | 175 | -157.7 | 0 | 0 | 111.8 | L595 K596 R597 K602 R603 | L595-E599 PolarHBondContact O-N 2.98Å; K596-E599 PolarHBondContact O-N 3.5Å; R597-E599 VanDerWaalsContact C-N 3.33Å; E599-K602 WeakPolarHBondContact O-CB 3.5Å; E599-K602 PolarHBondContact O-N 3.25Å; E599-R603 PolarHBondContact O-N 3.39Å |
| 600 | E | 86.8 | Confident | 90.1 | Very high | 118 Ų | 118 | 116.8 Ų | 116.8 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 173.1 | -171.9 | -178.4 | 174.3 | 0 | 0 | 111.7 | K596 K602 R603 L604 | K596-E600 WeakPolarHBondContact O-CB 3.46Å; K596-E600 PolarHBondContact O-N 3.4Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 3.45Å; E600-R603 PolarHBondContact O-N 2.95Å; E600-L604 HydrophobicContact CG-CD1 4.33Å; E600-L604 WeakPolarHBondContact O-CB 3.4Å; E600-L604 WeakPolarHBondContact O-CG 3.2Å; E600-L604 PolarHBondContact O-N 2.65Å |
| 601 | E | 84.3 | Confident | 90.1 | Very high | 130 Ų | 130 | 119.5 Ų | 119.5 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.1 | -38.5 | 174.6 | -175.3 | 170.8 | -159.6 | 0 | 0 | 112 | R597 A605 | R597-E601 VanDerWaalsContact O-CB 3.26Å; R597-E601 WeakPolarHBondContact O-CB 3.45Å; R597-E601 PolarHBondContact O-N 3.11Å; E601-A605 WeakPolarHBondContact O-CB 3.47Å; E601-A605 PolarHBondContact O-N 3.38Å |
| 602 | K | 92.1 | Very high | 90.1 | Very high | 152 Ų | 152 | 121.5 Ų | 121.5 | 66% | 0.661 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -47.2 | 172.8 | -79.8 | 170.7 | -179.1 | -177.4 | 0 | 112.3 | L598 E599 E600 L604 A605 E606 | L598-K602 WeakPolarHBondContact O-CB 3.43Å; L598-K602 WeakPolarHBondContact O-CD 3.34Å; L598-K602 WeakPolarHBondContact O-CG 3.49Å; L598-K602 PolarHBondContact O-N 2.85Å; L598-K602 VanDerWaalsContact O-N 3.09Å; E599-K602 WeakPolarHBondContact O-CB 3.5Å; E599-K602 PolarHBondContact O-N 3.25Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 3.45Å; K602-L604 VanDerWaalsContact C-N 3.3Å; K602-L604 PolarHBondContact O-N 3.09Å; K602-A605 WeakPolarHBondContact O-CB 3.36Å; K602-A605 PolarHBondContact O-N 3.38Å; K602-A605 VanDerWaalsContact O-N 3.11Å; K602-E606 WeakPolarHBondContact O-CB 3.42Å; K602-E606 PolarHBondContact O-N 2.85Å |
| 603 | R | 95.2 | Very high | 90.3 | Very high | 174 Ų | 174 | 121.3 Ų | 121.3 | 66% | 0.657 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.2 | -40.3 | 177 | -74.8 | -142.8 | 70.1 | -158.8 | -2.4 | 111.9 | E599 E600 A605 E606 E607 | E599-R603 PolarHBondContact O-N 3.39Å; E600-R603 PolarHBondContact O-N 2.95Å; R603-A605 VanDerWaalsContact C-N 3.33Å; R603-A605 PolarHBondContact O-N 3.46Å; R603-E606 PolarHBondContact O-N 2.88Å; R603-E607 VanDerWaalsContact O-CB 3.29Å; R603-E607 WeakPolarHBondContact O-CB 3.35Å; R603-E607 PolarHBondContact O-N 2.93Å |
| 604 | L | 91.3 | Very high | 90.3 | Very high | 84 Ų | 84 | 125.6 Ų | 125.6 | 44% | 0.44 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.7 | -28.1 | 175.9 | -70.8 | 170.4 | 0 | 0 | 0 | 113.2 | E600 K602 R608 | E600-L604 HydrophobicContact CG-CD1 4.33Å; E600-L604 WeakPolarHBondContact O-CB 3.4Å; E600-L604 WeakPolarHBondContact O-CG 3.2Å; E600-L604 PolarHBondContact O-N 2.65Å; K602-L604 VanDerWaalsContact C-N 3.3Å; K602-L604 PolarHBondContact O-N 3.09Å; L604-R608 WeakPolarHBondContact O-CB 3.46Å; L604-R608 WeakPolarHBondContact O-CD 3.34Å; L604-R608 WeakPolarHBondContact O-CG 3.32Å; L604-R608 PolarHBondContact O-N 3.47Å |
| 605 | A | 88.2 | Confident | 90.2 | Very high | 59 Ų | 59 | 124.3 Ų | 124.3 | 49% | 0.488 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -75.1 | -40.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | E601 K602 R603 R608 K609 | E601-A605 WeakPolarHBondContact O-CB 3.47Å; E601-A605 PolarHBondContact O-N 3.38Å; K602-A605 WeakPolarHBondContact O-CB 3.36Å; K602-A605 PolarHBondContact O-N 3.38Å; K602-A605 VanDerWaalsContact O-N 3.11Å; R603-A605 VanDerWaalsContact C-N 3.33Å; R603-A605 PolarHBondContact O-N 3.46Å; A605-R608 PolarHBondContact O-N 3.4Å; A605-K609 PolarHBondContact O-N 2.88Å |
| 606 | E | 89 | Confident | 90.2 | Very high | 120 Ų | 120 | 121.4 Ų | 121.4 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.5 | -48.2 | 175.7 | -177 | 175.7 | -143.6 | 0 | 0 | 111.7 | K602 R603 R608 K609 V610 | K602-E606 WeakPolarHBondContact O-CB 3.42Å; K602-E606 PolarHBondContact O-N 2.85Å; R603-E606 PolarHBondContact O-N 2.88Å; E606-R608 VanDerWaalsContact C-N 3.26Å; E606-R608 PolarHBondContact O-N 2.95Å; E606-K609 WeakPolarHBondContact O-CB 3.43Å; E606-K609 PolarHBondContact O-N 3.15Å; E606-V610 WeakPolarHBondContact O-CG2 3.45Å; E606-V610 PolarHBondContact O-N 3.33Å |
| 607 | E | 88.2 | Confident | 90.2 | Very high | 90 Ų | 90 | 122.9 Ų | 122.9 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.4 | -38.1 | 175.6 | -169.9 | -160.4 | 138.3 | 0 | 0 | 111.9 | R603 K611 | R603-E607 VanDerWaalsContact O-CB 3.29Å; R603-E607 WeakPolarHBondContact O-CB 3.35Å; R603-E607 PolarHBondContact O-N 2.93Å; E607-K611 HydrophobicContact CG-CD 4.43Å; E607-K611 WeakPolarHBondContact O-CG 3.19Å; E607-K611 PolarHBondContact O-N 2.93Å; E607-K611 VanDerWaalsContact O-N 3.12Å; E607-K611 IonicContact OE1-NZ 2.92Å; E607-K611 PolarHBondContact OE1-NZ 3.11Å |
| 608 | R | 89.3 | Confident | 90.6 | Very high | 183 Ų | 183 | 120 Ų | 120 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.8 | -42.7 | 173.3 | -77.3 | 174.3 | -175.7 | -170.5 | 3.8 | 112.4 | L604 A605 E606 V610 K611 E612 | L604-R608 WeakPolarHBondContact O-CB 3.46Å; L604-R608 WeakPolarHBondContact O-CD 3.34Å; L604-R608 WeakPolarHBondContact O-CG 3.32Å; L604-R608 PolarHBondContact O-N 3.47Å; A605-R608 PolarHBondContact O-N 3.4Å; E606-R608 VanDerWaalsContact C-N 3.26Å; E606-R608 PolarHBondContact O-N 2.95Å; R608-V610 VanDerWaalsContact C-N 3.35Å; R608-K611 PolarHBondContact O-N 3.37Å; R608-E612 WeakPolarHBondContact O-CB 3.41Å; R608-E612 PolarHBondContact O-N 2.93Å |
| 609 | K | 93.3 | Very high | 90.7 | Very high | 124 Ų | 124 | 117.6 Ų | 117.6 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61 | -44.6 | 176.7 | -177.2 | -176.9 | 174.8 | -67.7 | 0 | 110.9 | A605 E606 K611 E612 E613 | A605-K609 PolarHBondContact O-N 2.88Å; E606-K609 WeakPolarHBondContact O-CB 3.43Å; E606-K609 PolarHBondContact O-N 3.15Å; K609-K611 VanDerWaalsContact C-N 3.33Å; K609-K611 PolarHBondContact O-N 3.35Å; K609-E612 PolarHBondContact O-N 2.93Å; K609-E613 IonicContact NZ-OE2 2.88Å; K609-E613 PolarHBondContact NZ-OE2 3.35Å; K609-E613 VanDerWaalsContact O-CB 3.23Å; K609-E613 WeakPolarHBondContact O-CB 3.46Å; K609-E613 PolarHBondContact O-N 2.9Å |
| 610 | V | 93.4 | Very high | 90.7 | Very high | 85 Ų | 85 | 116.5 Ų | 116.5 | 52% | 0.515 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.4 | -44.1 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | E606 R608 E613 E614 | E606-V610 WeakPolarHBondContact O-CG2 3.45Å; E606-V610 PolarHBondContact O-N 3.33Å; R608-V610 VanDerWaalsContact C-N 3.35Å; V610-E613 PolarHBondContact O-N 3.4Å; V610-E614 WeakPolarHBondContact O-CB 3.46Å; V610-E614 PolarHBondContact O-N 2.89Å |
| 611 | K | 92.9 | Very high | 91 | Very high | 106 Ų | 106 | 116.4 Ų | 116.4 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.4 | -36.4 | 178.1 | -72.8 | 171 | 178.5 | 177.5 | 0 | 113.6 | E607 R608 K609 E613 E615 | E607-K611 HydrophobicContact CG-CD 4.43Å; E607-K611 WeakPolarHBondContact O-CG 3.19Å; E607-K611 PolarHBondContact O-N 2.93Å; E607-K611 VanDerWaalsContact O-N 3.12Å; E607-K611 IonicContact OE1-NZ 2.92Å; E607-K611 PolarHBondContact OE1-NZ 3.11Å; R608-K611 PolarHBondContact O-N 3.37Å; K609-K611 VanDerWaalsContact C-N 3.33Å; K609-K611 PolarHBondContact O-N 3.35Å; K611-E613 VanDerWaalsContact C-N 3.33Å; K611-E615 VanDerWaalsContact O-CB 3.26Å; K611-E615 WeakPolarHBondContact O-CB 3.19Å; K611-E615 PolarHBondContact O-N 2.72Å |
| 612 | E | 88.8 | Confident | 91.3 | Very high | 146 Ų | 146 | 116.2 Ų | 116.2 | 68% | 0.682 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.5 | -33.2 | 173.8 | -172.3 | 170.9 | -176.9 | 0 | 0 | 111.5 | R608 K609 A616 | R608-E612 WeakPolarHBondContact O-CB 3.41Å; R608-E612 PolarHBondContact O-N 2.93Å; K609-E612 PolarHBondContact O-N 2.93Å; E612-A616 WeakPolarHBondContact O-CB 3.41Å; E612-A616 PolarHBondContact O-N 3.48Å |
| 613 | E | 86.8 | Confident | 91.3 | Very high | 107 Ų | 107 | 117.7 Ų | 117.7 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.8 | -35.4 | 175.8 | -166.3 | 165.5 | 159.3 | 0 | 0 | 112.3 | K609 V610 K611 R617 | K609-E613 IonicContact NZ-OE2 2.88Å; K609-E613 PolarHBondContact NZ-OE2 3.35Å; K609-E613 VanDerWaalsContact O-CB 3.23Å; K609-E613 WeakPolarHBondContact O-CB 3.46Å; K609-E613 PolarHBondContact O-N 2.9Å; V610-E613 PolarHBondContact O-N 3.4Å; K611-E613 VanDerWaalsContact C-N 3.33Å; E613-R617 WeakPolarHBondContact O-CB 3.29Å; E613-R617 WeakPolarHBondContact O-CG 3.26Å; E613-R617 PolarHBondContact O-N 3.4Å |
| 614 | E | 90.2 | Very high | 91.1 | Very high | 133 Ų | 133 | 114.3 Ų | 114.3 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68 | -47.6 | 171.1 | -174 | -179.8 | -171.3 | 0 | 0 | 111.8 | V610 A616 R617 L618 | V610-E614 WeakPolarHBondContact O-CB 3.46Å; V610-E614 PolarHBondContact O-N 2.89Å; E614-A616 VanDerWaalsContact C-N 3.3Å; E614-A616 PolarHBondContact O-N 3.18Å; E614-R617 PolarHBondContact O-N 3.15Å; E614-L618 PolarHBondContact O-N 3.02Å |
| 615 | E | 90.1 | Very high | 91.4 | Very high | 147 Ų | 147 | 118.6 Ų | 118.6 | 69% | 0.687 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.5 | -38 | 174.6 | -171.1 | 171.9 | 179.9 | 0 | 0 | 111 | K611 A619 | K611-E615 VanDerWaalsContact O-CB 3.26Å; K611-E615 WeakPolarHBondContact O-CB 3.19Å; K611-E615 PolarHBondContact O-N 2.72Å; E615-A619 WeakPolarHBondContact O-CB 3.36Å; E615-A619 PolarHBondContact O-N 3.3Å |
| 616 | A | 92.9 | Very high | 91.7 | Very high | 59 Ų | 59 | 120.5 Ų | 120.5 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -40.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E612 E614 A619 E620 | E612-A616 WeakPolarHBondContact O-CB 3.41Å; E612-A616 PolarHBondContact O-N 3.48Å; E614-A616 VanDerWaalsContact C-N 3.3Å; E614-A616 PolarHBondContact O-N 3.18Å; A616-A619 PolarHBondContact O-N 2.9Å; A616-E620 PolarHBondContact O-N 2.9Å |
