| 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 | 33.5 | Very low | 32.7 | Very low | 229 Ų | 229 | 149.9 Ų | 149.9 | 100% | 1.128 | 78% | 0.776 | S | S | * | * | 0 | 123.3 | 0 | -70 | 175 | 177.6 | 0 | 0 | 106.4 | |||||
| 2 | F | 35.8 | Very low | 32.2 | Very low | 184 Ų | 184 | 151 Ų | 151 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | cis | -126.8 | 121.8 | -11.5 | -95.1 | -102.7 | 0 | 0 | 0 | 106.5 | ||||
| 3 | S | 32.9 | Very low | 32.1 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | 66.6 | 97.5 | 95.6 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 4 | N | 33.3 | Very low | 31.9 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 86.2 | 150.3 | 80.2 | -100.7 | -37.9 | 0 | 0 | 0 | 114.9 | |||||
| 5 | L | 33.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 76.7 | 133.7 | 174 | -54.2 | 161 | 0 | 0 | 0 | 114.9 | ||||
| 6 | K | 37.6 | Very low | 31.4 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | cis | -142.2 | 162.5 | -10 | -70.5 | 118.3 | 174.3 | -177.6 | 0 | 106.7 | ||||
| 7 | G | 31.9 | Very low | 31.2 | Very low | 62 Ų | 62 | 142.6 Ų | 142.6 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | cis | 112.7 | 134 | 5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 8 | L | 31 | Very low | 31 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | 78.4 | 141.2 | 173 | -51.2 | 160 | 0 | 0 | 0 | 113.9 | ||||
| 9 | V | 31.1 | Very low | 30.9 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -167 | 152.4 | 0.8 | 97.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 10 | K | 30.7 | Very low | 30.8 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 68.7 | 122.9 | 157.5 | -72.2 | 173.1 | -166.4 | 174.8 | 0 | 118.5 | ||||
| 11 | K | 28.1 | Very low | 30.7 | Very low | 150 Ų | 150 | 146 Ų | 146 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | 83.6 | 109.5 | 68.4 | -82.3 | -174.5 | 161.9 | -80.1 | 0 | 112.4 | |||||
| 12 | E | 27.5 | Very low | 30.7 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | 88.7 | 133.5 | 101.4 | -73.3 | 166.5 | 179.4 | 0 | 0 | 115.1 | |||||
| 13 | G | 30 | Very low | 30.6 | Very low | 64 Ų | 64 | 140.1 Ų | 140.1 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | 127.3 | 86.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 14 | T | 29.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | 78 | 111.1 | 75.5 | 63.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 15 | N | 28.6 | Very low | 30.8 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 66.5 | 135.5 | 139.3 | -63.1 | -15.8 | 0 | 0 | 0 | 121.9 | ||||
| 16 | K | 27.9 | Very low | 30.9 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 93% | 0.926 | 75% | 0.754 | S | S | * | * | trans | 70.9 | 145.7 | 171.2 | -52.9 | 177.7 | -179.4 | -175.1 | 0 | 114.4 | ||||
| 17 | G | 27.8 | Very low | 30.8 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | 167.6 | -179.3 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 18 | E | 27.2 | Very low | 30.9 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | 63.8 | 110.7 | 163.7 | -70.1 | 160.3 | -159.7 | 0 | 0 | 118.4 | ||||
| 19 | S | 29.1 | Very low | 31 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -3.6 | 127.8 | 141.1 | 160.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 20 | E | 28.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 66% | 0.659 | 74% | 0.744 | S | S | * | * | -164 | 146.1 | 109.5 | -108 | -163.4 | 127.6 | 0 | 0 | 115.2 | |||||
| 21 | R | 29.9 | Very low | 31.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 40.8 | 132.3 | 140.8 | -75.6 | -174.5 | 158.7 | 125.7 | -9.8 | 124 | ||||
| 22 | T | 32.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | 54.2 | 129.9 | 134.6 | 62.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 23 | D | 35.1 | Very low | 32 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 92% | 0.92 | 75% | 0.747 | S | S | * | * | -142.5 | 160.2 | 118.7 | -95.7 | -37.1 | 0 | 0 | 0 | 109.6 | |||||
| 24 | A | 33.6 | Very low | 32.2 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -159.1 | 139.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 25 | D | 35.5 | Very low | 32.4 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -140.4 | 124.8 | 165.7 | -78.5 | -56.5 | 0 | 0 | 0 | 107 | ||||
| 26 | I | 36.3 | Very low | 32.5 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | cis | 91.6 | 94.5 | 30.6 | -57.2 | 171.2 | 0 | 0 | 0 | 113.9 | ||||
| 27 | A | 35.4 | Very low | 32.7 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 175.3 | 146.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | F | 34.5 | Very low | 32.8 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | cis | -153.6 | 174.8 | -26.6 | -140.2 | -94.6 | 0 | 0 | 0 | 109.6 | ||||
| 29 | E | 32.7 | Very low | 33.1 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 51% | 0.514 | 74% | 0.739 | S | S | . | * | trans | -52.7 | 171.3 | -170.5 | -58.4 | -166.6 | 93.7 | 0 | 0 | 118.7 | R31 | E29-R31 VanDerWaalsContact CD-NH2 3.32Å; E29-R31 IonicContact OE1-CZ 2.81Å; E29-R31 IonicContact OE1-NE 3.85Å; E29-R31 PolarHBondContact OE1-NE 2.98Å; E29-R31 IonicContact OE1-NH2 3.7Å; E29-R31 PolarHBondContact OE1-NH2 3.04Å; E29-R31 IonicContact OE2-CZ 3.67Å; E29-R31 IonicContact OE2-NH2 3.05Å; E29-R31 PolarHBondContact OE2-NH2 3.11Å; E29-R31 VanDerWaalsContact OE2-NH2 3.13Å | ||
| 30 | T | 35.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -156.2 | 133.4 | 36.3 | 45.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 31 | R | 33.4 | Very low | 33.4 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | 46.6 | 146 | 123.8 | -46.2 | 179 | -170.5 | -176.6 | 6.7 | 120.2 | E29 | E29-R31 VanDerWaalsContact CD-NH2 3.32Å; E29-R31 IonicContact OE1-CZ 2.81Å; E29-R31 IonicContact OE1-NE 3.85Å; E29-R31 PolarHBondContact OE1-NE 2.98Å; E29-R31 IonicContact OE1-NH2 3.7Å; E29-R31 PolarHBondContact OE1-NH2 3.04Å; E29-R31 IonicContact OE2-CZ 3.67Å; E29-R31 IonicContact OE2-NH2 3.05Å; E29-R31 PolarHBondContact OE2-NH2 3.11Å; E29-R31 VanDerWaalsContact OE2-NH2 3.13Å | |||
| 32 | T | 35.6 | Very low | 33.6 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | cis | -145.7 | 136.7 | 28.8 | 49.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 33 | S | 33.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 24.2 | 143.7 | 132.9 | -41.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 34 | S | 33.9 | Very low | 33.2 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | cis | -166.2 | 143.5 | 47.7 | -54.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 35 | V | 34.9 | Very low | 32.9 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 64.8 | 132.9 | 130.7 | 166.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 36 | Q | 29.7 | Very low | 32.6 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | cis | -173.4 | 174.3 | -13.5 | -156.1 | 174.5 | 67.2 | 0 | 0 | 111.7 | ||||