| 617 | R | 94.9 | Very high | 91.9 | Very high | 165 Ų | 165 | 121.3 Ų | 121.3 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.1 | -43.3 | 175.1 | -85.7 | -144 | 62.6 | -158.6 | -13.8 | 112.2 | E613 E614 A619 E620 E621 | E613-R617 WeakPolarHBondContact O-CB 3.29Å; E613-R617 WeakPolarHBondContact O-CG 3.26Å; E613-R617 PolarHBondContact O-N 3.4Å; E614-R617 PolarHBondContact O-N 3.15Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 3.02Å; R617-E620 PolarHBondContact O-N 3.18Å; R617-E621 PolarHBondContact O-N 3.02Å |
| 618 | L | 96.1 | Very high | 92 | Very high | 115 Ų | 115 | 123.1 Ų | 123.1 | 60% | 0.602 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.5 | -39.6 | 176.6 | -172.4 | 66.4 | 0 | 0 | 0 | 111.4 | E614 E621 E622 | E614-L618 PolarHBondContact O-N 3.02Å; L618-E621 PolarHBondContact O-N 3.2Å; L618-E622 WeakPolarHBondContact O-CB 3.49Å; L618-E622 PolarHBondContact O-N 2.88Å |
| 619 | A | 92.4 | Very high | 92.1 | Very high | 45 Ų | 45 | 120 Ų | 120 | 37% | 0.372 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69 | -30.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E615 A616 R617 R623 | E615-A619 WeakPolarHBondContact O-CB 3.36Å; E615-A619 PolarHBondContact O-N 3.3Å; A616-A619 PolarHBondContact O-N 2.9Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 3.02Å; A619-R623 WeakPolarHBondContact O-CB 3.32Å; A619-R623 VanDerWaalsContact O-CG 3.28Å; A619-R623 WeakPolarHBondContact O-CG 3.43Å; A619-R623 PolarHBondContact O-N 3.26Å |
| 620 | E | 89.8 | Confident | 92 | Very high | 105 Ų | 105 | 119 Ų | 119 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -40.4 | 171.1 | -165.9 | -170.6 | 135.3 | 0 | 0 | 111.3 | A616 R617 R623 K624 | A616-E620 PolarHBondContact O-N 2.9Å; R617-E620 PolarHBondContact O-N 3.18Å; E620-R623 PolarHBondContact O-N 3.14Å; E620-K624 WeakPolarHBondContact O-CG 3.45Å; E620-K624 PolarHBondContact O-N 2.86Å; E620-K624 VanDerWaalsContact OE1-CE 3.22Å; E620-K624 WeakPolarHBondContact OE1-CE 3.31Å; E620-K624 IonicContact OE1-NZ 2.6Å; E620-K624 PolarHBondContact OE1-NZ 2.91Å |
| 621 | E | 91.3 | Very high | 92.1 | Very high | 115 Ų | 115 | 117.4 Ų | 117.4 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -43.7 | 177.6 | -165.9 | 171.5 | 137.6 | 0 | 0 | 112.2 | R617 L618 R623 K624 R625 | R617-E621 PolarHBondContact O-N 3.02Å; L618-E621 PolarHBondContact O-N 3.2Å; E621-R623 VanDerWaalsContact C-N 3.31Å; E621-R623 PolarHBondContact O-N 3.17Å; E621-K624 PolarHBondContact O-N 3.5Å; E621-R625 PolarHBondContact O-N 3.03Å |
| 622 | E | 91.8 | Very high | 92.3 | Very high | 126 Ų | 126 | 116.3 Ų | 116.3 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.7 | -42.1 | 172.3 | -175.4 | -180 | -166.6 | 0 | 0 | 111.5 | L618 R625 L626 | L618-E622 WeakPolarHBondContact O-CB 3.49Å; L618-E622 PolarHBondContact O-N 2.88Å; E622-R625 PolarHBondContact O-N 3.42Å; E622-L626 HydrophobicContact CG-CD1 4.39Å; E622-L626 WeakPolarHBondContact O-CG 3.44Å; E622-L626 PolarHBondContact O-N 3.08Å |
| 623 | R | 91.9 | Very high | 92.7 | Very high | 184 Ų | 184 | 116.6 Ų | 116.6 | 69% | 0.694 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.4 | -39.8 | 177.4 | -74.2 | -173.1 | 72.1 | -138.7 | -8.2 | 112.9 | A619 E620 E621 L626 E627 | A619-R623 WeakPolarHBondContact O-CB 3.32Å; A619-R623 VanDerWaalsContact O-CG 3.28Å; A619-R623 WeakPolarHBondContact O-CG 3.43Å; A619-R623 PolarHBondContact O-N 3.26Å; E620-R623 PolarHBondContact O-N 3.14Å; E621-R623 VanDerWaalsContact C-N 3.31Å; E621-R623 PolarHBondContact O-N 3.17Å; R623-L626 PolarHBondContact O-N 3.48Å; R623-E627 WeakPolarHBondContact O-CB 3.42Å; R623-E627 PolarHBondContact O-N 3.43Å |
| 624 | K | 91.4 | Very high | 92.8 | Very high | 102 Ų | 102 | 116.2 Ų | 116.2 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -43.9 | 173.6 | -75.9 | 176.1 | -174 | 167.3 | 0 | 111.6 | E620 E621 L626 E627 E628 | E620-K624 WeakPolarHBondContact O-CG 3.45Å; E620-K624 PolarHBondContact O-N 2.86Å; E620-K624 VanDerWaalsContact OE1-CE 3.22Å; E620-K624 WeakPolarHBondContact OE1-CE 3.31Å; E620-K624 IonicContact OE1-NZ 2.6Å; E620-K624 PolarHBondContact OE1-NZ 2.91Å; E621-K624 PolarHBondContact O-N 3.5Å; K624-L626 VanDerWaalsContact C-N 3.3Å; K624-L626 PolarHBondContact O-N 3.3Å; K624-E627 CarbonylContact O-C 3.59Å; K624-E627 PolarHBondContact O-N 3.31Å; K624-E627 VanDerWaalsContact O-N 3.12Å; K624-E628 WeakPolarHBondContact O-CB 3.31Å; K624-E628 WeakPolarHBondContact O-CG 3.47Å; K624-E628 PolarHBondContact O-N 2.93Å |
| 625 | R | 96 | Very high | 93 | Very high | 174 Ų | 174 | 112.2 Ų | 112.2 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.7 | -39.6 | 176.2 | -174.9 | -179.3 | 170.2 | -150.7 | -9.4 | 112.4 | E621 E622 E629 | E621-R625 PolarHBondContact O-N 3.03Å; E622-R625 PolarHBondContact O-N 3.42Å; R625-E629 WeakPolarHBondContact O-CB 3.4Å; R625-E629 PolarHBondContact O-N 3.43Å |
| 626 | L | 94.8 | Very high | 93.3 | Very high | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.5 | -35.7 | 175.3 | -71.3 | 169.3 | 0 | 0 | 0 | 112.6 | E622 R623 K624 E630 | E622-L626 HydrophobicContact CG-CD1 4.39Å; E622-L626 WeakPolarHBondContact O-CG 3.44Å; E622-L626 PolarHBondContact O-N 3.08Å; R623-L626 PolarHBondContact O-N 3.48Å; K624-L626 VanDerWaalsContact C-N 3.3Å; K624-L626 PolarHBondContact O-N 3.3Å; L626-E630 WeakPolarHBondContact O-CB 3.37Å; L626-E630 PolarHBondContact O-N 2.94Å |
| 627 | E | 92.8 | Very high | 93.3 | Very high | 138 Ų | 138 | 112 Ų | 112 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 174.5 | -172.2 | 166.2 | -167 | 0 | 0 | 111.6 | R623 K624 A631 | R623-E627 WeakPolarHBondContact O-CB 3.42Å; R623-E627 PolarHBondContact O-N 3.43Å; K624-E627 CarbonylContact O-C 3.59Å; K624-E627 PolarHBondContact O-N 3.31Å; K624-E627 VanDerWaalsContact O-N 3.12Å; E627-A631 WeakPolarHBondContact O-CB 3.35Å; E627-A631 PolarHBondContact O-N 2.91Å |
| 628 | E | 91 | Very high | 93.2 | Very high | 127 Ų | 127 | 110.3 Ų | 110.3 | 59% | 0.593 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 171.3 | -72.8 | 168.9 | -169.7 | 0 | 0 | 112 | K624 A631 V632 | K624-E628 WeakPolarHBondContact O-CB 3.31Å; K624-E628 WeakPolarHBondContact O-CG 3.47Å; K624-E628 PolarHBondContact O-N 2.93Å; E628-A631 PolarHBondContact O-N 3.16Å; E628-V632 WeakPolarHBondContact O-CB 3.36Å; E628-V632 WeakPolarHBondContact O-CG2 3.35Å; E628-V632 PolarHBondContact O-N 3.3Å |
| 629 | E | 92.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 111 Ų | 111 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 175.9 | -170.9 | 177 | 142.6 | 0 | 0 | 111.4 | R625 R633 | R625-E629 WeakPolarHBondContact O-CB 3.4Å; R625-E629 PolarHBondContact O-N 3.43Å; E629-R633 WeakPolarHBondContact O-CB 3.48Å; E629-R633 PolarHBondContact O-N 3.02Å |
| 630 | E | 90.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 115.4 Ų | 115.4 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 173.1 | -167.8 | 177.6 | 162.8 | 0 | 0 | 111.7 | L626 V632 R633 Q634 | L626-E630 WeakPolarHBondContact O-CB 3.37Å; L626-E630 PolarHBondContact O-N 2.94Å; E630-V632 PolarHBondContact O-N 3.38Å; E630-R633 CarbonylContact O-C 3.55Å; E630-R633 WeakPolarHBondContact O-CB 3.4Å; E630-R633 PolarHBondContact O-N 3.17Å; E630-R633 VanDerWaalsContact O-N 3.13Å; E630-Q634 HydrophobicContact CG-CG 4.42Å; E630-Q634 WeakPolarHBondContact O-CG 3.47Å; E630-Q634 PolarHBondContact O-N 3.21Å; E630-Q634 PolarHBondContact OE1-NE2 3.42Å |
| 631 | A | 95.2 | Very high | 93.3 | Very high | 53 Ų | 53 | 119.3 Ų | 119.3 | 44% | 0.438 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.8 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | E627 E628 R633 Q634 A635 | E627-A631 WeakPolarHBondContact O-CB 3.35Å; E627-A631 PolarHBondContact O-N 2.91Å; E628-A631 PolarHBondContact O-N 3.16Å; A631-R633 VanDerWaalsContact C-N 3.33Å; A631-R633 PolarHBondContact O-N 3.46Å; A631-Q634 PolarHBondContact O-N 3.07Å; A631-A635 WeakPolarHBondContact O-CB 3.36Å; A631-A635 PolarHBondContact O-N 2.87Å |
| 632 | V | 97.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 120.3 Ų | 120.3 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.6 | -41.2 | 172.5 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | E628 E630 A635 Q636 | E628-V632 WeakPolarHBondContact O-CB 3.36Å; E628-V632 WeakPolarHBondContact O-CG2 3.35Å; E628-V632 PolarHBondContact O-N 3.3Å; E630-V632 PolarHBondContact O-N 3.38Å; V632-A635 PolarHBondContact O-N 3.07Å; V632-Q636 WeakPolarHBondContact O-CG 3.35Å; V632-Q636 PolarHBondContact O-N 2.99Å |
| 633 | R | 96.4 | Very high | 93.3 | Very high | 151 Ų | 151 | 120.4 Ų | 120.4 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -37 | 176.2 | -161.1 | -175.7 | 74.5 | 115.2 | 2.8 | 112.5 | E629 E630 A631 L637 | E629-R633 WeakPolarHBondContact O-CB 3.48Å; E629-R633 PolarHBondContact O-N 3.02Å; E630-R633 CarbonylContact O-C 3.55Å; E630-R633 WeakPolarHBondContact O-CB 3.4Å; E630-R633 PolarHBondContact O-N 3.17Å; E630-R633 VanDerWaalsContact O-N 3.13Å; A631-R633 VanDerWaalsContact C-N 3.33Å; A631-R633 PolarHBondContact O-N 3.46Å; R633-L637 WeakPolarHBondContact O-CG 3.45Å; R633-L637 PolarHBondContact O-N 2.94Å |
| 634 | Q | 90 | Very high | 93.2 | Very high | 99 Ų | 99 | 114.5 Ų | 114.5 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 173.6 | -68.9 | -175.8 | 26.7 | 0 | 0 | 111.3 | E630 A631 L637 Q638 | E630-Q634 HydrophobicContact CG-CG 4.42Å; E630-Q634 WeakPolarHBondContact O-CG 3.47Å; E630-Q634 PolarHBondContact O-N 3.21Å; E630-Q634 PolarHBondContact OE1-NE2 3.42Å; A631-Q634 PolarHBondContact O-N 3.07Å; Q634-L637 PolarHBondContact O-N 3.43Å; Q634-Q638 WeakPolarHBondContact O-CG 3.45Å; Q634-Q638 PolarHBondContact O-N 3.44Å |
| 635 | A | 93.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 115.9 Ų | 115.9 | 41% | 0.405 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A631 V632 Q638 K639 | A631-A635 WeakPolarHBondContact O-CB 3.36Å; A631-A635 PolarHBondContact O-N 2.87Å; V632-A635 PolarHBondContact O-N 3.07Å; A635-Q638 PolarHBondContact O-N 2.62Å; A635-K639 WeakPolarHBondContact O-CB 3.46Å; A635-K639 PolarHBondContact O-N 3.31Å |
| 636 | Q | 95.9 | Very high | 93 | Very high | 122 Ų | 122 | 110.3 Ų | 110.3 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 170.7 | -76.3 | 174.6 | -1.7 | 0 | 0 | 111.6 | V632 Q638 K639 E640 | V632-Q636 WeakPolarHBondContact O-CG 3.35Å; V632-Q636 PolarHBondContact O-N 2.99Å; Q636-Q638 VanDerWaalsContact C-N 3.3Å; Q636-Q638 PolarHBondContact O-N 2.89Å; Q636-K639 PolarHBondContact O-N 3.4Å; Q636-E640 PolarHBondContact O-N 2.92Å |
| 637 | L | 94 | Very high | 93.1 | Very high | 80 Ų | 80 | 112.4 Ų | 112.4 | 42% | 0.419 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.5 | -25.9 | 176.7 | -69.6 | 169.3 | 0 | 0 | 0 | 113.5 | R633 Q634 R641 | R633-L637 WeakPolarHBondContact O-CG 3.45Å; R633-L637 PolarHBondContact O-N 2.94Å; Q634-L637 PolarHBondContact O-N 3.43Å; L637-R641 WeakPolarHBondContact O-CD 3.42Å; L637-R641 VanDerWaalsContact O-CG 3.32Å; L637-R641 WeakPolarHBondContact O-CG 3.28Å |
| 638 | Q | 91.5 | Very high | 93 | Very high | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.8 | -45.5 | 168.7 | -75.5 | 176.9 | -16.7 | 0 | 0 | 110.8 | Q634 A635 Q636 E640 R641 E642 | Q634-Q638 WeakPolarHBondContact O-CG 3.45Å; Q634-Q638 PolarHBondContact O-N 3.44Å; A635-Q638 PolarHBondContact O-N 2.62Å; Q636-Q638 VanDerWaalsContact C-N 3.3Å; Q636-Q638 PolarHBondContact O-N 2.89Å; Q638-E640 PolarHBondContact O-N 3.29Å; Q638-R641 WeakPolarHBondContact O-CA 3.45Å; Q638-R641 WeakPolarHBondContact O-CB 3.2Å; Q638-R641 PolarHBondContact O-N 2.93Å; Q638-E642 PolarHBondContact O-N 2.94Å |
| 639 | K | 96.1 | Very high | 93.2 | Very high | 131 Ų | 131 | 107.9 Ų | 107.9 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -40 | 178.3 | -172.4 | 178.6 | 176.7 | -176.2 | 0 | 112.7 | A635 Q636 R641 E642 E643 | A635-K639 WeakPolarHBondContact O-CB 3.46Å; A635-K639 PolarHBondContact O-N 3.31Å; Q636-K639 PolarHBondContact O-N 3.4Å; K639-R641 PolarHBondContact O-N 2.89Å; K639-E642 PolarHBondContact O-N 3Å; K639-E643 VanDerWaalsContact O-CB 3.23Å; K639-E643 WeakPolarHBondContact O-CB 3.3Å; K639-E643 PolarHBondContact O-N 3.48Å |
| 640 | E | 93.9 | Very high | 93.1 | Very high | 137 Ų | 137 | 106.7 Ų | 106.7 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.3 | -33.1 | 173.3 | -76.7 | -171.6 | 139.7 | 0 | 0 | 112.4 | Q636 Q638 A644 | Q636-E640 PolarHBondContact O-N 2.92Å; Q638-E640 PolarHBondContact O-N 3.29Å; E640-A644 VanDerWaalsContact O-CB 3.27Å; E640-A644 WeakPolarHBondContact O-CB 3.5Å; E640-A644 PolarHBondContact O-N 3.47Å; E640-A644 VanDerWaalsContact O-N 3.13Å |
| 641 | R | 92.1 | Very high | 93.2 | Very high | 187 Ų | 187 | 108.2 Ų | 108.2 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.5 | -46.6 | 175.4 | -67.9 | 169.8 | -179.1 | -161.3 | -0.1 | 111.7 | L637 Q638 K639 E643 A644 E645 | L637-R641 WeakPolarHBondContact O-CD 3.42Å; L637-R641 VanDerWaalsContact O-CG 3.32Å; L637-R641 WeakPolarHBondContact O-CG 3.28Å; Q638-R641 WeakPolarHBondContact O-CA 3.45Å; Q638-R641 WeakPolarHBondContact O-CB 3.2Å; Q638-R641 PolarHBondContact O-N 2.93Å; K639-R641 PolarHBondContact O-N 2.89Å; R641-E643 VanDerWaalsContact C-N 3.33Å; R641-E643 PolarHBondContact O-N 2.9Å; R641-A644 PolarHBondContact O-N 3.44Å; R641-E645 WeakPolarHBondContact O-CB 3.41Å; R641-E645 PolarHBondContact O-N 2.93Å |
| 642 | E | 89.8 | Confident | 93.1 | Very high | 136 Ų | 136 | 108.3 Ų | 108.3 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 177.7 | -171.8 | -178.1 | 177.4 | 0 | 0 | 111.3 | Q638 K639 E645 A646 | Q638-E642 PolarHBondContact O-N 2.94Å; K639-E642 PolarHBondContact O-N 3Å; E642-E645 PolarHBondContact O-N 3.21Å; E642-A646 WeakPolarHBondContact O-CB 3.47Å; E642-A646 PolarHBondContact O-N 3.45Å |
| 643 | E | 92.3 | Very high | 92.9 | Very high | 127 Ų | 127 | 109.6 Ų | 109.6 | 59% | 0.593 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 175.3 | -170.2 | 176.5 | 139.8 | 0 | 0 | 111.7 | K639 R641 K647 | K639-E643 VanDerWaalsContact O-CB 3.23Å; K639-E643 WeakPolarHBondContact O-CB 3.3Å; K639-E643 PolarHBondContact O-N 3.48Å; R641-E643 VanDerWaalsContact C-N 3.33Å; R641-E643 PolarHBondContact O-N 2.9Å; E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.12Å |
| 644 | A | 90.8 | Very high | 92.9 | Very high | 61 Ų | 61 | 109.9 Ų | 109.9 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E640 R641 A648 | E640-A644 VanDerWaalsContact O-CB 3.27Å; E640-A644 WeakPolarHBondContact O-CB 3.5Å; E640-A644 PolarHBondContact O-N 3.47Å; E640-A644 VanDerWaalsContact O-N 3.13Å; R641-A644 PolarHBondContact O-N 3.44Å; A644-A648 WeakPolarHBondContact O-CB 3.39Å; A644-A648 PolarHBondContact O-N 3.1Å |
| 645 | E | 91 | Very high | 93.2 | Very high | 131 Ų | 131 | 109.4 Ų | 109.4 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.9 | -48 | 177.4 | -175.3 | 166.2 | -174.2 | 0 | 0 | 111.5 | R641 E642 K647 A648 L649 | R641-E645 WeakPolarHBondContact O-CB 3.41Å; R641-E645 PolarHBondContact O-N 2.93Å; E642-E645 PolarHBondContact O-N 3.21Å; E645-K647 VanDerWaalsContact C-N 3.28Å; E645-K647 PolarHBondContact O-N 3.09Å; E645-A648 PolarHBondContact O-N 2.96Å; E645-A648 VanDerWaalsContact O-N 3.13Å; E645-L649 HydrophobicContact CG-CD1 4.44Å; E645-L649 WeakPolarHBondContact O-CG 3.26Å; E645-L649 PolarHBondContact O-N 3.47Å |
| 646 | A | 92.3 | Very high | 93.3 | Very high | 56 Ų | 56 | 115.9 Ų | 115.9 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.5 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E642 L649 E650 | E642-A646 WeakPolarHBondContact O-CB 3.47Å; E642-A646 PolarHBondContact O-N 3.45Å; A646-L649 PolarHBondContact O-N 2.92Å; A646-E650 PolarHBondContact O-N 3.08Å |
| 647 | K | 95.1 | Very high | 93.3 | Very high | 143 Ų | 143 | 115.6 Ų | 115.6 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.5 | -38.9 | 175.1 | -174 | 172.4 | -175.7 | 172.5 | 0 | 112.9 | E643 E645 L649 E650 E651 | E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.12Å; E645-K647 VanDerWaalsContact C-N 3.28Å; E645-K647 PolarHBondContact O-N 3.09Å; K647-L649 VanDerWaalsContact C-N 3.31Å; K647-E650 PolarHBondContact O-N 3.31Å; K647-E651 WeakPolarHBondContact O-CB 3.2Å; K647-E651 PolarHBondContact O-N 3.36Å |
| 648 | A | 92.7 | Very high | 93.3 | Very high | 57 Ų | 57 | 117.7 Ų | 117.7 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.3 | -34 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A644 E645 A652 | A644-A648 WeakPolarHBondContact O-CB 3.39Å; A644-A648 PolarHBondContact O-N 3.1Å; E645-A648 PolarHBondContact O-N 2.96Å; E645-A648 VanDerWaalsContact O-N 3.13Å; A648-A652 WeakPolarHBondContact O-CB 3.35Å; A648-A652 PolarHBondContact O-N 3.15Å |
| 649 | L | 93.7 | Very high | 93.5 | Very high | 114 Ų | 114 | 118.7 Ų | 118.7 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.3 | -41.9 | 172.8 | -68.9 | 171.5 | 0 | 0 | 0 | 112 | E645 A646 K647 A652 E653 | E645-L649 HydrophobicContact CG-CD1 4.44Å; E645-L649 WeakPolarHBondContact O-CG 3.26Å; E645-L649 PolarHBondContact O-N 3.47Å; A646-L649 PolarHBondContact O-N 2.92Å; K647-L649 VanDerWaalsContact C-N 3.31Å; L649-A652 PolarHBondContact O-N 2.92Å; L649-E653 PolarHBondContact O-N 2.72Å |
| 650 | E | 91.5 | Very high | 93.4 | Very high | 94 Ų | 94 | 115.2 Ų | 115.2 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.6 | -43.5 | 174.3 | -160.5 | -148.7 | 141.5 | 0 | 0 | 111.3 | A646 K647 E653 R654 | A646-E650 PolarHBondContact O-N 3.08Å; K647-E650 PolarHBondContact O-N 3.31Å; E650-E653 PolarHBondContact O-N 3.27Å; E650-R654 WeakPolarHBondContact O-CG 3.48Å; E650-R654 PolarHBondContact O-N 3.47Å; E650-R654 IonicContact OE1-CZ 2.63Å; E650-R654 IonicContact OE1-NE 3.97Å; E650-R654 PolarHBondContact OE1-NE 3.17Å; E650-R654 IonicContact OE1-NH2 2.71Å; E650-R654 PolarHBondContact OE1-NH2 3.3Å |
| 651 | E | 92.4 | Very high | 93.5 | Very high | 133 Ų | 133 | 116.8 Ų | 116.8 | 62% | 0.621 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -43.3 | 176 | -170.6 | 171.6 | 173.5 | 0 | 0 | 111.5 | K647 E653 R654 V655 | K647-E651 WeakPolarHBondContact O-CB 3.2Å; K647-E651 PolarHBondContact O-N 3.36Å; E651-E653 VanDerWaalsContact C-N 3.32Å; E651-E653 PolarHBondContact O-N 3.03Å; E651-R654 PolarHBondContact O-N 2.93Å; E651-V655 WeakPolarHBondContact O-CG2 3.37Å; E651-V655 PolarHBondContact O-N 3.39Å |
| 652 | A | 92.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 112.4 Ų | 112.4 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | A648 L649 R656 | A648-A652 WeakPolarHBondContact O-CB 3.35Å; A648-A652 PolarHBondContact O-N 3.15Å; L649-A652 PolarHBondContact O-N 2.92Å; A652-R656 PolarHBondContact O-N 2.72Å |
| 653 | E | 93.7 | Very high | 94 | Very high | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.2 | -45.3 | 173.8 | -157.4 | -162.3 | 144.3 | 0 | 0 | 111.4 | L649 E650 E651 V655 R656 Q657 | L649-E653 PolarHBondContact O-N 2.72Å; E650-E653 PolarHBondContact O-N 3.27Å; E651-E653 VanDerWaalsContact C-N 3.32Å; E651-E653 PolarHBondContact O-N 3.03Å; E653-V655 VanDerWaalsContact C-N 3.27Å; E653-V655 PolarHBondContact O-N 2.87Å; E653-R656 WeakPolarHBondContact O-CA 3.17Å; E653-R656 WeakPolarHBondContact O-CB 3.43Å; E653-R656 PolarHBondContact O-N 3.28Å; E653-Q657 WeakPolarHBondContact O-CG 3.34Å; E653-Q657 PolarHBondContact O-N 3.44Å; E653-Q657 PolarHBondContact OE1-NE2 2.72Å |
| 654 | R | 96.6 | Very high | 94.1 | Very high | 158 Ų | 158 | 110.5 Ų | 110.5 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.4 | -41.5 | 174.5 | -73.2 | -175.9 | -173.5 | -148.7 | 8 | 111.8 | E650 E651 R656 Q657 E658 | E650-R654 WeakPolarHBondContact O-CG 3.48Å; E650-R654 PolarHBondContact O-N 3.47Å; E650-R654 IonicContact OE1-CZ 2.63Å; E650-R654 IonicContact OE1-NE 3.97Å; E650-R654 PolarHBondContact OE1-NE 3.17Å; E650-R654 IonicContact OE1-NH2 2.71Å; E650-R654 PolarHBondContact OE1-NH2 3.3Å; E651-R654 PolarHBondContact O-N 2.93Å; R654-R656 VanDerWaalsContact C-N 3.34Å; R654-R656 PolarHBondContact O-N 3.42Å; R654-Q657 PolarHBondContact O-N 3.42Å; R654-E658 WeakPolarHBondContact O-CB 3.41Å; R654-E658 PolarHBondContact O-N 2.96Å |
| 655 | V | 96.1 | Very high | 94.4 | Very high | 89 Ų | 89 | 112.9 Ų | 112.9 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 112 | E651 E653 R659 | E651-V655 WeakPolarHBondContact O-CG2 3.37Å; E651-V655 PolarHBondContact O-N 3.39Å; E653-V655 VanDerWaalsContact C-N 3.27Å; E653-V655 PolarHBondContact O-N 2.87Å; V655-R659 WeakPolarHBondContact O-CB 3.41Å; V655-R659 PolarHBondContact O-N 2.79Å |