| 37 | L | 32.4 | Very low | 32.3 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 84.6 | 82.7 | 158.2 | -58.2 | 178.6 | 0 | 0 | 0 | 121.7 | ||||
| 38 | K | 29.5 | Very low | 32 | Very low | 196 Ų | 196 | 130.9 Ų | 130.9 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | trans | -51.7 | -179 | 135.7 | -116.7 | 177.4 | -179.4 | 175.3 | 0 | 112.4 | ||||
| 39 | P | 33.9 | Very low | 31.8 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | cis | -146.8 | -171.8 | 6.6 | 29 | -1.9 | 0 | 0 | 0 | 118.8 | ||||
| 40 | T | 30.2 | Very low | 31.5 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 95.5 | 119.2 | 137.3 | 15.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 41 | S | 33.7 | Very low | 31.2 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -70.7 | 178 | 151.9 | -27.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 42 | P | 35.1 | Very low | 31 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -155.4 | -176.5 | 60.5 | 43.8 | -21.4 | 0 | 0 | 0 | 119.2 | |||||
| 43 | S | 27.2 | Very low | 30.7 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -33.1 | 154.3 | 168.7 | 58.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 44 | V | 31.8 | Very low | 30.6 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | 172.7 | 127.2 | 120.9 | 149.5 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 45 | A | 27 | Very low | 30.4 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | cis | 114.7 | 131.7 | 18.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 46 | S | 29.3 | Very low | 30.1 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 98.5 | 137.9 | 158.9 | 85.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 47 | N | 30.4 | Very low | 30.3 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | 71.8 | 145.7 | 144.8 | -59.3 | -18.5 | 0 | 0 | 0 | 120.5 | ||||
| 48 | H | 29.1 | Very low | 30.2 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | cis | -172.4 | 119 | -30.3 | -127.8 | 10.8 | 0 | 0 | 0 | 110 | ||||
| 49 | G | 29 | Very low | 30.4 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | 64.8 | -175.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 50 | R | 27.7 | Very low | 30.2 | Very low | 226 Ų | 226 | 128 Ų | 128 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | cis | -163.6 | 129.7 | -10.7 | -153.5 | -167.6 | 176.4 | 161 | -1 | 110.8 | ||||
| 51 | T | 27.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | trans | 55.1 | 143.5 | 148.1 | 49.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 52 | N | 29.5 | Very low | 30.1 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | 92.2 | 110.4 | 157 | -55.3 | -11.9 | 0 | 0 | 0 | 119.1 | ||||
| 53 | D | 28.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | 42.5 | 164.7 | 105.7 | -50.2 | -12.8 | 0 | 0 | 0 | 122.2 | |||||
| 54 | I | 32 | Very low | 29.8 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 100.5 | 83.7 | 178 | -59.4 | 168.3 | 0 | 0 | 0 | 111.9 | ||||
| 55 | T | 29.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 132 Ų | 132 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | 85.2 | 131.7 | 64.3 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 56 | E | 29.1 | Very low | 29.7 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 67.9 | 156.4 | 156.5 | -65.8 | 168.2 | -155.3 | 0 | 0 | 116.2 | ||||
| 57 | S | 33.1 | Very low | 29.6 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -152.9 | 144.6 | 22 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 58 | N | 29.8 | Very low | 29.4 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | trans | 46.9 | 136.1 | 130.1 | -50.6 | -16.1 | 0 | 0 | 0 | 119.3 | ||||
| 59 | S | 34.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | -162.2 | 142.5 | 61 | -57.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 60 | D | 28.9 | Very low | 29.8 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -62.3 | 162.4 | 165.5 | -49.4 | -93.3 | 0 | 0 | 0 | 112.8 | ||||
| 61 | S | 31.6 | Very low | 29.8 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | 170.3 | 135.3 | 104.7 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 62 | N | 31.1 | Very low | 29.8 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | 64.1 | 159.2 | 143.8 | -64.7 | -26.8 | 0 | 0 | 0 | 119.9 | ||||
| 63 | A | 27.5 | Very low | 29.6 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | cis | -172.1 | 136.6 | -28.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 64 | F | 28 | Very low | 29.7 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 63.7 | 147.8 | 147 | -87.2 | -98.8 | 0 | 0 | 0 | 122.7 | ||||
| 65 | Q | 28.4 | Very low | 29.6 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | trans | 84.2 | 100.4 | 149.7 | -73.2 | 176.4 | 38.6 | 0 | 0 | 122.9 | ||||
| 66 | N | 27.5 | Very low | 29.6 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | 56.3 | 102.6 | 111.6 | -59.4 | -9.5 | 0 | 0 | 0 | 120.8 | |||||
| 67 | K | 27.4 | Very low | 29.9 | Very low | 205 Ų | 205 | 131.2 Ų | 131.2 | 89% | 0.891 | 74% | 0.735 | S | S | * | * | 164.3 | 141 | 107.7 | -90.5 | 156.6 | -176 | 175.3 | 0 | 115 | |||||
| 68 | S | 27.7 | Very low | 30.2 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -93.5 | -177.4 | 157.7 | -47.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 69 | P | 38.8 | Very low | 30.4 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | -132.5 | 156 | -62.2 | 36.9 | -22.9 | 0 | 0 | 0 | 112.8 | |||||
| 70 | T | 27.6 | Very low | 30.6 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 83% | 0.828 | 72% | 0.721 | S | S | * | * | trans | -169 | 128.5 | 155.7 | 20.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 71 | S | 27.2 | Very low | 30.7 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | 36.9 | 147.2 | 134.6 | 74.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 72 | K | 27.2 | Very low | 30.8 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | 95.1 | 106.5 | 149.4 | -76.2 | 179.9 | 163 | -85.9 | 0 | 120.5 | ||||
| 73 | E | 26.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | 73.1 | 148.8 | 123.1 | -72.1 | 173.4 | 114.3 | 0 | 0 | 122.9 | |||||
| 74 | T | 29.8 | Very low | 31.2 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | 75.6 | 133.9 | 158.7 | 42 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 75 | D | 30.2 | Very low | 31.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | trans | 79.7 | 93 | 139.3 | -73.9 | 32 | 0 | 0 | 0 | 121.9 | ||||
| 76 | N | 30.3 | Very low | 32 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | 102.3 | 130.7 | 106.8 | -88.9 | -46 | 0 | 0 | 0 | 121.1 | |||||