| 656 | R | 95.4 | Very high | 94.6 | Very high | 185 Ų | 185 | 109.6 Ų | 109.6 | 70% | 0.698 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -50.1 | 170.6 | -77.6 | -177.4 | 168.5 | -165.8 | -1.4 | 111.9 | A652 E653 R654 E658 R659 D660 | A652-R656 PolarHBondContact O-N 2.72Å; E653-R656 WeakPolarHBondContact O-CA 3.17Å; E653-R656 WeakPolarHBondContact O-CB 3.43Å; E653-R656 PolarHBondContact O-N 3.28Å; R654-R656 VanDerWaalsContact C-N 3.34Å; R654-R656 PolarHBondContact O-N 3.42Å; R656-E658 VanDerWaalsContact C-N 3.29Å; R656-E658 PolarHBondContact O-N 2.9Å; R656-R659 WeakPolarHBondContact O-CB 3.39Å; R656-R659 PolarHBondContact O-N 3.44Å; R656-D660 PolarHBondContact O-N 2.96Å |
| 657 | Q | 95.4 | Very high | 94.8 | Very high | 115 Ų | 115 | 113.2 Ų | 113.2 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 179.7 | -66.7 | -178.4 | 13.5 | 0 | 0 | 111.5 | E653 R654 R661 | E653-Q657 WeakPolarHBondContact O-CG 3.34Å; E653-Q657 PolarHBondContact O-N 3.44Å; E653-Q657 PolarHBondContact OE1-NE2 2.72Å; R654-Q657 PolarHBondContact O-N 3.42Å; Q657-R661 VanDerWaalsContact O-CB 3.27Å; Q657-R661 WeakPolarHBondContact O-CB 3.46Å; Q657-R661 PolarHBondContact O-N 2.92Å |
| 658 | E | 95.2 | Very high | 94.8 | Very high | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.3 | -46.4 | 174.9 | -178.2 | 168.2 | -143.8 | 0 | 0 | 111.9 | R654 R656 D660 R661 I662 | R654-E658 WeakPolarHBondContact O-CB 3.41Å; R654-E658 PolarHBondContact O-N 2.96Å; R656-E658 VanDerWaalsContact C-N 3.29Å; R656-E658 PolarHBondContact O-N 2.9Å; E658-D660 VanDerWaalsContact C-N 3.27Å; E658-D660 PolarHBondContact O-N 3.23Å; E658-R661 PolarHBondContact O-N 2.86Å; E658-I662 HydrophobicContact CG-CD1 3.89Å; E658-I662 HydrophobicContact CG-CG1 4.47Å; E658-I662 VanDerWaalsContact O-CG1 3.3Å; E658-I662 WeakPolarHBondContact O-CG1 3.34Å; E658-I662 PolarHBondContact O-N 3.2Å |
| 659 | R | 94.6 | Very high | 94.9 | Very high | 150 Ų | 150 | 114 Ų | 114 | 57% | 0.566 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.8 | -43.8 | 175.7 | -169.1 | -156.3 | 76.3 | 158.1 | 0.9 | 111.6 | V655 R656 I662 M663 | V655-R659 WeakPolarHBondContact O-CB 3.41Å; V655-R659 PolarHBondContact O-N 2.79Å; R656-R659 WeakPolarHBondContact O-CB 3.39Å; R656-R659 PolarHBondContact O-N 3.44Å; R659-I662 PolarHBondContact O-N 3.45Å; R659-M663 PolarHBondContact O-N 3.01Å |
| 660 | D | 94.4 | Very high | 95 | Very high | 59 Ų | 59 | 116.8 Ų | 116.8 | 32% | 0.316 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -78.3 | -29.2 | -176.7 | -65.9 | -13.4 | 0 | 0 | 0 | 111.7 | R656 E658 M663 Q664 | R656-D660 PolarHBondContact O-N 2.96Å; E658-D660 VanDerWaalsContact C-N 3.27Å; E658-D660 PolarHBondContact O-N 3.23Å; D660-M663 WeakPolarHBondContact O-CB 3.41Å; D660-M663 PolarHBondContact O-N 3.27Å; D660-Q664 WeakPolarHBondContact O-CG 3.44Å; D660-Q664 PolarHBondContact O-N 2.78Å |
| 661 | R | 96.6 | Very high | 95.1 | Very high | 170 Ų | 170 | 117.3 Ų | 117.3 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 166.6 | -171.4 | 179.6 | -171.3 | 179.3 | 3.9 | 112 | Q657 E658 M663 Q664 Q665 | Q657-R661 VanDerWaalsContact O-CB 3.27Å; Q657-R661 WeakPolarHBondContact O-CB 3.46Å; Q657-R661 PolarHBondContact O-N 2.92Å; E658-R661 PolarHBondContact O-N 2.86Å; R661-M663 VanDerWaalsContact C-N 3.32Å; R661-Q664 PolarHBondContact O-N 3.27Å; R661-Q665 WeakPolarHBondContact O-CB 3.24Å; R661-Q665 WeakPolarHBondContact O-CG 3.41Å; R661-Q665 PolarHBondContact O-N 2.88Å |
| 662 | I | 95.9 | Very high | 95.2 | Very high | 94 Ų | 94 | 115.9 Ų | 115.9 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 173.4 | -69.7 | 165.5 | 0 | 0 | 0 | 110.4 | E658 R659 Q665 N666 | E658-I662 HydrophobicContact CG-CD1 3.89Å; E658-I662 HydrophobicContact CG-CG1 4.47Å; E658-I662 VanDerWaalsContact O-CG1 3.3Å; E658-I662 WeakPolarHBondContact O-CG1 3.34Å; E658-I662 PolarHBondContact O-N 3.2Å; R659-I662 PolarHBondContact O-N 3.45Å; I662-Q665 PolarHBondContact O-N 3.37Å; I662-N666 PolarHBondContact O-N 3.38Å |
| 663 | M | 95.1 | Very high | 95.3 | Very high | 108 Ų | 108 | 121 Ų | 121 | 53% | 0.532 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 175.4 | -167.3 | -173.6 | -55.3 | 0 | 0 | 111.9 | R659 D660 R661 N666 Q667 | R659-M663 PolarHBondContact O-N 3.01Å; D660-M663 WeakPolarHBondContact O-CB 3.41Å; D660-M663 PolarHBondContact O-N 3.27Å; R661-M663 VanDerWaalsContact C-N 3.32Å; M663-N666 PolarHBondContact O-N 2.68Å; M663-Q667 WeakPolarHBondContact O-CB 3.34Å; M663-Q667 PolarHBondContact O-N 3.38Å |
| 664 | Q | 96.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 121.6 Ų | 121.6 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.6 | -72 | 176.8 | 25.9 | 0 | 0 | 111.9 | D660 R661 Q667 Q668 | D660-Q664 WeakPolarHBondContact O-CG 3.44Å; D660-Q664 PolarHBondContact O-N 2.78Å; R661-Q664 PolarHBondContact O-N 3.27Å; Q664-Q667 PolarHBondContact O-N 2.93Å; Q664-Q668 WeakPolarHBondContact O-CG 3.16Å; Q664-Q668 PolarHBondContact O-N 3.38Å |
| 665 | Q | 95.9 | Very high | 95.4 | Very high | 110 Ų | 110 | 120.8 Ų | 120.8 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.6 | -77.4 | 179.9 | -22.5 | 0 | 0 | 112 | R661 I662 Q667 Q668 E669 | R661-Q665 WeakPolarHBondContact O-CB 3.24Å; R661-Q665 WeakPolarHBondContact O-CG 3.41Å; R661-Q665 PolarHBondContact O-N 2.88Å; I662-Q665 PolarHBondContact O-N 3.37Å; Q665-Q667 VanDerWaalsContact C-N 3.32Å; Q665-Q667 PolarHBondContact O-N 3.04Å; Q665-Q668 PolarHBondContact O-N 2.78Å; Q665-E669 WeakPolarHBondContact O-CB 3.41Å; Q665-E669 PolarHBondContact O-N 2.95Å |
| 666 | N | 95.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 124.3 Ų | 124.3 | 34% | 0.337 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.5 | -30.5 | 175.8 | -166.7 | -109 | 0 | 0 | 0 | 112.4 | I662 M663 E669 R670 | I662-N666 PolarHBondContact O-N 3.38Å; M663-N666 PolarHBondContact O-N 2.68Å; N666-E669 PolarHBondContact ND2-OE2 2.86Å; N666-E669 VanDerWaalsContact ND2-OE2 3.09Å; N666-R670 WeakPolarHBondContact O-CB 3.38Å; N666-R670 WeakPolarHBondContact O-CD 3.39Å; N666-R670 WeakPolarHBondContact O-CG 3.46Å; N666-R670 PolarHBondContact O-N 3.41Å; N666-R670 PolarHBondContact OD1-NE 3.15Å; N666-R670 PolarHBondContact OD1-NH2 3.3Å |
| 667 | Q | 95.1 | Very high | 95.3 | Very high | 131 Ų | 131 | 119.3 Ų | 119.3 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.8 | -41.5 | 172.3 | -167.9 | -175.3 | 73.2 | 0 | 0 | 111.8 | M663 Q664 Q665 R670 M671 | M663-Q667 WeakPolarHBondContact O-CB 3.34Å; M663-Q667 PolarHBondContact O-N 3.38Å; Q664-Q667 PolarHBondContact O-N 2.93Å; Q665-Q667 VanDerWaalsContact C-N 3.32Å; Q665-Q667 PolarHBondContact O-N 3.04Å; Q667-R670 PolarHBondContact O-N 2.77Å; Q667-M671 WeakPolarHBondContact O-CG 3.38Å; Q667-M671 PolarHBondContact O-N 3.23Å |
| 668 | Q | 94.9 | Very high | 95.2 | Very high | 116 Ų | 116 | 117.2 Ų | 117.2 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 172.9 | -72 | 174.3 | 3.7 | 0 | 0 | 111.2 | Q664 Q665 R670 M671 E672 | Q664-Q668 WeakPolarHBondContact O-CG 3.16Å; Q664-Q668 PolarHBondContact O-N 3.38Å; Q665-Q668 PolarHBondContact O-N 2.78Å; Q668-R670 VanDerWaalsContact C-N 3.33Å; Q668-R670 PolarHBondContact O-N 3.36Å; Q668-M671 CarbonylContact O-C 3.6Å; Q668-M671 PolarHBondContact O-N 2.89Å; Q668-E672 PolarHBondContact O-N 3.22Å |
| 669 | E | 94.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 115.5 Ų | 115.5 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 174.4 | -166.9 | -148 | 149.4 | 0 | 0 | 111.4 | Q665 N666 M671 E672 R673 | Q665-E669 WeakPolarHBondContact O-CB 3.41Å; Q665-E669 PolarHBondContact O-N 2.95Å; N666-E669 PolarHBondContact ND2-OE2 2.86Å; N666-E669 VanDerWaalsContact ND2-OE2 3.09Å; E669-M671 VanDerWaalsContact C-N 3.35Å; E669-M671 PolarHBondContact O-N 3.23Å; E669-E672 PolarHBondContact O-N 2.76Å; E669-R673 WeakPolarHBondContact O-CB 3.36Å; E669-R673 PolarHBondContact O-N 3.23Å |
| 670 | R | 95.8 | Very high | 94.9 | Very high | 173 Ų | 173 | 112.1 Ų | 112.1 | 65% | 0.653 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 172.7 | -75.8 | 166.3 | -172.4 | -113.7 | 2.3 | 112 | N666 Q667 Q668 K674 | N666-R670 WeakPolarHBondContact O-CB 3.38Å; N666-R670 WeakPolarHBondContact O-CD 3.39Å; N666-R670 WeakPolarHBondContact O-CG 3.46Å; N666-R670 PolarHBondContact O-N 3.41Å; N666-R670 PolarHBondContact OD1-NE 3.15Å; N666-R670 PolarHBondContact OD1-NH2 3.3Å; Q667-R670 PolarHBondContact O-N 2.77Å; Q668-R670 VanDerWaalsContact C-N 3.33Å; Q668-R670 PolarHBondContact O-N 3.36Å; R670-K674 VanDerWaalsContact O-CB 3.28Å; R670-K674 WeakPolarHBondContact O-CB 3.46Å; R670-K674 PolarHBondContact O-N 3.32Å |
| 671 | M | 94.4 | Very high | 94.5 | Very high | 105 Ų | 105 | 114.6 Ų | 114.6 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71 | -36.8 | 177.8 | -72.4 | -64.2 | -75.3 | 0 | 0 | 112.6 | Q667 Q668 E669 K675 | Q667-M671 WeakPolarHBondContact O-CG 3.38Å; Q667-M671 PolarHBondContact O-N 3.23Å; Q668-M671 CarbonylContact O-C 3.6Å; Q668-M671 PolarHBondContact O-N 2.89Å; E669-M671 VanDerWaalsContact C-N 3.35Å; E669-M671 PolarHBondContact O-N 3.23Å; M671-K675 WeakPolarHBondContact O-CB 3.48Å; M671-K675 VanDerWaalsContact O-CG 3.28Å; M671-K675 WeakPolarHBondContact O-CG 3.27Å; M671-K675 PolarHBondContact O-N 3.45Å |
| 672 | E | 94.3 | Very high | 94.1 | Very high | 103 Ų | 103 | 112.2 Ų | 112.2 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 171.1 | -80.2 | -163.4 | -160.4 | 0 | 0 | 112.3 | Q668 E669 K674 K675 R676 | Q668-E672 PolarHBondContact O-N 3.22Å; E669-E672 PolarHBondContact O-N 2.76Å; E672-K674 VanDerWaalsContact C-N 3.3Å; E672-K674 PolarHBondContact O-N 2.94Å; E672-K675 CarbonylContact O-C 3.58Å; E672-K675 PolarHBondContact O-N 2.9Å; E672-R676 WeakPolarHBondContact O-CG 3.49Å; E672-R676 PolarHBondContact O-N 2.77Å; E672-R676 IonicContact OE2-NH2 3.34Å; E672-R676 PolarHBondContact OE2-NH2 2.77Å |
| 673 | R | 95.1 | Very high | 93.6 | Very high | 163 Ų | 163 | 115.6 Ų | 115.6 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 175.8 | -176.5 | 172.6 | 177.8 | 167.5 | -1.5 | 110.6 | E669 R676 I677 | E669-R673 WeakPolarHBondContact O-CB 3.36Å; E669-R673 PolarHBondContact O-N 3.23Å; R673-R676 PolarHBondContact O-N 2.92Å; R673-I677 HydrophobicContact CG-CD1 4.05Å; R673-I677 WeakPolarHBondContact O-CB 3.43Å; R673-I677 WeakPolarHBondContact O-CD1 3.43Å; R673-I677 VanDerWaalsContact O-CG1 3.23Å; R673-I677 WeakPolarHBondContact O-CG1 3.43Å; R673-I677 PolarHBondContact O-N 2.8Å |
| 674 | K | 96.3 | Very high | 92.9 | Very high | 121 Ų | 121 | 115.3 Ų | 115.3 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -52.8 | 169.5 | -176.7 | 178.3 | 176.2 | -176.4 | 0 | 110.8 | R670 E672 R676 I677 D678 | R670-K674 VanDerWaalsContact O-CB 3.28Å; R670-K674 WeakPolarHBondContact O-CB 3.46Å; R670-K674 PolarHBondContact O-N 3.32Å; E672-K674 VanDerWaalsContact C-N 3.3Å; E672-K674 PolarHBondContact O-N 2.94Å; K674-R676 VanDerWaalsContact C-N 3.3Å; K674-R676 PolarHBondContact O-N 3.3Å; K674-I677 CarbonylContact O-C 3.54Å; K674-I677 PolarHBondContact O-N 3.49Å; K674-D678 WeakPolarHBondContact CE-OD2 3.26Å; K674-D678 WeakPolarHBondContact CG-OD2 3.29Å; K674-D678 WeakPolarHBondContact O-CB 3.5Å; K674-D678 VanDerWaalsContact O-CG 3.27Å; K674-D678 PolarHBondContact O-N 3.1Å |
| 675 | K | 96.6 | Very high | 92.1 | Very high | 141 Ų | 141 | 120.1 Ų | 120.1 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -55.7 | -39.4 | 176.3 | -76.1 | 172.3 | 179.4 | 180 | 0 | 113 | M671 E672 E679 | M671-K675 WeakPolarHBondContact O-CB 3.48Å; M671-K675 VanDerWaalsContact O-CG 3.28Å; M671-K675 WeakPolarHBondContact O-CG 3.27Å; M671-K675 PolarHBondContact O-N 3.45Å; E672-K675 CarbonylContact O-C 3.58Å; E672-K675 PolarHBondContact O-N 2.9Å; K675-E679 WeakPolarHBondContact O-CB 3.36Å; K675-E679 PolarHBondContact O-N 3.36Å |
| 676 | R | 95.2 | Very high | 90.3 | Very high | 162 Ų | 162 | 122 Ų | 122 | 61% | 0.611 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.8 | -38.4 | 174.9 | -70.4 | -175.2 | -156.9 | -176.6 | 10.4 | 112.1 | E672 R673 K674 I680 | E672-R676 WeakPolarHBondContact O-CG 3.49Å; E672-R676 PolarHBondContact O-N 2.77Å; E672-R676 IonicContact OE2-NH2 3.34Å; E672-R676 PolarHBondContact OE2-NH2 2.77Å; R673-R676 PolarHBondContact O-N 2.92Å; K674-R676 VanDerWaalsContact C-N 3.3Å; K674-R676 PolarHBondContact O-N 3.3Å; R676-I680 VanDerWaalsContact O-CB 3.31Å; R676-I680 WeakPolarHBondContact O-CB 3.28Å; R676-I680 WeakPolarHBondContact O-CD1 3.39Å; R676-I680 WeakPolarHBondContact O-CG1 3.32Å; R676-I680 PolarHBondContact O-N 3.3Å |
| 677 | I | 94.2 | Very high | 88.4 | Confident | 80 Ų | 80 | 122.4 Ų | 122.4 | 41% | 0.41 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.9 | -47.8 | 173.7 | -71.4 | 164.2 | 0 | 0 | 0 | 109.9 | R673 K674 E679 I680 M681 | R673-I677 HydrophobicContact CG-CD1 4.05Å; R673-I677 WeakPolarHBondContact O-CB 3.43Å; R673-I677 WeakPolarHBondContact O-CD1 3.43Å; R673-I677 VanDerWaalsContact O-CG1 3.23Å; R673-I677 WeakPolarHBondContact O-CG1 3.43Å; R673-I677 PolarHBondContact O-N 2.8Å; K674-I677 CarbonylContact O-C 3.54Å; K674-I677 PolarHBondContact O-N 3.49Å; I677-E679 VanDerWaalsContact C-N 3.31Å; I677-E679 PolarHBondContact O-N 2.88Å; I677-I680 CarbonylContact O-C 3.58Å; I677-I680 PolarHBondContact O-N 3.05Å; I677-I680 VanDerWaalsContact O-N 3.16Å; I677-M681 HydrophobicContact CG2-CG 4.4Å; I677-M681 HydrophobicContact CG2-SD 3.8Å; I677-M681 WeakPolarHBondContact O-CB 3.44Å; I677-M681 VanDerWaalsContact O-CG 3.31Å; I677-M681 WeakPolarHBondContact O-CG 3.31Å; I677-M681 PolarHBondContact O-N 3.42Å |
| 678 | D | 92.8 | Very high | 86.5 | Confident | 72 Ų | 72 | 123.5 Ų | 123.5 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.3 | -38.5 | 176.9 | -65.3 | -19.2 | 0 | 0 | 0 | 111.2 | K674 M681 R682 | K674-D678 WeakPolarHBondContact CE-OD2 3.26Å; K674-D678 WeakPolarHBondContact CG-OD2 3.29Å; K674-D678 WeakPolarHBondContact O-CB 3.5Å; K674-D678 VanDerWaalsContact O-CG 3.27Å; K674-D678 PolarHBondContact O-N 3.1Å; D678-M681 PolarHBondContact O-N 3.41Å; D678-R682 VanDerWaalsContact O-CB 3.29Å; D678-R682 WeakPolarHBondContact O-CB 3.45Å; D678-R682 PolarHBondContact O-N 2.85Å |
| 679 | E | 92.4 | Very high | 84.6 | Confident | 87 Ų | 87 | 126 Ų | 126 | 41% | 0.407 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -48.6 | 171.3 | -177.3 | 62 | -120.7 | 0 | 0 | 111.9 | K675 I677 M681 R682 R683 | K675-E679 WeakPolarHBondContact O-CB 3.36Å; K675-E679 PolarHBondContact O-N 3.36Å; I677-E679 VanDerWaalsContact C-N 3.31Å; I677-E679 PolarHBondContact O-N 2.88Å; E679-M681 VanDerWaalsContact C-N 3.28Å; E679-M681 PolarHBondContact O-N 2.83Å; E679-R682 PolarHBondContact O-N 3.08Å; E679-R682 VanDerWaalsContact O-N 3.17Å; E679-R682 IonicContact OE1-CZ 3.74Å; E679-R682 IonicContact OE1-NH1 2.78Å; E679-R682 PolarHBondContact OE1-NH1 2.89Å; E679-R682 IonicContact OE1-NH2 3.94Å; E679-R682 IonicContact OE2-CZ 3.2Å; E679-R682 IonicContact OE2-NH1 2.8Å; E679-R682 PolarHBondContact OE2-NH1 3.13Å; E679-R682 IonicContact OE2-NH2 2.7Å; E679-R682 PolarHBondContact OE2-NH2 2.91Å; E679-R683 WeakPolarHBondContact O-CG 3.37Å; E679-R683 PolarHBondContact O-N 3.14Å |
| 680 | I | 90.2 | Very high | 82.4 | Confident | 79 Ų | 79 | 127.6 Ų | 127.6 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.8 | -37.8 | 177.7 | -72.6 | 165.3 | 0 | 0 | 0 | 110.9 | R676 I677 R683 T684 | R676-I680 VanDerWaalsContact O-CB 3.31Å; R676-I680 WeakPolarHBondContact O-CB 3.28Å; R676-I680 WeakPolarHBondContact O-CD1 3.39Å; R676-I680 WeakPolarHBondContact O-CG1 3.32Å; R676-I680 PolarHBondContact O-N 3.3Å; I677-I680 CarbonylContact O-C 3.58Å; I677-I680 PolarHBondContact O-N 3.05Å; I677-I680 VanDerWaalsContact O-N 3.16Å; I680-R683 VanDerWaalsContact O-CG 3.25Å; I680-R683 WeakPolarHBondContact O-CG 3.38Å; I680-T684 WeakPolarHBondContact O-CG2 3.4Å; I680-T684 PolarHBondContact O-N 2.86Å; I680-T684 PolarHBondContact O-OG1 3.4Å |
| 681 | M | 86.7 | Confident | 80.1 | Confident | 111 Ų | 111 | 126.9 Ų | 126.9 | 55% | 0.547 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.6 | -36.4 | 174.4 | -71.8 | 176.1 | 65.1 | 0 | 0 | 112.2 | I677 D678 E679 T684 R685 | I677-M681 HydrophobicContact CG2-CG 4.4Å; I677-M681 HydrophobicContact CG2-SD 3.8Å; I677-M681 WeakPolarHBondContact O-CB 3.44Å; I677-M681 VanDerWaalsContact O-CG 3.31Å; I677-M681 WeakPolarHBondContact O-CG 3.31Å; I677-M681 PolarHBondContact O-N 3.42Å; D678-M681 PolarHBondContact O-N 3.41Å; E679-M681 VanDerWaalsContact C-N 3.28Å; E679-M681 PolarHBondContact O-N 2.83Å; M681-T684 PolarHBondContact O-OG1 3.48Å; M681-R685 WeakPolarHBondContact O-CB 3.38Å; M681-R685 PolarHBondContact O-N 3.48Å |
| 682 | R | 89.3 | Confident | 77.9 | Confident | 121 Ų | 121 | 127.7 Ų | 127.7 | 46% | 0.457 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68 | -43 | 177.6 | -154.9 | -167.3 | -32 | 99.9 | 4.1 | 111.3 | D678 E679 R685 K686 | D678-R682 VanDerWaalsContact O-CB 3.29Å; D678-R682 WeakPolarHBondContact O-CB 3.45Å; D678-R682 PolarHBondContact O-N 2.85Å; E679-R682 PolarHBondContact O-N 3.08Å; E679-R682 VanDerWaalsContact O-N 3.17Å; E679-R682 IonicContact OE1-CZ 3.74Å; E679-R682 IonicContact OE1-NH1 2.78Å; E679-R682 PolarHBondContact OE1-NH1 2.89Å; E679-R682 IonicContact OE1-NH2 3.94Å; E679-R682 IonicContact OE2-CZ 3.2Å; E679-R682 IonicContact OE2-NH1 2.8Å; E679-R682 PolarHBondContact OE2-NH1 3.13Å; E679-R682 IonicContact OE2-NH2 2.7Å; E679-R682 PolarHBondContact OE2-NH2 2.91Å; R682-R685 PolarHBondContact O-N 3.21Å; R682-K686 VanDerWaalsContact O-CB 3.27Å; R682-K686 WeakPolarHBondContact O-CB 3.39Å; R682-K686 PolarHBondContact O-N 3.14Å |
| 683 | R | 84.5 | Confident | 75.5 | Confident | 165 Ų | 165 | 132 Ų | 132 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.4 | -33.3 | 177.3 | 73.1 | -177.5 | -173.1 | 163.1 | 4.4 | 112.7 | E679 I680 | E679-R683 WeakPolarHBondContact O-CG 3.37Å; E679-R683 PolarHBondContact O-N 3.14Å; I680-R683 VanDerWaalsContact O-CG 3.25Å; I680-R683 WeakPolarHBondContact O-CG 3.38Å |
| 684 | T | 80.5 | Confident | 73.2 | Confident | 102 Ų | 102 | 134.7 Ų | 134.7 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.4 | -27.6 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 113 | I680 M681 | I680-T684 WeakPolarHBondContact O-CG2 3.4Å; I680-T684 PolarHBondContact O-N 2.86Å; I680-T684 PolarHBondContact O-OG1 3.4Å; M681-T684 PolarHBondContact O-OG1 3.48Å |
| 685 | R | 79.8 | Confident | 70.8 | Confident | 216 Ų | 216 | 135.6 Ų | 135.6 | 82% | 0.815 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -81.8 | -22.8 | 173.3 | -174.6 | 175.6 | -93.1 | -157.2 | -5.7 | 113.5 | M681 R682 G687 | M681-R685 WeakPolarHBondContact O-CB 3.38Å; M681-R685 PolarHBondContact O-N 3.48Å; R682-R685 PolarHBondContact O-N 3.21Å; R685-G687 VanDerWaalsContact C-N 3.28Å; R685-G687 PolarHBondContact O-N 3.44Å |
| 686 | K | 56.6 | Low | 68.4 | Low | 151 Ų | 151 | 135.9 Ų | 135.9 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -80.1 | 3.4 | 175.1 | -87.6 | -158.5 | 168.1 | -162.1 | 0 | 115.3 | R682 D688 | R682-K686 VanDerWaalsContact O-CB 3.27Å; R682-K686 WeakPolarHBondContact O-CB 3.39Å; R682-K686 PolarHBondContact O-N 3.14Å; K686-D688 PolarHBondContact O-N 2.89Å |
| 687 | G | 57.6 | Low | 66.1 | Low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -68.8 | -7.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R685 | R685-G687 VanDerWaalsContact C-N 3.28Å; R685-G687 PolarHBondContact O-N 3.44Å |
| 688 | D | 54.4 | Low | 63.7 | Low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -139 | 14.1 | -163.4 | -152.2 | 26.4 | 0 | 0 | 0 | 113.8 | K686 | K686-D688 PolarHBondContact O-N 2.89Š|
| 689 | Q | 55.1 | Low | 61.1 | Low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | trans | -144.2 | 79.4 | 177.2 | -72.8 | -165.7 | 5.8 | 0 | 0 | 113.1 | ||||
| 690 | T | 48.3 | Very low | 58.9 | Low | 134 Ų | 134 | 143.5 Ų | 143.5 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | trans | -137.5 | 39.6 | 161.4 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 691 | D | 48.8 | Very low | 56.4 | Low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -151.7 | 82.5 | 166.1 | -122 | -30.1 | 0 | 0 | 0 | 112.1 | ||||
| 692 | S | 47.5 | Very low | 54.1 | Low | 122 Ų | 122 | 149 Ų | 149 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | -159.3 | 119.4 | 160.8 | -82.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 693 | K | 43.8 | Very low | 51.6 | Low | 192 Ų | 192 | 150.3 Ų | 150.3 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -14.6 | 131.4 | 152 | -81.6 | 177.2 | 178.6 | -178.7 | 0 | 115.1 | ||||
| 694 | R | 47.3 | Very low | 49.2 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | 47.5 | 95.1 | 62.8 | -69.3 | -163 | -172 | -173.6 | 3.8 | 112.9 | |||||