| 77 | V | 34.2 | Very low | 32.1 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 88.6 | 100.5 | 135.7 | 166.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 78 | K | 41.5 | Very low | 32.3 | Very low | 171 Ų | 171 | 129 Ų | 129 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | 60.6 | 156.3 | 122.6 | -59 | -179.9 | -179.5 | 178.1 | 0 | 119.8 | |||||
| 79 | L | 32.7 | Very low | 32.6 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 60% | 0.602 | 73% | 0.727 | S | S | * | * | cis | -152.1 | 174.4 | -4.3 | -148.8 | 67.6 | 0 | 0 | 0 | 111.5 | ||||
| 80 | L | 38.9 | Very low | 32.3 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 46% | 0.461 | 73% | 0.728 | S | S | . | * | trans | -63.2 | 160.6 | 163.1 | -56.5 | 68.1 | 0 | 0 | 0 | 114.2 | ||||
| 81 | K | 30 | Very low | 32.5 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 90% | 0.9 | 73% | 0.729 | S | S | * | * | -147.9 | 139.7 | 123.3 | -93.1 | 177.3 | -179.6 | 179 | 0 | 107.8 | |||||
| 82 | C | 34.5 | Very low | 32.8 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 58% | 0.581 | 74% | 0.736 | S | S | * | * | cis | 97.1 | 150.6 | 19 | -61 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 83 | T | 31.2 | Very low | 33 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | trans | 74.9 | 144.1 | -174.2 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 84 | G | 36.4 | Very low | 33.3 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | 154.1 | -164.6 | 0.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 85 | P | 41.8 | Very low | 33.3 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -136.9 | -156.1 | -43.8 | 27.5 | -3 | 0 | 0 | 0 | 111.7 | ||||
| 86 | F | 31.3 | Very low | 33.5 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | trans | 83.4 | 148.7 | 164.4 | -68.5 | -71.4 | 0 | 0 | 0 | 121.5 | ||||
| 87 | G | 29.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | -156 | 176.7 | 168 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 88 | E | 30.5 | Very low | 33.4 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -142 | 143.4 | -167 | -133.8 | 173.7 | -162.3 | 0 | 0 | 111.6 | ||||
| 89 | L | 33.6 | Very low | 33.1 | Very low | 140 Ų | 140 | 129 Ų | 129 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 66.3 | 142.1 | 168.4 | -48.8 | 167.7 | 0 | 0 | 0 | 116.5 | ||||
| 90 | D | 32.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | cis | -155.6 | 174.8 | -11.1 | -119.6 | -5.4 | 0 | 0 | 0 | 111.4 | ||||
| 91 | D | 32.8 | Very low | 32.8 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -45.8 | 145.8 | -171.8 | -71.4 | -36.6 | 0 | 0 | 0 | 119 | ||||
| 92 | S | 32.6 | Very low | 32.8 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | 172.8 | 154.6 | 105.6 | -164.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 93 | D | 32.7 | Very low | 32.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -57.1 | 142.8 | -173.8 | -78.9 | -53.4 | 0 | 0 | 0 | 117.2 | ||||
| 94 | C | 31.4 | Very low | 32.9 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | -167.6 | 135.6 | 101.8 | -149.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 95 | G | 30.4 | Very low | 32.7 | Very low | 59 Ų | 59 | 136.8 Ų | 136.8 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | trans | -120.6 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 96 | S | 34 | Very low | 32.4 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 71.3 | 160.1 | -177.6 | -131.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 97 | V | 28.7 | Very low | 33.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -133 | 140.1 | 16.8 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 98 | M | 34.1 | Very low | 34.3 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -93.8 | 140.7 | 166.7 | -169.5 | -173 | -173.2 | 0 | 0 | 110.9 | ||||
| 99 | S | 34.3 | Very low | 36.1 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 83 | 125.8 | 170.5 | -45.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 100 | S | 33.5 | Very low | 37.6 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -149.7 | 119.2 | 131.7 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 101 | T | 31.6 | Very low | 39.1 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | 60.5 | 103.5 | 137.3 | -48.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 102 | F | 31.5 | Very low | 41.1 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | trans | -50.1 | 146.7 | 154.2 | -88.9 | -122.8 | 0 | 0 | 0 | 112.7 | L104 | F102-L104 HydrophobicContact CD1-CD2 4.37Š| ||
| 103 | R | 36.1 | Very low | 43.1 | Very low | 237 Ų | 237 | 123.7 Ų | 123.7 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | trans | -125.4 | 139.7 | 143.5 | -72.4 | -167.1 | 176 | -150.7 | -0.1 | 109.5 | ||||
| 104 | L | 30.5 | Very low | 44.9 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 81% | 0.806 | 69% | 0.691 | S | S | * | * | trans | -101.1 | 113.8 | -177.9 | -73.4 | 162.3 | 0 | 0 | 0 | 109.6 | F102 | F102-L104 HydrophobicContact CD1-CD2 4.37Š| ||
| 105 | S | 33.7 | Very low | 46.7 | Very low | 102 Ų | 102 | 119.7 Ų | 119.7 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | -147.9 | 114 | 167.6 | -71.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 106 | T | 33.9 | Very low | 49 | Very low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 63.2 | 148.2 | 155.4 | 46.5 | 0 | 0 | 0 | 0 | 120.8 | ||
| 107 | E | 49.3 | Very low | 51.2 | Low | 149 Ų | 149 | 124.5 Ų | 124.5 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | trans | 64.8 | 123.6 | 170.7 | -58.9 | -167.4 | -173.8 | 0 | 0 | 119.9 | S109 D110 | E107-S109 PolarHBondContact O-N 3.07Å; E107-D110 PolarHBondContact O-N 3.24Å | ||
| 108 | T | 52.8 | Low | 53.5 | Low | 120 Ų | 120 | 123 Ų | 123 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.9 | -25.3 | 172.5 | 33.9 | 0 | 0 | 0 | 0 | 113.4 | D110 I111 Q112 | T108-D110 PolarHBondContact O-N 3.32Å; T108-I111 PolarHBondContact O-N 3.15Å; T108-Q112 PolarHBondContact O-N 3.18Å |
| 109 | S | 68.5 | Low | 55.9 | Low | 64 Ų | 64 | 123.5 Ų | 123.5 | 45% | 0.448 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -51.1 | -42.7 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | E107 Q112 S113 | E107-S109 PolarHBondContact O-N 3.07Å; S109-Q112 PolarHBondContact O-N 2.86Å; S109-S113 VanDerWaalsContact O-CB 3.27Å; S109-S113 WeakPolarHBondContact O-CB 3.22Å; S109-S113 PolarHBondContact O-N 3.38Å; S109-S113 PolarHBondContact O-OG 2.85Å |
| 110 | D | 64.7 | Low | 58.1 | Low | 97 Ų | 97 | 123.6 Ų | 123.6 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -77.1 | -32.4 | -172.9 | -129.5 | 30.2 | 0 | 0 | 0 | 112.4 | E107 T108 R114 | E107-D110 PolarHBondContact O-N 3.24Å; T108-D110 PolarHBondContact O-N 3.32Å; D110-R114 WeakPolarHBondContact O-CB 3.19Å; D110-R114 PolarHBondContact O-N 2.88Å |