| 695 | D | 45.2 | Very low | 47.2 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | 173.4 | 173.8 | 110.7 | -77.8 | -27.8 | 0 | 0 | 0 | 110.4 | |||||
| 696 | D | 45.9 | Very low | 45.5 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | 68.7 | 118.2 | 165.4 | -64.1 | -18.3 | 0 | 0 | 0 | 122.7 | ||||
| 697 | D | 46.3 | Very low | 44.5 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | 63.1 | 152 | 128.7 | -83.2 | 6.7 | 0 | 0 | 0 | 122.6 | |||||
| 698 | K | 44.4 | Very low | 43.8 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 67% | 0.665 | 78% | 0.777 | S | S | * | * | cis | -168.2 | 169.3 | -25.7 | -131.4 | -173.8 | -153.8 | 95.9 | 0 | 110 | ||||
| 699 | Y | 39.4 | Very low | 43.1 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 106.2 | 153 | -107.5 | -108.6 | 0 | 0 | 0 | 122 | ||||
| 700 | S | 44.7 | Very low | 42.5 | Very low | 84 Ų | 84 | 147 Ų | 147 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | 11.6 | 149.3 | 126.5 | -43.4 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 701 | Q | 38.9 | Very low | 42.2 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 70 | 159 | 147.5 | -97.5 | 159.1 | -69.4 | 0 | 0 | 117.3 | ||||
| 702 | E | 37.2 | Very low | 41.6 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | cis | -141.9 | -166.4 | 3 | -161.7 | 130.3 | -135.2 | 0 | 0 | 112.5 | ||||
| 703 | N | 37.5 | Very low | 40.9 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -84.5 | 167.9 | -174.7 | -49.6 | -79.2 | 0 | 0 | 0 | 114.1 | ||||
| 704 | G | 34.8 | Very low | 40.7 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 87.9 | 167.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 705 | D | 38.5 | Very low | 40.2 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | cis | -159.2 | 164 | -13.2 | -154.9 | -7 | 0 | 0 | 0 | 109.5 | ||||
| 706 | E | 42.2 | Very low | 40.2 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | 59.2 | 168.8 | 172 | -53.6 | -169.3 | -171.8 | 0 | 0 | 114.9 | ||||
| 707 | G | 37.1 | Very low | 39.9 | Very low | 69 Ų | 69 | 138.4 Ų | 138.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | cis | -169.3 | 162.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 708 | L | 41.7 | Very low | 39.5 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | trans | -44.5 | 146 | 175 | -57.6 | 159.9 | 0 | 0 | 0 | 114 | ||||
| 709 | D | 41.1 | Very low | 39.2 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | -148.1 | 152.4 | 117.2 | -152.6 | 4.5 | 0 | 0 | 0 | 112.6 | |||||
| 710 | E | 41.9 | Very low | 39.3 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | trans | -117.4 | 110.3 | -176.4 | 177.8 | -169.3 | 161.7 | 0 | 0 | 108.8 | ||||
| 711 | M | 41.9 | Very low | 39.3 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 89% | 0.892 | 75% | 0.75 | S | S | * | * | trans | -117.8 | 79.8 | 167.9 | -162.3 | 158.1 | -71.5 | 0 | 0 | 113 | ||||
| 712 | K | 36.4 | Very low | 39.4 | Very low | 144 Ų | 144 | 135 Ų | 135 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | trans | -61.8 | 146.4 | 158.2 | -167 | -164.7 | -169.5 | -156.2 | 0 | 110.6 | E714 | K712-E714 HydrophobicContact CD-CG 4.46Å; K712-E714 WeakPolarHBondContact CE-OE1 3.36Å; K712-E714 HydrophobicContact CG-CG 4.34Å; K712-E714 IonicContact NZ-OE1 3.71Å; K712-E714 PolarHBondContact NZ-OE1 3.07Å | ||
| 713 | G | 32.8 | Very low | 40 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 176 | 66.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 714 | E | 39.3 | Very low | 40.2 | Very low | 104 Ų | 104 | 134 Ų | 134 | 49% | 0.486 | 75% | 0.75 | S | S | . | * | 47.8 | 102.2 | 87.2 | -74.4 | -157.5 | -147.6 | 0 | 0 | 114.1 | K712 K716 | K712-E714 HydrophobicContact CD-CG 4.46Å; K712-E714 WeakPolarHBondContact CE-OE1 3.36Å; K712-E714 HydrophobicContact CG-CG 4.34Å; K712-E714 IonicContact NZ-OE1 3.71Å; K712-E714 PolarHBondContact NZ-OE1 3.07Å; E714-K716 IonicContact OE2-NZ 2.62Å; E714-K716 PolarHBondContact OE2-NZ 3.41Å | |||
| 715 | T | 36 | Very low | 40.6 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -122.4 | 132 | 136 | -49 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 716 | K | 47 | Very low | 40.6 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | trans | -92 | -170 | -179 | -77.1 | -165 | 177.2 | 74.7 | 0 | 111.2 | E714 | E714-K716 IonicContact OE2-NZ 2.62Å; E714-K716 PolarHBondContact OE2-NZ 3.41Å | ||
| 717 | D | 37.7 | Very low | 40.3 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 99.3 | 121.8 | 158.9 | -46.7 | -9.3 | 0 | 0 | 0 | 114 | ||||
| 718 | D | 39.2 | Very low | 40.5 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | cis | -163.2 | -176.2 | -20.6 | -147.1 | -25.2 | 0 | 0 | 0 | 108.9 | ||||
| 719 | I | 37.3 | Very low | 40.1 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | 72.5 | 105.4 | 168.8 | -61.5 | 163.9 | 0 | 0 | 0 | 114.1 | ||||
| 720 | S | 41.3 | Very low | 39.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | 70 | 137.4 | 57.9 | 83.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 721 | V | 44.5 | Very low | 39.3 | Very low | 114 Ų | 114 | 130 Ų | 130 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | cis | -173.5 | 167.5 | -4.2 | 65.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 722 | D | 42.9 | Very low | 39.1 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | cis | -102.4 | -170 | 5.7 | -48.1 | -75 | 0 | 0 | 0 | 111.5 | ||||
| 723 | D | 49 | Very low | 39 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 60% | 0.599 | 73% | 0.733 | S | S | * | * | cis | 72.7 | 153.4 | 19.2 | -80 | -56.7 | 0 | 0 | 0 | 117 | Q725 | D723-Q725 PolarHBondContact OD1-NE2 3.31Š| ||
| 724 | D | 40.7 | Very low | 38.8 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | cis | -113 | 166.4 | 16.1 | -96.2 | -54.9 | 0 | 0 | 0 | 116.5 | ||||
| 725 | Q | 43.4 | Very low | 38.5 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -143.5 | 158.9 | -170.2 | -64.5 | 171.5 | 89.5 | 0 | 0 | 110.3 | D723 | D723-Q725 PolarHBondContact OD1-NE2 3.31Š| ||
| 726 | D | 39 | Very low | 38.4 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | cis | -168.9 | -151.4 | -14.6 | 178.2 | 26.2 | 0 | 0 | 0 | 106.4 | ||||
| 727 | F | 35.8 | Very low | 37.6 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | 80.3 | 154.2 | 154.9 | -83.5 | -163.7 | 0 | 0 | 0 | 118.9 | ||||
| 728 | L | 41.8 | Very low | 37.2 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | cis | -147.9 | -169.6 | -0.6 | -114.2 | 165.1 | 0 | 0 | 0 | 107.2 | ||||
| 729 | S | 34.1 | Very low | 36.7 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -156.6 | 174.2 | 18.7 | -153.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 730 | A | 36.7 | Very low | 36.5 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -139.9 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 731 | G | 29.3 | Very low | 36.1 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 169.2 | 123.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 732 | D | 36 | Very low | 35.4 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | cis | 80.4 | 131.1 | 48.3 | -163.6 | 56.5 | 0 | 0 | 0 | 112.6 | ||||
| 733 | V | 35.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 125 Ų | 125 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | cis | -123.4 | 178.6 | 5.3 | -117.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 734 | G | 29.7 | Very low | 33.7 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | 145.5 | 171.1 | -2.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 735 | V | 31.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 74.6 | 113.6 | 158.3 | -174.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 736 | K | 34.9 | Very low | 33.8 | Very low | 181 Ų | 181 | 124.6 Ų | 124.6 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | 44.8 | 152.9 | 142.2 | -61.3 | -179.4 | -179.9 | -175.8 | 0 | 121.1 | ||||
| 737 | Q | 29.9 | Very low | 33.6 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | cis | -157.8 | 163 | 13.5 | -136.6 | 171.3 | -90.5 | 0 | 0 | 111.7 | ||||
| 738 | D | 29.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 123.5 Ų | 123.5 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 53.3 | 139.7 | 151.9 | -58.5 | -27.1 | 0 | 0 | 0 | 124.9 | ||||
| 739 | G | 29.2 | Very low | 33.4 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 88% | 0.876 | 76% | 0.759 | S | S | * | * | trans | 100.2 | 111.3 | 133.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 740 | G | 32.2 | Very low | 33.8 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -119.4 | 179.3 | -180 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 741 | L | 32 | Very low | 33.8 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | 82.9 | 124.3 | 164.1 | -53.1 | 176.8 | 0 | 0 | 0 | 120.3 | ||||
| 742 | N | 30.3 | Very low | 34 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | 62.7 | 108.9 | 145.6 | -62.1 | -12.1 | 0 | 0 | 0 | 122.8 | ||||
| 743 | G | 27.6 | Very low | 33.9 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | 102.7 | 116.7 | 102.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 744 | N | 28.7 | Very low | 33.7 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | 63.9 | 171.2 | 150.9 | -79.9 | 19.7 | 0 | 0 | 0 | 119.2 | ||||
| 745 | P | 55.4 | Low | 33.8 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | cis | -137.8 | 175.9 | -40.7 | 39.3 | -23 | 0 | 0 | 0 | 115.3 | ||||
| 746 | E | 30.7 | Very low | 35.3 | Very low | 170 Ų | 170 | 129.2 Ų | 129.2 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 61.7 | 164.3 | 142.7 | -75.9 | 170.8 | 132.5 | 0 | 0 | 124.4 | ||||
| 747 | T | 35.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 65.4 | 154.5 | 169.3 | 66.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 748 | E | 35.5 | Very low | 36.2 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -168.5 | 160.4 | -28 | -107.5 | 170.3 | 161.6 | 0 | 0 | 107 | ||||
| 749 | D | 36.5 | Very low | 36.7 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | 59.9 | 157.7 | 145.2 | -79.5 | 5.6 | 0 | 0 | 0 | 122.4 | ||||
| 750 | K | 43.2 | Very low | 37.1 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | cis | -174.1 | 165.1 | -26 | -120.6 | 179.6 | 170.2 | -154.2 | 0 | 110.8 | ||||