| 111 | I | 64.5 | Low | 60.3 | Low | 114 Ų | 114 | 125 Ų | 125 | 59% | 0.585 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68 | -46.4 | 171.9 | -62.2 | 177.6 | 0 | 0 | 0 | 109.9 | T108 S113 R114 C115 | T108-I111 PolarHBondContact O-N 3.15Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.47Å; I111-R114 PolarHBondContact O-N 3.23Å; I111-C115 PolarHBondContact O-N 3.44Å; I111-C115 PolarHBondContact O-SG 3.32Å; I111-C115 VanDerWaalsContact O-SG 3.41Å |
| 112 | Q | 74.7 | Confident | 62.6 | Low | 131 Ų | 131 | 121.8 Ų | 121.8 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.4 | -43.9 | 175.9 | -174.6 | 168.7 | -15 | 0 | 0 | 111.1 | T108 S109 R114 C115 Q116 | T108-Q112 PolarHBondContact O-N 3.18Å; S109-Q112 PolarHBondContact O-N 2.86Å; Q112-R114 VanDerWaalsContact C-N 3.33Å; Q112-R114 PolarHBondContact O-N 3.04Å; Q112-C115 PolarHBondContact O-N 3.11Å; Q112-Q116 WeakPolarHBondContact O-CB 3.48Å; Q112-Q116 PolarHBondContact O-N 3.04Å |
| 113 | S | 74.7 | Confident | 65.3 | Low | 43 Ų | 43 | 122.5 Ų | 122.5 | 30% | 0.301 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.2 | -26.6 | 177 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | S109 I111 R117 | S109-S113 VanDerWaalsContact O-CB 3.27Å; S109-S113 WeakPolarHBondContact O-CB 3.22Å; S109-S113 PolarHBondContact O-N 3.38Å; S109-S113 PolarHBondContact O-OG 2.85Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.47Å; S113-R117 WeakPolarHBondContact O-CB 3.42Å; S113-R117 WeakPolarHBondContact O-CG 3.47Å; S113-R117 PolarHBondContact O-N 3.31Å; S113-R117 PolarHBondContact O-NE 3.41Å |
| 114 | R | 69.8 | Low | 67.5 | Low | 135 Ų | 135 | 114.9 Ų | 114.9 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.8 | -45.9 | 168.9 | -85.6 | 174.2 | 61.6 | 167.9 | -3.2 | 111.7 | D110 I111 Q112 Q116 R117 V118 | D110-R114 WeakPolarHBondContact O-CB 3.19Å; D110-R114 PolarHBondContact O-N 2.88Å; I111-R114 PolarHBondContact O-N 3.23Å; Q112-R114 VanDerWaalsContact C-N 3.33Å; Q112-R114 PolarHBondContact O-N 3.04Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-Q116 PolarHBondContact O-N 3.47Å; R114-R117 PolarHBondContact O-N 3.47Å; R114-V118 WeakPolarHBondContact O-CG2 3.5Å; R114-V118 PolarHBondContact O-N 3.16Å |
| 115 | C | 70.5 | Confident | 70.1 | Confident | 67 Ų | 67 | 115.6 Ų | 115.6 | 45% | 0.453 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.8 | -45.1 | 176.3 | -71.9 | 0 | 0 | 0 | 0 | 111.6 | I111 Q112 R117 V118 Y119 | I111-C115 PolarHBondContact O-N 3.44Å; I111-C115 PolarHBondContact O-SG 3.32Å; I111-C115 VanDerWaalsContact O-SG 3.41Å; Q112-C115 PolarHBondContact O-N 3.11Å; C115-R117 PolarHBondContact O-N 2.99Å; C115-V118 PolarHBondContact O-N 3.42Å; C115-Y119 VanDerWaalsContact O-CD2 3.31Å; C115-Y119 WeakPolarHBondContact O-CD2 3.43Å; C115-Y119 PolarHBondContact O-N 3.23Å |
| 116 | Q | 78.5 | Confident | 72.6 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -38.4 | 179.7 | -164.1 | 168.2 | 3.2 | 0 | 0 | 112.2 | Q112 R114 Y119 Q120 | Q112-Q116 WeakPolarHBondContact O-CB 3.48Å; Q112-Q116 PolarHBondContact O-N 3.04Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-Q116 PolarHBondContact O-N 3.47Å; Q116-Y119 PolarHBondContact O-N 3.49Å; Q116-Q120 WeakPolarHBondContact O-CB 3.39Å; Q116-Q120 PolarHBondContact O-N 3.04Å |
| 117 | R | 78.4 | Confident | 75.1 | Confident | 153 Ų | 153 | 115.3 Ų | 115.3 | 58% | 0.577 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.9 | -43.2 | 170.6 | -81.4 | -177.3 | -77.2 | -179.6 | -7.7 | 112.7 | S113 R114 C115 Q120 M121 | S113-R117 WeakPolarHBondContact O-CB 3.42Å; S113-R117 WeakPolarHBondContact O-CG 3.47Å; S113-R117 PolarHBondContact O-N 3.31Å; S113-R117 PolarHBondContact O-NE 3.41Å; R114-R117 PolarHBondContact O-N 3.47Å; C115-R117 PolarHBondContact O-N 2.99Å; R117-Q120 PolarHBondContact O-N 3.5Å; R117-M121 WeakPolarHBondContact O-CB 3.39Å; R117-M121 WeakPolarHBondContact O-CG 3.45Å; R117-M121 PolarHBondContact O-N 2.92Å |
| 118 | V | 77.7 | Confident | 76.7 | Confident | 97 Ų | 97 | 115.6 Ų | 115.6 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -42.3 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | R114 C115 Q120 M121 A122 | R114-V118 WeakPolarHBondContact O-CG2 3.5Å; R114-V118 PolarHBondContact O-N 3.16Å; C115-V118 PolarHBondContact O-N 3.42Å; V118-Q120 PolarHBondContact O-N 3.1Å; V118-M121 PolarHBondContact O-N 3.37Å; V118-A122 WeakPolarHBondContact O-CB 3.5Å; V118-A122 PolarHBondContact O-N 3.21Å |
| 119 | Y | 83.8 | Confident | 78.2 | Confident | 181 Ų | 181 | 116.3 Ų | 116.3 | 71% | 0.71 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 173.6 | -88.8 | -69 | 0 | 0 | 0 | 112.3 | C115 Q116 A122 R123 | C115-Y119 VanDerWaalsContact O-CD2 3.31Å; C115-Y119 WeakPolarHBondContact O-CD2 3.43Å; C115-Y119 PolarHBondContact O-N 3.23Å; Q116-Y119 PolarHBondContact O-N 3.49Å; Y119-A122 PolarHBondContact O-N 3.27Å; Y119-R123 WeakPolarHBondContact O-CB 3.37Å; Y119-R123 PolarHBondContact O-N 3.44Å |
| 120 | Q | 81.5 | Confident | 79.1 | Confident | 104 Ų | 104 | 117.5 Ų | 117.5 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -39 | 177.2 | -163.4 | 67.8 | 5.2 | 0 | 0 | 111.9 | Q116 R117 V118 R123 N124 | Q116-Q120 WeakPolarHBondContact O-CB 3.39Å; Q116-Q120 PolarHBondContact O-N 3.04Å; R117-Q120 PolarHBondContact O-N 3.5Å; V118-Q120 PolarHBondContact O-N 3.1Å; Q120-R123 PolarHBondContact O-N 3.33Å; Q120-N124 WeakPolarHBondContact O-CB 3.43Å; Q120-N124 PolarHBondContact O-N 3.28Å; Q120-N124 PolarHBondContact O-OD1 3.13Å |
| 121 | M | 80.6 | Confident | 80 | Confident | 143 Ų | 143 | 118.2 Ų | 118.2 | 70% | 0.704 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 172.3 | -75.4 | 178.5 | 128.6 | 0 | 0 | 111.9 | R117 V118 N124 Y125 | R117-M121 WeakPolarHBondContact O-CB 3.39Å; R117-M121 WeakPolarHBondContact O-CG 3.45Å; R117-M121 PolarHBondContact O-N 2.92Å; V118-M121 PolarHBondContact O-N 3.37Å; M121-N124 PolarHBondContact O-N 2.96Å; M121-Y125 WeakPolarHBondContact O-CB 3.28Å; M121-Y125 PolarHBondContact O-N 3.37Å |
| 122 | A | 80 | Confident | 80.8 | Confident | 57 Ų | 57 | 117.8 Ų | 117.8 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V118 Y119 Y125 K126 | V118-A122 WeakPolarHBondContact O-CB 3.5Å; V118-A122 PolarHBondContact O-N 3.21Å; Y119-A122 PolarHBondContact O-N 3.27Å; A122-Y125 PolarHBondContact O-N 3.43Å; A122-K126 WeakPolarHBondContact O-CB 3.44Å; A122-K126 PolarHBondContact O-N 3.48Å |
| 123 | R | 86.1 | Confident | 81.4 | Confident | 165 Ų | 165 | 113.9 Ų | 113.9 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 173.7 | -174.2 | 175 | -177.6 | 163.9 | 1.2 | 111.5 | Y119 Q120 K126 I127 | Y119-R123 WeakPolarHBondContact O-CB 3.37Å; Y119-R123 PolarHBondContact O-N 3.44Å; Q120-R123 PolarHBondContact O-N 3.33Å; R123-K126 PolarHBondContact O-N 3.5Å; R123-I127 HydrophobicContact CG-CD1 4.09Å; R123-I127 WeakPolarHBondContact O-CG1 3.24Å; R123-I127 PolarHBondContact O-N 3.19Å |