| 751 | E | 37.6 | Very low | 37.3 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | 60.2 | 167.4 | 146.1 | -72 | 171.2 | -161.5 | 0 | 0 | 120 | ||||
| 752 | N | 33.4 | Very low | 37.6 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | cis | -163.2 | 172.9 | -46.8 | -156.1 | -4.2 | 0 | 0 | 0 | 111.3 | ||||
| 753 | T | 32.8 | Very low | 37.9 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 61% | 0.613 | 73% | 0.73 | S | S | * | * | trans | 71.2 | 127.9 | 148.9 | 39.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 754 | N | 31 | Very low | 38 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | 87.2 | 138.8 | 133.9 | -62.4 | -16.6 | 0 | 0 | 0 | 124.2 | ||||
| 755 | G | 31.1 | Very low | 38.2 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -97 | -136.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 756 | P | 62.8 | Low | 38.8 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | cis | -148.4 | -155.1 | 17.9 | 36.6 | -10.5 | 0 | 0 | 0 | 116.1 | ||||
| 757 | T | 39.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 78.7 | 150.8 | 156.8 | 57.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 758 | A | 44.7 | Very low | 40.1 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | cis | -177.6 | 174.2 | -22.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 759 | D | 40.5 | Very low | 40 | Very low | 153 Ų | 153 | 120 Ų | 120 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | cis | -127.8 | -94.9 | -7.2 | -156.5 | -104.7 | 0 | 0 | 0 | 112.4 | ||||
| 760 | D | 37.2 | Very low | 39.8 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | cis | -163.4 | 160.3 | -9.4 | -171.6 | 21.9 | 0 | 0 | 0 | 112.2 | ||||
| 761 | T | 36.7 | Very low | 39.3 | Very low | 91 Ų | 91 | 123 Ų | 123 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | trans | 28.1 | 137.9 | 147.8 | -70.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 762 | Q | 39 | Very low | 39.2 | Very low | 172 Ų | 172 | 122.6 Ų | 122.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | 162 | 167.1 | -18.8 | -101.4 | 173.2 | 102.1 | 0 | 0 | 105.5 | ||||
| 763 | A | 36.5 | Very low | 39.1 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | cis | -169.7 | 165.7 | -24.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 764 | G | 29.6 | Very low | 39.3 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 175.8 | 125.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 765 | S | 33.8 | Very low | 39.2 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -166.4 | -165.1 | -172.3 | -129.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 766 | P | 66.3 | Low | 39.4 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | -142.4 | -162.1 | 13.3 | 36.7 | -11.6 | 0 | 0 | 0 | 116.2 | ||||
| 767 | V | 32.8 | Very low | 37.8 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 83.3 | 128.5 | 156.3 | 172.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 768 | P | 61.2 | Low | 37.3 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -107.5 | -144.4 | 5.7 | 19.4 | 6.2 | 0 | 0 | 0 | 111.8 | ||||
| 769 | T | 33.8 | Very low | 36.7 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | cis | -150.4 | -101.6 | 9.5 | -35.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 770 | S | 32.8 | Very low | 36.1 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -166.7 | 159.7 | -163.2 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 771 | R | 31.7 | Very low | 36 | Very low | 225 Ų | 225 | 128.6 Ų | 128.6 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | cis | -176.6 | 155.1 | -24.2 | -162.4 | -162.9 | 175.5 | -161.8 | -0.6 | 107.7 | ||||
| 772 | L | 35.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 69.6 | 156.4 | 177.6 | -84.2 | 86.2 | 0 | 0 | 0 | 117.4 | ||||
| 773 | V | 33.2 | Very low | 35.3 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | cis | -168.6 | 149.1 | -37.1 | 86 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 774 | E | 36 | Very low | 35.2 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | 68.9 | 136.1 | 145.9 | -156.2 | 155.6 | -133.3 | 0 | 0 | 123.9 | ||||
| 775 | G | 28.7 | Very low | 35.4 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | 88.7 | 159.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 776 | S | 34.8 | Very low | 35.4 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | cis | -170.1 | 155 | -25.3 | -116.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 777 | E | 30.7 | Very low | 33.7 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -0.5 | 170.2 | 150.1 | 81.5 | -147.7 | 100.2 | 0 | 0 | 122.5 | ||||
| 778 | F | 27.7 | Very low | 33.6 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | cis | -160 | -177.5 | -6.2 | -139.1 | -134.1 | 0 | 0 | 0 | 111.4 | ||||
| 779 | L | 32 | Very low | 32.2 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 63% | 0.634 | 73% | 0.728 | S | S | * | * | trans | -106.1 | 135.9 | 161.1 | -171.4 | 167.8 | 0 | 0 | 0 | 108.1 | E781 | L779-E781 HydrophobicContact CD2-CG 4.05Å; L779-E781 WeakPolarHBondContact CD2-OE2 3.46Å | ||
| 780 | N | 29.1 | Very low | 32.1 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -158.2 | 138.1 | 167.4 | -119.5 | 12.1 | 0 | 0 | 0 | 107.4 | ||||
| 781 | E | 33.8 | Very low | 32.1 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | cis | 62.8 | 133.2 | 30.4 | -58.5 | -179.1 | 101.6 | 0 | 0 | 112.5 | L779 | L779-E781 HydrophobicContact CD2-CG 4.05Å; L779-E781 WeakPolarHBondContact CD2-OE2 3.46Å | ||
| 782 | E | 32.3 | Very low | 32.2 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | cis | -149.2 | 157.2 | 1.4 | -137.7 | -170.1 | 158.1 | 0 | 0 | 112.5 | ||||
| 783 | D | 29.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | trans | 77.1 | 157.3 | 138.6 | -165.8 | 46.5 | 0 | 0 | 0 | 121.9 | ||||
| 784 | S | 34.5 | Very low | 32.3 | Very low | 83 Ų | 83 | 132 Ų | 132 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | trans | 84.6 | 130.8 | 150.8 | -93.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 785 | T | 32.2 | Very low | 32.2 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 52% | 0.515 | 74% | 0.735 | S | S | . | * | cis | -163.9 | 156.4 | -27.3 | 10.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 786 | K | 34 | Very low | 32.4 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | trans | 64.1 | 151 | 149.1 | -65.7 | 153.5 | -162.4 | 133.8 | 0 | 119.3 | ||||
| 787 | D | 32.1 | Very low | 32.5 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | 23.8 | 126.2 | 145.6 | -41.5 | -38.1 | 0 | 0 | 0 | 118.8 | ||||
| 788 | G | 28.9 | Very low | 32.6 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | cis | 146.3 | -164.5 | 14.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 789 | L | 33.4 | Very low | 33.3 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | trans | 60.5 | 101 | 166.1 | -153.6 | 76.2 | 0 | 0 | 0 | 119.6 | ||||
| 790 | V | 31.7 | Very low | 33.4 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | 5.8 | 119.2 | 138.9 | -163.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 791 | S | 32.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 174.3 | 145.1 | 120.5 | -80 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 792 | S | 34.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -69.6 | 136.5 | -178.9 | -43 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 793 | L | 35.9 | Very low | 33.7 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -156.7 | 116.7 | 141 | -161.3 | 56.3 | 0 | 0 | 0 | 115.6 | ||||
| 794 | N | 32.9 | Very low | 34 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 2 | 115.7 | 149 | 172.7 | 51.3 | 0 | 0 | 0 | 119.5 | ||||
| 795 | G | 34 | Very low | 34.2 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -166 | 86.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 796 | K | 33.6 | Very low | 34.7 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -64.5 | 134.9 | -172.1 | -58 | 160.7 | -176 | 168.4 | 0 | 115.2 | ||||
| 797 | S | 37.1 | Very low | 34.6 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -148.7 | 101.8 | 148.4 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 798 | N | 32.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -85.8 | 121.3 | 171.7 | -89.2 | 14.4 | 0 | 0 | 0 | 110 | ||||
| 799 | Q | 42 | Very low | 35 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -122.1 | 115.4 | 151 | -72.4 | -172.2 | -7.3 | 0 | 0 | 108.2 | ||||
| 800 | W | 35.6 | Very low | 35.2 | Very low | 244 Ų | 244 | 142 Ų | 142 | 92% | 0.924 | 77% | 0.77 | S | S | * | * | trans | -123.4 | 112.7 | 168.5 | -92.5 | 39.1 | 0 | 0 | 0 | 106.7 | ||||
| 801 | S | 37 | Very low | 35.2 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -92.9 | 104.3 | 159.5 | 47.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 802 | F | 27.3 | Very low | 35.1 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 63% | 0.627 | 76% | 0.761 | S | S | * | * | 60.3 | 94.8 | 80.5 | -167.4 | -84.9 | 0 | 0 | 0 | 112.3 | L805 | F802-L805 HydrophobicContact CE2-CB 4.35Š| |||
| 803 | E | 37.1 | Very low | 34.8 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -156.5 | 51.1 | 134.2 | -164.2 | 53.7 | -136.3 | 0 | 0 | 109 | ||
| 804 | E | 34.8 | Very low | 34.5 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -153.1 | 68.6 | 172.6 | -165.4 | -170.7 | -178.1 | 0 | 0 | 111.1 | ||||
| 805 | L | 40.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 55% | 0.55 | 77% | 0.772 | S | S | . | * | trans | -159.4 | 93.3 | 160.4 | -157.5 | 63.6 | 0 | 0 | 0 | 115.8 | F802 T808 | F802-L805 HydrophobicContact CE2-CB 4.35Å; L805-T808 HydrophobicContact CD1-CG2 3.64Å; L805-T808 HydrophobicContact CD2-CG2 3.88Å; L805-T808 HydrophobicContact CG-CG2 3.97Å | ||
| 806 | I | 42.3 | Very low | 35.1 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | trans | -140.6 | 123.7 | 140.1 | -60.1 | -171.8 | 0 | 0 | 0 | 104.9 | ||||
| 807 | D | 31.9 | Very low | 35.2 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | cis | -139.6 | 163.3 | 18.2 | -138.5 | -30.3 | 0 | 0 | 0 | 113.1 | ||||