| 124 | N | 82.7 | Confident | 81.9 | Confident | 78 Ų | 78 | 116 Ų | 116 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 177.8 | -69.9 | 3.7 | 0 | 0 | 0 | 111.8 | Q120 M121 I127 K128 | Q120-N124 WeakPolarHBondContact O-CB 3.43Å; Q120-N124 PolarHBondContact O-N 3.28Å; Q120-N124 PolarHBondContact O-OD1 3.13Å; M121-N124 PolarHBondContact O-N 2.96Å; N124-I127 PolarHBondContact O-N 3.17Å; N124-K128 WeakPolarHBondContact O-CG 3.27Å; N124-K128 PolarHBondContact O-N 2.82Å |
| 125 | Y | 84.9 | Confident | 82.3 | Confident | 168 Ų | 168 | 112.1 Ų | 112.1 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 173 | -177.1 | -93.8 | 0 | 0 | 0 | 111.4 | M121 A122 I127 K128 Y129 | M121-Y125 WeakPolarHBondContact O-CB 3.28Å; M121-Y125 PolarHBondContact O-N 3.37Å; A122-Y125 PolarHBondContact O-N 3.43Å; Y125-I127 VanDerWaalsContact C-N 3.34Å; Y125-I127 PolarHBondContact O-N 3.3Å; Y125-K128 PolarHBondContact O-N 3.1Å; Y125-Y129 WeakPolarHBondContact O-CB 3.35Å; Y125-Y129 PolarHBondContact O-N 3.38Å |
| 126 | K | 87.1 | Confident | 82.9 | Confident | 146 Ų | 146 | 116.2 Ų | 116.2 | 64% | 0.635 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.6 | -43.4 | 174.8 | -173.7 | -179.2 | 177.7 | -175.3 | 0 | 111.8 | A122 R123 Y129 Q130 | A122-K126 WeakPolarHBondContact O-CB 3.44Å; A122-K126 PolarHBondContact O-N 3.48Å; R123-K126 PolarHBondContact O-N 3.5Å; K126-Y129 PolarHBondContact O-N 3.21Å; K126-Q130 VanDerWaalsContact O-CB 3.3Å; K126-Q130 WeakPolarHBondContact O-CB 3.45Å; K126-Q130 PolarHBondContact O-N 3.15Å |
| 127 | I | 86.3 | Confident | 83.1 | Confident | 80 Ų | 80 | 116.3 Ų | 116.3 | 41% | 0.41 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 177.4 | -68.1 | 164.5 | 0 | 0 | 0 | 110.7 | R123 N124 Y125 Y129 Q130 Q131 | R123-I127 HydrophobicContact CG-CD1 4.09Å; R123-I127 WeakPolarHBondContact O-CG1 3.24Å; R123-I127 PolarHBondContact O-N 3.19Å; N124-I127 PolarHBondContact O-N 3.17Å; Y125-I127 VanDerWaalsContact C-N 3.34Å; Y125-I127 PolarHBondContact O-N 3.3Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.09Å; I127-Q130 WeakPolarHBondContact O-CB 3.5Å; I127-Q130 PolarHBondContact O-N 3.25Å; I127-Q131 HydrophobicContact CG2-CG 4.44Å; I127-Q131 WeakPolarHBondContact O-CG 3.37Å; I127-Q131 PolarHBondContact O-N 3.27Å |
| 128 | K | 82.5 | Confident | 83.2 | Confident | 154 Ų | 154 | 112.8 Ų | 112.8 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -36.5 | 177 | -74 | -168.4 | 172.7 | -162 | 0 | 113.1 | N124 Y125 L132 | N124-K128 WeakPolarHBondContact O-CG 3.27Å; N124-K128 PolarHBondContact O-N 2.82Å; Y125-K128 PolarHBondContact O-N 3.1Å; K128-L132 WeakPolarHBondContact O-CB 3.45Å; K128-L132 PolarHBondContact O-N 3.37Å |
| 129 | Y | 84.3 | Confident | 83.1 | Confident | 136 Ų | 136 | 113.4 Ų | 113.4 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 174.3 | -174.9 | -94.2 | 0 | 0 | 0 | 111.8 | Y125 K126 I127 L132 V133 | Y125-Y129 WeakPolarHBondContact O-CB 3.35Å; Y125-Y129 PolarHBondContact O-N 3.38Å; K126-Y129 PolarHBondContact O-N 3.21Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.09Å; Y129-L132 PolarHBondContact O-N 3.09Å; Y129-V133 HydrophobicContact CD1-CG2 4.2Å; Y129-V133 HydrophobicContact CE1-CG2 3.83Å; Y129-V133 WeakPolarHBondContact O-CG2 3.39Å; Y129-V133 PolarHBondContact O-N 3.07Å |
| 130 | Q | 88.7 | Confident | 82.5 | Confident | 88 Ų | 88 | 109.1 Ų | 109.1 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 174.3 | -169.8 | 76.2 | 38.4 | 0 | 0 | 110.9 | K126 I127 L132 V133 E134 | K126-Q130 VanDerWaalsContact O-CB 3.3Å; K126-Q130 WeakPolarHBondContact O-CB 3.45Å; K126-Q130 PolarHBondContact O-N 3.15Å; I127-Q130 WeakPolarHBondContact O-CB 3.5Å; I127-Q130 PolarHBondContact O-N 3.25Å; Q130-L132 PolarHBondContact O-N 2.63Å; Q130-V133 PolarHBondContact O-N 3.48Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.46Å; Q130-E134 PolarHBondContact NE2-OE1 3.18Å; Q130-E134 PolarHBondContact O-N 3.34Å |
| 131 | Q | 83.2 | Confident | 82.4 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.2 | -71 | 173.8 | -49.5 | 0 | 0 | 112.5 | I127 E134 A135 | I127-Q131 HydrophobicContact CG2-CG 4.44Å; I127-Q131 WeakPolarHBondContact O-CG 3.37Å; I127-Q131 PolarHBondContact O-N 3.27Å; Q131-E134 PolarHBondContact O-N 3.39Å; Q131-A135 WeakPolarHBondContact O-CB 3.27Å; Q131-A135 PolarHBondContact O-N 3.47Å |
| 132 | L | 81.5 | Confident | 82.1 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.5 | -177.2 | 63.4 | 0 | 0 | 0 | 112.1 | K128 Y129 Q130 Y136 | K128-L132 WeakPolarHBondContact O-CB 3.45Å; K128-L132 PolarHBondContact O-N 3.37Å; Y129-L132 PolarHBondContact O-N 3.09Å; Q130-L132 PolarHBondContact O-N 2.63Å; L132-Y136 HydrophobicContact CD1-CD2 4.5Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.42Å |
| 133 | V | 86.6 | Confident | 82 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 30% | 0.303 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 174.6 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | Y129 Q130 K137 | Y129-V133 HydrophobicContact CD1-CG2 4.2Å; Y129-V133 HydrophobicContact CE1-CG2 3.83Å; Y129-V133 WeakPolarHBondContact O-CG2 3.39Å; Y129-V133 PolarHBondContact O-N 3.07Å; Q130-V133 PolarHBondContact O-N 3.48Å; V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.42Å; V133-K137 VanDerWaalsContact O-N 3.17Å |
| 134 | E | 84.4 | Confident | 81.5 | Confident | 86 Ų | 86 | 100.6 Ų | 100.6 | 40% | 0.402 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.3 | -43.6 | 175.6 | -79 | 152.4 | -163.4 | 0 | 0 | 111.7 | Q130 Q131 Y136 K137 V138 | Q130-E134 WeakPolarHBondContact CG-OE1 3.46Å; Q130-E134 PolarHBondContact NE2-OE1 3.18Å; Q130-E134 PolarHBondContact O-N 3.34Å; Q131-E134 PolarHBondContact O-N 3.39Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 2.89Å; E134-K137 WeakPolarHBondContact O-CB 3.45Å; E134-K137 PolarHBondContact O-N 3.1Å; E134-K137 VanDerWaalsContact O-N 3.11Å; E134-V138 PolarHBondContact O-N 3.23Å; E134-V138 VanDerWaalsContact O-N 3.07Å |
| 135 | A | 79.8 | Confident | 81.4 | Confident | 54 Ų | 54 | 101.5 Ų | 101.5 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q131 K137 V138 M139 | Q131-A135 WeakPolarHBondContact O-CB 3.27Å; Q131-A135 PolarHBondContact O-N 3.47Å; A135-K137 VanDerWaalsContact C-N 3.32Å; A135-K137 PolarHBondContact O-N 2.75Å; A135-V138 PolarHBondContact O-N 3.31Å; A135-M139 WeakPolarHBondContact O-CB 3.44Å; A135-M139 PolarHBondContact O-N 3.07Å |
| 136 | Y | 81.8 | Confident | 81 | Confident | 153 Ų | 153 | 99 Ų | 99 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.9 | -35.6 | 174.7 | -115.5 | -88.6 | 0 | 0 | 0 | 113 | L132 E134 E140 | L132-Y136 HydrophobicContact CD1-CD2 4.5Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.42Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 2.89Å; Y136-E140 WeakPolarHBondContact O-CB 3.4Å; Y136-E140 PolarHBondContact O-N 3.26Å |
| 137 | K | 84.1 | Confident | 80.5 | Confident | 133 Ų | 133 | 97 Ų | 97 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69 | -39.5 | 176 | -73.5 | 170.2 | -179.5 | 177.1 | 0 | 112.5 | V133 E134 A135 S141 | V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.42Å; V133-K137 VanDerWaalsContact O-N 3.17Å; E134-K137 WeakPolarHBondContact O-CB 3.45Å; E134-K137 PolarHBondContact O-N 3.1Å; E134-K137 VanDerWaalsContact O-N 3.11Å; A135-K137 VanDerWaalsContact C-N 3.32Å; A135-K137 PolarHBondContact O-N 2.75Å; K137-S141 PolarHBondContact O-N 3.25Å |
| 138 | V | 79.9 | Confident | 80.1 | Confident | 79 Ų | 79 | 100 Ų | 100 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -50.6 | 175.3 | 176 | 0 | 0 | 0 | 0 | 109.8 | E134 A135 E140 S141 E142 | E134-V138 PolarHBondContact O-N 3.23Å; E134-V138 VanDerWaalsContact O-N 3.07Å; A135-V138 PolarHBondContact O-N 3.31Å; V138-E140 VanDerWaalsContact C-N 3.27Å; V138-E140 PolarHBondContact O-N 2.73Å; V138-S141 PolarHBondContact O-N 3.48Å; V138-S141 PolarHBondContact O-OG 2.88Å; V138-E142 HydrophobicContact CG1-CG 4.44Å; V138-E142 WeakPolarHBondContact O-CG 3.23Å; V138-E142 PolarHBondContact O-N 3.02Å |
| 139 | M | 74.4 | Confident | 79.9 | Confident | 110 Ų | 110 | 98.5 Ų | 98.5 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -37 | 177.6 | -169.2 | -168.5 | -56.7 | 0 | 0 | 112.7 | A135 R143 | A135-M139 WeakPolarHBondContact O-CB 3.44Å; A135-M139 PolarHBondContact O-N 3.07Å; M139-R143 VanDerWaalsContact O-CB 3.3Å; M139-R143 WeakPolarHBondContact O-CB 3.39Å; M139-R143 PolarHBondContact O-N 3.45Å |
| 140 | E | 73.2 | Confident | 79.5 | Confident | 90 Ų | 90 | 97 Ų | 97 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.9 | -32.3 | 175.1 | -179.2 | 137 | -123.5 | 0 | 0 | 113 | Y136 V138 R143 N144 | Y136-E140 WeakPolarHBondContact O-CB 3.4Å; Y136-E140 PolarHBondContact O-N 3.26Å; V138-E140 VanDerWaalsContact C-N 3.27Å; V138-E140 PolarHBondContact O-N 2.73Å; E140-R143 IonicContact OE1-CZ 2.69Å; E140-R143 IonicContact OE1-NE 3.88Å; E140-R143 IonicContact OE1-NH2 2.63Å; E140-R143 PolarHBondContact OE1-NH2 2.83Å; E140-N144 PolarHBondContact O-N 3.48Å; E140-N144 VanDerWaalsContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 3.49Å |
| 141 | S | 78.3 | Confident | 79 | Confident | 57 Ų | 57 | 95.3 Ų | 95.3 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 173.1 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | K137 V138 N144 N145 | K137-S141 PolarHBondContact O-N 3.25Å; V138-S141 PolarHBondContact O-N 3.48Å; V138-S141 PolarHBondContact O-OG 2.88Å; S141-N144 PolarHBondContact O-N 3.18Å; S141-N145 PolarHBondContact O-N 3.34Å; S141-N145 PolarHBondContact O-ND2 2.69Å; S141-N145 PolarHBondContact O-OD1 2.8Å |
| 142 | E | 74.6 | Confident | 78.7 | Confident | 97 Ų | 97 | 92.7 Ų | 92.7 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 172.9 | -69.7 | 176.2 | 155.6 | 0 | 0 | 112 | V138 N144 N145 L146 | V138-E142 HydrophobicContact CG1-CG 4.44Å; V138-E142 WeakPolarHBondContact O-CG 3.23Å; V138-E142 PolarHBondContact O-N 3.02Å; E142-N144 VanDerWaalsContact C-N 3.29Å; E142-N144 PolarHBondContact O-N 3.25Å; E142-N145 PolarHBondContact O-N 3.03Å; E142-L146 WeakPolarHBondContact O-CG 3.37Å; E142-L146 PolarHBondContact O-N 2.71Å |
| 143 | R | 77.1 | Confident | 78.7 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 23% | 0.234 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 174.8 | -169.2 | -166 | 58.2 | 55.1 | 5.2 | 111.8 | M139 E140 Q147 | M139-R143 VanDerWaalsContact O-CB 3.3Å; M139-R143 WeakPolarHBondContact O-CB 3.39Å; M139-R143 PolarHBondContact O-N 3.45Å; E140-R143 IonicContact OE1-CZ 2.69Å; E140-R143 IonicContact OE1-NE 3.88Å; E140-R143 IonicContact OE1-NH2 2.63Å; E140-R143 PolarHBondContact OE1-NH2 2.83Å; R143-Q147 VanDerWaalsContact O-CB 3.29Å; R143-Q147 WeakPolarHBondContact O-CB 3.44Å; R143-Q147 PolarHBondContact O-N 2.97Å |
| 144 | N | 76.3 | Confident | 78.4 | Confident | 74 Ų | 74 | 96.8 Ų | 96.8 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 176.5 | -68.9 | -34.3 | 0 | 0 | 0 | 111.7 | E140 S141 E142 Q147 Q148 | E140-N144 PolarHBondContact O-N 3.48Å; E140-N144 VanDerWaalsContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 3.49Å; S141-N144 PolarHBondContact O-N 3.18Å; E142-N144 VanDerWaalsContact C-N 3.29Å; E142-N144 PolarHBondContact O-N 3.25Å; N144-Q147 PolarHBondContact O-N 3.08Å; N144-Q148 WeakPolarHBondContact O-CB 3.22Å; N144-Q148 PolarHBondContact O-N 3.32Å |
| 145 | N | 80.7 | Confident | 78.2 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 176 | -67.4 | -18.5 | 0 | 0 | 0 | 111.4 | S141 E142 Q147 Q148 L149 | S141-N145 PolarHBondContact O-N 3.34Å; S141-N145 PolarHBondContact O-ND2 2.69Å; S141-N145 PolarHBondContact O-OD1 2.8Å; E142-N145 PolarHBondContact O-N 3.03Å; N145-Q147 PolarHBondContact O-N 3.34Å; N145-Q148 PolarHBondContact O-N 3.33Å; N145-L149 WeakPolarHBondContact O-CB 3.3Å; N145-L149 PolarHBondContact O-N 3.44Å |
| 146 | L | 76.7 | Confident | 78.3 | Confident | 116 Ų | 116 | 99.9 Ų | 99.9 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 176.2 | -72.4 | 171.6 | 0 | 0 | 0 | 112.2 | E142 L149 L150 | E142-L146 WeakPolarHBondContact O-CG 3.37Å; E142-L146 PolarHBondContact O-N 2.71Å; L146-L149 PolarHBondContact O-N 3.36Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 PolarHBondContact O-N 2.94Å |
| 147 | Q | 76.5 | Confident | 78.2 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -36.2 | 176.6 | -169.3 | 170 | 8.5 | 0 | 0 | 112 | R143 N144 N145 A151 | R143-Q147 VanDerWaalsContact O-CB 3.29Å; R143-Q147 WeakPolarHBondContact O-CB 3.44Å; R143-Q147 PolarHBondContact O-N 2.97Å; N144-Q147 PolarHBondContact O-N 3.08Å; N145-Q147 PolarHBondContact O-N 3.34Å; Q147-A151 WeakPolarHBondContact O-CB 3.49Å; Q147-A151 PolarHBondContact O-N 3Å |
| 148 | Q | 78.6 | Confident | 78 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 68% | 0.678 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.5 | -36.6 | 174.6 | -165.7 | 173.1 | 36.6 | 0 | 0 | 112.1 | N144 N145 S152 | N144-Q148 WeakPolarHBondContact O-CB 3.22Å; N144-Q148 PolarHBondContact O-N 3.32Å; N145-Q148 PolarHBondContact O-N 3.33Å; Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.41Å; Q148-S152 PolarHBondContact O-N 3.09Å |
| 149 | L | 77.4 | Confident | 78.1 | Confident | 121 Ų | 121 | 95 Ų | 95 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 172.3 | -169 | 75.8 | 0 | 0 | 0 | 111 | N145 L146 S152 H153 | N145-L149 WeakPolarHBondContact O-CB 3.3Å; N145-L149 PolarHBondContact O-N 3.44Å; L146-L149 PolarHBondContact O-N 3.36Å; L149-S152 PolarHBondContact O-N 3.43Å; L149-H153 WeakPolarHBondContact O-CB 3.3Å; L149-H153 PolarHBondContact O-N 2.79Å |