| 808 | T | 42.6 | Very low | 34.8 | Very low | 82 Ų | 82 | 150.6 Ų | 150.6 | 50% | 0.503 | 77% | 0.768 | S | S | . | * | trans | -131.5 | 136.3 | -175.9 | 57.4 | 0 | 0 | 0 | 0 | 115.6 | L805 | L805-T808 HydrophobicContact CD1-CG2 3.64Å; L805-T808 HydrophobicContact CD2-CG2 3.88Å; L805-T808 HydrophobicContact CG-CG2 3.97Å | ||
| 809 | N | 27.3 | Very low | 34.6 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -158 | 104.5 | 148.7 | -122.1 | -21.2 | 0 | 0 | 0 | 107.3 | ||||
| 810 | V | 37.6 | Very low | 34.3 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 58% | 0.576 | 76% | 0.759 | S | S | * | * | 54.1 | 116.2 | 67.3 | -159.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 811 | H | 30.1 | Very low | 34 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | -155.7 | 170.8 | 56.2 | -67.9 | -92.6 | 0 | 0 | 0 | 110.7 | |||||
| 812 | S | 30.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 144.6 Ų | 144.6 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | cis | -173.2 | 145.9 | -25.9 | -84.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 813 | K | 29.4 | Very low | 34 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | 57.4 | 114.7 | 157.2 | -61.7 | 170.5 | -178.7 | 177.1 | 0 | 120.1 | ||||
| 814 | A | 28.9 | Very low | 33.8 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | 171.9 | 150.5 | 111.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 815 | R | 38.8 | Very low | 33.6 | Very low | 242 Ų | 242 | 146.5 Ų | 146.5 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | -130.9 | 160.8 | 156.9 | -109.8 | -168.9 | 174.9 | -159.5 | -0.2 | 105.7 | ||||
| 816 | P | 41 | Very low | 33.1 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -139.4 | -168.9 | 30.2 | 44.2 | -25.9 | 0 | 0 | 0 | 115.6 | ||||
| 817 | L | 34.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 148 Ų | 148 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 6.9 | 126.1 | 141.9 | -177.5 | 71.2 | 0 | 0 | 0 | 118.5 | ||||
| 818 | I | 29.1 | Very low | 32.7 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | -161.6 | 167 | 148.9 | -106.5 | 154.9 | 0 | 0 | 0 | 109.1 | ||||
| 819 | E | 28.4 | Very low | 32.1 | Very low | 136 Ų | 136 | 153 Ų | 153 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | -60.7 | 167.4 | -172.6 | -65.6 | 92.8 | 153.1 | 0 | 0 | 116.1 | ||||
| 820 | S | 34.9 | Very low | 32.2 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -134.3 | 92.9 | 144 | -65.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 821 | E | 29.4 | Very low | 31.8 | Very low | 171 Ų | 171 | 154.1 Ų | 154.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -51 | 149.2 | 147.4 | -63.3 | 171.1 | 118.6 | 0 | 0 | 107.9 | ||||
| 822 | D | 33.7 | Very low | 31.7 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | -145.3 | 139.5 | 67.7 | -155.7 | -9.3 | 0 | 0 | 0 | 114.5 | |||||
| 823 | R | 31.5 | Very low | 31.7 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -96.1 | 109.5 | 167 | -85.3 | -178.3 | 162.4 | 91.7 | -6 | 108 | Q825 | R823-Q825 HydrophobicContact CB-CG 4.16Å; R823-Q825 PolarHBondContact O-N 2.98Å | ||
| 824 | N | 32 | Very low | 32 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -68.5 | 105.5 | 154.3 | -97.4 | -86.2 | 0 | 0 | 0 | 108.7 | ||||
| 825 | Q | 30.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -83.7 | 124.7 | -175.7 | -59.2 | 175.5 | 51.6 | 0 | 0 | 110.7 | R823 | R823-Q825 HydrophobicContact CB-CG 4.16Å; R823-Q825 PolarHBondContact O-N 2.98Å | ||
| 826 | V | 31.7 | Very low | 32.5 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 90% | 0.903 | 75% | 0.748 | S | S | * | * | trans | -127.6 | 119.5 | 148.3 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 827 | L | 31.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | -82.1 | 140.6 | -177.5 | 179.5 | 69.5 | 0 | 0 | 0 | 110.6 | ||||
| 828 | I | 34.4 | Very low | 32.6 | Very low | 158 Ų | 158 | 140 Ų | 140 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -173.5 | 123.7 | 136.3 | -95.9 | 150.7 | 0 | 0 | 0 | 110.6 | ||||
| 829 | H | 28.7 | Very low | 32.6 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | 14.8 | 150.6 | 161.8 | -89.6 | -98.7 | 0 | 0 | 0 | 125.5 | ||||
| 830 | C | 29.1 | Very low | 32.9 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 69% | 0.689 | 77% | 0.766 | S | S | * | * | trans | -74.6 | 158 | 171.3 | -47.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 831 | D | 28.9 | Very low | 32.7 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | 165.6 | 154.5 | 106.9 | -89.1 | -24.5 | 0 | 0 | 0 | 116.2 | |||||
| 832 | G | 29.5 | Very low | 33 | Very low | 52 Ų | 52 | 139.3 Ų | 139.3 | 54% | 0.536 | 76% | 0.758 | S | S | . | * | 97 | 66.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | K75 | K75-G832 PolarHBondContact NZ-O 2.83Š| |||
| 833 | S | 29.7 | Very low | 33 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | 66 | 155.4 | 126.5 | -160.2 | 0 | 0 | 0 | 0 | 123.4 | K75 | K75-S833 VanDerWaalsContact CE-O 3.31Å; K75-S833 WeakPolarHBondContact CE-O 3.37Å; K75-S833 PolarHBondContact NZ-O 3.3Å | |||
| 834 | S | 36.1 | Very low | 33.1 | Very low | 41 Ų | 41 | 137 Ų | 137 | 29% | 0.287 | 75% | 0.75 | S | S | . | * | trans | 53.8 | 126.6 | 146.7 | 38.8 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 835 | D | 35.6 | Very low | 33 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | 65.4 | 167.2 | 135.2 | -62.1 | -61.8 | 0 | 0 | 0 | 123.1 | ||||
| 836 | G | 43.1 | Very low | 33.4 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | -168.8 | -178.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 837 | T | 34.2 | Very low | 34.4 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -134.7 | 151.9 | -164.2 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 838 | R | 43 | Very low | 34.6 | Very low | 230 Ų | 230 | 128.9 Ų | 128.9 | 87% | 0.868 | 73% | 0.734 | S | S | * | * | trans | -91.1 | 146.6 | 173.1 | -55.7 | 174.2 | 177.4 | -147 | 5.2 | 111.3 | ||||
| 839 | V | 30 | Very low | 34.4 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | trans | -136.5 | 144.3 | 149.4 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 840 | A | 34.5 | Very low | 34.7 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | -119.2 | 159 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 841 | F | 29.7 | Very low | 34.9 | Very low | 192 Ų | 192 | 126.6 Ų | 126.6 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | -149.3 | 163.9 | 152.8 | -131.1 | -87.4 | 0 | 0 | 0 | 111.5 | ||||
| 842 | E | 35.3 | Very low | 35.2 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -70.2 | 142.1 | -167.1 | -68.7 | 172.3 | 148.4 | 0 | 0 | 113.4 | ||||
| 843 | E | 33.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | 85.3 | 165.9 | 70.4 | -146.6 | -130 | 116.6 | 0 | 0 | 113 | |||||
| 844 | K | 33.5 | Very low | 35.4 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 65.1 | 130 | -166.7 | -29.7 | -58 | 157.9 | -164.9 | 0 | 114.1 | ||||
| 845 | G | 31.7 | Very low | 35.3 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | cis | 175.8 | 138.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 846 | T | 38.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -76.4 | 152.1 | 174.2 | -6.9 | 0 | 0 | 0 | 0 | 111.2 | I848 | T846-I848 HydrophobicContact CG2-CG1 4.1Š| ||
| 847 | P | 50.8 | Low | 35.7 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | -134.1 | 148 | 82.1 | 34.7 | -19.7 | 0 | 0 | 0 | 112.6 | |||||
| 848 | I | 36 | Very low | 35.9 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | 58.7 | 100.7 | 67 | -51.9 | 172.2 | 0 | 0 | 0 | 113.3 | T846 | T846-I848 HydrophobicContact CG2-CG1 4.1Š| |||
| 849 | S | 30.2 | Very low | 35.8 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -145.7 | 116.3 | 144.1 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 850 | T | 35.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -69.9 | 166.8 | 167.4 | -34.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 851 | L | 33.8 | Very low | 37.3 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | 162.3 | 134.7 | 126.9 | -82.2 | 168.5 | 0 | 0 | 0 | 110.8 | |||||
| 852 | H | 34.2 | Very low | 38.1 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 24.9 | 129.9 | 162.2 | -54.4 | -81.8 | 0 | 0 | 0 | 120.9 | ||||
| 853 | S | 32.8 | Very low | 38.4 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | cis | 69.8 | 98.7 | 39.3 | -161.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 854 | S | 30.8 | Very low | 38.5 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -158 | 143.8 | 152.3 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 855 | S | 34.9 | Very low | 38.8 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -143 | 167.7 | 177.9 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 856 | Q | 37 | Very low | 39.1 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 106.2 | 145.3 | 172.5 | -58.7 | -59.6 | -19.8 | 0 | 0 | 116.7 | ||||
| 857 | P | 49.2 | Very low | 39.2 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | trans | -95.8 | -175.8 | -167.9 | 40.5 | -38.7 | 0 | 0 | 0 | 113 | ||||
| 858 | I | 38.3 | Very low | 38.5 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -116 | 110.4 | 167.8 | -61.7 | 173.4 | 0 | 0 | 0 | 108.4 | ||||
| 859 | E | 41.2 | Very low | 38.6 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -85.3 | 149.1 | 150.2 | -69.1 | -171.1 | 128.9 | 0 | 0 | 108.8 | ||||
| 860 | A | 50.1 | Low | 39.2 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -143.8 | 124.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 861 | M | 45.7 | Very low | 39.5 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 84% | 0.837 | 82% | 0.823 | S | S | * | * | trans | -111.9 | 146.5 | 179.2 | -85.6 | -83.4 | -75 | 0 | 0 | 110.2 | ||||
| 862 | S | 46.5 | Very low | 39.9 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 70% | 0.699 | 83% | 0.828 | S | S | * | * | trans | 45.2 | 120.1 | 156.6 | -56.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 863 | E | 41.9 | Very low | 40.4 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | -162.5 | 158.4 | 99.4 | -106.7 | -168.1 | 144 | 0 | 0 | 112.1 | |||||
| 864 | M | 36.7 | Very low | 41.1 | Very low | 260 Ų | 260 | 150.5 Ų | 150.5 | 100% | 1.281 | 84% | 0.836 | S | S | * | * | trans | 71.5 | 0 | -178.7 | -55.4 | -167.7 | -177.6 | 0 | 0 | 117.6 |
Retrieved 864 of 864 residues in 707.5 ms
(Link to these results)