| 150 | L | 76 | Confident | 78.1 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 177.4 | -173.2 | 67.7 | 0 | 0 | 0 | 111.8 | L146 H153 Q154 | L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 PolarHBondContact O-N 2.94Å; L150-H153 PolarHBondContact O-N 3.36Å; L150-Q154 WeakPolarHBondContact O-CB 3.39Å; L150-Q154 WeakPolarHBondContact O-CG 3.25Å; L150-Q154 PolarHBondContact O-N 3.22Å |
| 151 | A | 78.1 | Confident | 78.3 | Confident | 53 Ų | 53 | 90.8 Ų | 90.8 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q147 A155 | Q147-A151 WeakPolarHBondContact O-CB 3.49Å; Q147-A151 PolarHBondContact O-N 3Å; A151-A155 VanDerWaalsContact O-CB 3.28Å; A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 3.32Å |
| 152 | S | 77.8 | Confident | 78.4 | Confident | 58 Ų | 58 | 92.9 Ų | 92.9 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 173 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | Q148 L149 A155 K156 | Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.41Å; Q148-S152 PolarHBondContact O-N 3.09Å; L149-S152 PolarHBondContact O-N 3.43Å; S152-A155 PolarHBondContact O-N 3.15Å; S152-K156 WeakPolarHBondContact O-CB 3.44Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 2.76Å |
| 153 | H | 80.6 | Confident | 78.6 | Confident | 119 Ų | 119 | 94.5 Ų | 94.5 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66 | -48 | 175.1 | -166.4 | -58 | 0 | 0 | 0 | 111.3 | L149 L150 A155 K156 T157 | L149-H153 WeakPolarHBondContact O-CB 3.3Å; L149-H153 PolarHBondContact O-N 2.79Å; L150-H153 PolarHBondContact O-N 3.36Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.23Å; H153-K156 CarbonylContact O-C 3.54Å; H153-K156 PolarHBondContact O-N 3.13Å; H153-K156 VanDerWaalsContact O-N 3.14Å; H153-T157 PolarHBondContact CE1-OG1 3.18Å; H153-T157 VanDerWaalsContact CE1-OG1 3.27Å; H153-T157 PolarHBondContact ND1-OG1 3.2Å; H153-T157 WeakPolarHBondContact O-CB 3.44Å; H153-T157 PolarHBondContact O-N 3.03Å; H153-T157 PolarHBondContact O-OG1 2.93Å |
| 154 | Q | 79.3 | Confident | 78.7 | Confident | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59 | -43 | 175.5 | -76 | -176.6 | -48 | 0 | 0 | 111.4 | L150 K156 T157 S158 | L150-Q154 WeakPolarHBondContact O-CB 3.39Å; L150-Q154 WeakPolarHBondContact O-CG 3.25Å; L150-Q154 PolarHBondContact O-N 3.22Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 3.32Å; Q154-T157 PolarHBondContact O-N 3.35Å; Q154-S158 WeakPolarHBondContact O-CB 3.46Å; Q154-S158 PolarHBondContact O-N 2.93Å; Q154-S158 PolarHBondContact O-OG 2.89Å |
| 155 | A | 81.6 | Confident | 79 | Confident | 54 Ų | 54 | 101.2 Ų | 101.2 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A151 S152 H153 K159 | A151-A155 VanDerWaalsContact O-CB 3.28Å; A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 3.32Å; S152-A155 PolarHBondContact O-N 3.15Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.23Å; A155-K159 WeakPolarHBondContact O-CB 3.46Å; A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.39Å; A155-K159 PolarHBondContact O-N 3.17Å; A155-K159 VanDerWaalsContact O-N 3.08Å |
| 156 | K | 80.9 | Confident | 79.1 | Confident | 150 Ų | 150 | 103.8 Ų | 103.8 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.9 | -43.9 | 172.3 | -75.5 | 177.9 | 178.8 | -171.8 | 0 | 112.1 | S152 H153 Q154 K159 S160 | S152-K156 WeakPolarHBondContact O-CB 3.44Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 2.76Å; H153-K156 CarbonylContact O-C 3.54Å; H153-K156 PolarHBondContact O-N 3.13Å; H153-K156 VanDerWaalsContact O-N 3.14Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 3.32Å; K156-K159 PolarHBondContact O-N 3.43Å; K156-S160 WeakPolarHBondContact O-CB 3.4Å; K156-S160 PolarHBondContact O-N 2.89Å |
| 157 | T | 79.3 | Confident | 79.2 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 111 | H153 Q154 S160 V161 | H153-T157 PolarHBondContact CE1-OG1 3.18Å; H153-T157 VanDerWaalsContact CE1-OG1 3.27Å; H153-T157 PolarHBondContact ND1-OG1 3.2Å; H153-T157 WeakPolarHBondContact O-CB 3.44Å; H153-T157 PolarHBondContact O-N 3.03Å; H153-T157 PolarHBondContact O-OG1 2.93Å; Q154-T157 PolarHBondContact O-N 3.35Å; T157-S160 PolarHBondContact O-N 3.27Å; T157-V161 HydrophobicContact CG2-CG2 4.4Å; T157-V161 WeakPolarHBondContact O-CB 3.44Å; T157-V161 VanDerWaalsContact O-CG2 3.27Å; T157-V161 WeakPolarHBondContact O-CG2 3.16Å; T157-V161 PolarHBondContact O-N 2.96Å |
| 158 | S | 80.2 | Confident | 79.3 | Confident | 68 Ų | 68 | 103.7 Ų | 103.7 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 173.2 | -69 | 0 | 0 | 0 | 0 | 111.2 | Q154 S160 V161 D162 | Q154-S158 WeakPolarHBondContact O-CB 3.46Å; Q154-S158 PolarHBondContact O-N 2.93Å; Q154-S158 PolarHBondContact O-OG 2.89Å; S158-S160 VanDerWaalsContact C-N 3.35Å; S158-S160 PolarHBondContact O-N 3.07Å; S158-V161 CarbonylContact O-C 3.48Å; S158-V161 PolarHBondContact O-N 3.41Å; S158-V161 VanDerWaalsContact O-N 3.13Å; S158-D162 WeakPolarHBondContact O-CB 3.26Å; S158-D162 PolarHBondContact O-N 3.23Å |
| 159 | K | 82.9 | Confident | 79.5 | Confident | 134 Ų | 134 | 101 Ų | 101 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 175.5 | -78.3 | -178.2 | 174.3 | -167.4 | 0 | 113.4 | A155 K156 V161 D162 E163 | A155-K159 WeakPolarHBondContact O-CB 3.46Å; A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.39Å; A155-K159 PolarHBondContact O-N 3.17Å; A155-K159 VanDerWaalsContact O-N 3.08Å; K156-K159 PolarHBondContact O-N 3.43Å; K159-V161 VanDerWaalsContact C-N 3.32Å; K159-V161 PolarHBondContact O-N 3.05Å; K159-D162 PolarHBondContact O-N 3.47Å; K159-E163 VanDerWaalsContact O-CB 3.28Å; K159-E163 WeakPolarHBondContact O-CB 3.41Å; K159-E163 VanDerWaalsContact O-CG 3.23Å; K159-E163 WeakPolarHBondContact O-CG 3.3Å; K159-E163 PolarHBondContact O-N 3.39Å |
| 160 | S | 74.9 | Confident | 79.9 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 176.6 | 177 | 0 | 0 | 0 | 0 | 112 | K156 T157 S158 M164 | K156-S160 WeakPolarHBondContact O-CB 3.4Å; K156-S160 PolarHBondContact O-N 2.89Å; T157-S160 PolarHBondContact O-N 3.27Å; S158-S160 VanDerWaalsContact C-N 3.35Å; S158-S160 PolarHBondContact O-N 3.07Å; S160-M164 WeakPolarHBondContact O-CB 3.44Å; S160-M164 VanDerWaalsContact O-CG 3.31Å; S160-M164 WeakPolarHBondContact O-CG 2.97Å; S160-M164 PolarHBondContact O-N 3.07Å |
| 161 | V | 76.3 | Confident | 79.8 | Confident | 51 Ų | 51 | 98.3 Ų | 98.3 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 173.7 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | T157 S158 K159 E163 M164 Y165 | T157-V161 HydrophobicContact CG2-CG2 4.4Å; T157-V161 WeakPolarHBondContact O-CB 3.44Å; T157-V161 VanDerWaalsContact O-CG2 3.27Å; T157-V161 WeakPolarHBondContact O-CG2 3.16Å; T157-V161 PolarHBondContact O-N 2.96Å; S158-V161 CarbonylContact O-C 3.48Å; S158-V161 PolarHBondContact O-N 3.41Å; S158-V161 VanDerWaalsContact O-N 3.13Å; K159-V161 VanDerWaalsContact C-N 3.32Å; K159-V161 PolarHBondContact O-N 3.05Å; V161-E163 VanDerWaalsContact C-N 3.35Å; V161-M164 HydrophobicContact CG2-CE 4.03Å; V161-M164 PolarHBondContact O-N 2.76Å; V161-Y165 HydrophobicContact CG1-CD2 3.61Å; V161-Y165 HydrophobicContact CG1-CE2 3.41Å; V161-Y165 VanDerWaalsContact CG1-CE2 3.41Å; V161-Y165 WeakPolarHBondContact O-CB 3.26Å; V161-Y165 WeakPolarHBondContact O-CD2 3.45Å; V161-Y165 PolarHBondContact O-N 2.84Å |
| 162 | D | 81 | Confident | 80 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 173.5 | -63.8 | -31.2 | 0 | 0 | 0 | 111 | S158 K159 Y165 K166 | S158-D162 WeakPolarHBondContact O-CB 3.26Å; S158-D162 PolarHBondContact O-N 3.23Å; K159-D162 PolarHBondContact O-N 3.47Å; D162-Y165 PolarHBondContact O-N 3.12Å; D162-K166 WeakPolarHBondContact O-CB 3.45Å; D162-K166 PolarHBondContact O-N 3.14Å |
| 163 | E | 79.2 | Confident | 80.3 | Confident | 131 Ų | 131 | 103 Ų | 103 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.9 | -40.1 | 173.6 | -76.1 | 165.4 | -170.9 | 0 | 0 | 111.5 | K159 V161 K166 K167 | K159-E163 VanDerWaalsContact O-CB 3.28Å; K159-E163 WeakPolarHBondContact O-CB 3.41Å; K159-E163 VanDerWaalsContact O-CG 3.23Å; K159-E163 WeakPolarHBondContact O-CG 3.3Å; K159-E163 PolarHBondContact O-N 3.39Å; V161-E163 VanDerWaalsContact C-N 3.35Å; E163-K166 PolarHBondContact O-N 3.38Å; E163-K167 WeakPolarHBondContact O-CB 3.11Å; E163-K167 PolarHBondContact O-N 3.45Å |
| 164 | M | 77.9 | Confident | 80.3 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 172.1 | -77 | -166 | -54 | 0 | 0 | 112.5 | S160 V161 K166 K167 L168 | S160-M164 WeakPolarHBondContact O-CB 3.44Å; S160-M164 VanDerWaalsContact O-CG 3.31Å; S160-M164 WeakPolarHBondContact O-CG 2.97Å; S160-M164 PolarHBondContact O-N 3.07Å; V161-M164 HydrophobicContact CG2-CE 4.03Å; V161-M164 PolarHBondContact O-N 2.76Å; M164-K166 VanDerWaalsContact C-N 3.31Å; M164-K166 PolarHBondContact O-N 3.33Å; M164-K167 PolarHBondContact O-N 3.35Å; M164-L168 VanDerWaalsContact O-CB 3.3Å; M164-L168 WeakPolarHBondContact O-CB 3.47Å; M164-L168 PolarHBondContact O-N 3.22Å |
| 165 | Y | 82.5 | Confident | 80.5 | Confident | 159 Ų | 159 | 101.6 Ų | 101.6 | 62% | 0.624 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 174.6 | -82.2 | -57.1 | 0 | 0 | 0 | 111.4 | V161 D162 L168 E169 | V161-Y165 HydrophobicContact CG1-CD2 3.61Å; V161-Y165 HydrophobicContact CG1-CE2 3.41Å; V161-Y165 VanDerWaalsContact CG1-CE2 3.41Å; V161-Y165 WeakPolarHBondContact O-CB 3.26Å; V161-Y165 WeakPolarHBondContact O-CD2 3.45Å; V161-Y165 PolarHBondContact O-N 2.84Å; D162-Y165 PolarHBondContact O-N 3.12Å; Y165-L168 PolarHBondContact O-N 3.34Å; Y165-E169 WeakPolarHBondContact O-CB 3.44Å; Y165-E169 PolarHBondContact O-N 2.94Å |
| 166 | K | 84.5 | Confident | 80.6 | Confident | 152 Ų | 152 | 103.4 Ų | 103.4 | 66% | 0.661 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.8 | -35.3 | 176.1 | -169.4 | 174.2 | -177.3 | -178.3 | 0 | 112.5 | D162 E163 M164 L170 | D162-K166 WeakPolarHBondContact O-CB 3.45Å; D162-K166 PolarHBondContact O-N 3.14Å; E163-K166 PolarHBondContact O-N 3.38Å; M164-K166 VanDerWaalsContact C-N 3.31Å; M164-K166 PolarHBondContact O-N 3.33Å; K166-L170 WeakPolarHBondContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.37Å |
| 167 | K | 77.5 | Confident | 80.7 | Confident | 127 Ų | 127 | 101.4 Ų | 101.4 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -48.5 | 171.8 | -165.4 | -169.4 | 170.7 | -171 | 0 | 110.6 | E163 M164 E169 L170 D171 | E163-K167 WeakPolarHBondContact O-CB 3.11Å; E163-K167 PolarHBondContact O-N 3.45Å; M164-K167 PolarHBondContact O-N 3.35Å; K167-E169 PolarHBondContact O-N 3.09Å; K167-L170 CarbonylContact O-C 3.57Å; K167-L170 WeakPolarHBondContact O-CA 3.32Å; K167-L170 WeakPolarHBondContact O-CB 3.4Å; K167-L170 PolarHBondContact O-N 3.46Å; K167-D171 WeakPolarHBondContact CE-OD2 3.41Å; K167-D171 WeakPolarHBondContact O-CB 3.47Å; K167-D171 PolarHBondContact O-N 3.03Å |
| 168 | L | 79.1 | Confident | 80.6 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.4 | -35.8 | 176.5 | -178.3 | 64.4 | 0 | 0 | 0 | 112.4 | M164 Y165 K172 | M164-L168 VanDerWaalsContact O-CB 3.3Å; M164-L168 WeakPolarHBondContact O-CB 3.47Å; M164-L168 PolarHBondContact O-N 3.22Å; Y165-L168 PolarHBondContact O-N 3.34Å; L168-K172 WeakPolarHBondContact O-CB 3.49Å; L168-K172 VanDerWaalsContact O-CG 3.3Å; L168-K172 WeakPolarHBondContact O-CG 3.43Å; L168-K172 PolarHBondContact O-N 3.26Å |
| 169 | E | 82.7 | Confident | 80.8 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.9 | -35.7 | 175.4 | -162.5 | 65.8 | -173.7 | 0 | 0 | 112.6 | Y165 K167 K172 Q173 | Y165-E169 WeakPolarHBondContact O-CB 3.44Å; Y165-E169 PolarHBondContact O-N 2.94Å; K167-E169 PolarHBondContact O-N 3.09Å; E169-K172 IonicContact OE2-NZ 2.68Å; E169-K172 PolarHBondContact OE2-NZ 2.88Å; E169-Q173 WeakPolarHBondContact O-CB 3.48Å; E169-Q173 VanDerWaalsContact O-CG 3.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 2.83Å |
| 170 | L | 84.9 | Confident | 80.9 | Confident | 89 Ų | 89 | 103 Ų | 103 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 170.5 | -81.7 | 163.3 | 0 | 0 | 0 | 112.3 | K166 K167 Q173 T174 | K166-L170 WeakPolarHBondContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.37Å; K167-L170 CarbonylContact O-C 3.57Å; K167-L170 WeakPolarHBondContact O-CA 3.32Å; K167-L170 WeakPolarHBondContact O-CB 3.4Å; K167-L170 PolarHBondContact O-N 3.46Å; L170-Q173 PolarHBondContact O-N 3.21Å; L170-T174 WeakPolarHBondContact O-CB 3.38Å; L170-T174 PolarHBondContact O-N 2.85Å; L170-T174 PolarHBondContact O-OG1 3.28Å |
| 171 | D | 74.8 | Confident | 81.2 | Confident | 81 Ų | 81 | 104.3 Ų | 104.3 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 178.2 | -64 | -19.6 | 0 | 0 | 0 | 110 | K167 K175 | K167-D171 WeakPolarHBondContact CE-OD2 3.41Å; K167-D171 WeakPolarHBondContact O-CB 3.47Å; K167-D171 PolarHBondContact O-N 3.03Å; D171-K175 WeakPolarHBondContact O-CB 3.44Å; D171-K175 PolarHBondContact O-N 3.18Å |
| 172 | K | 82.5 | Confident | 81.3 | Confident | 100 Ų | 100 | 107.8 Ų | 107.8 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 168.3 | -77.4 | -179.5 | -151.7 | 155 | 0 | 112.7 | L168 E169 T174 K175 D176 | L168-K172 WeakPolarHBondContact O-CB 3.49Å; L168-K172 VanDerWaalsContact O-CG 3.3Å; L168-K172 WeakPolarHBondContact O-CG 3.43Å; L168-K172 PolarHBondContact O-N 3.26Å; E169-K172 IonicContact OE2-NZ 2.68Å; E169-K172 PolarHBondContact OE2-NZ 2.88Å; K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 2.87Å; K172-K175 PolarHBondContact O-N 3.21Å; K172-K175 VanDerWaalsContact O-N 3.14Å; K172-D176 WeakPolarHBondContact O-CB 3.35Å; K172-D176 PolarHBondContact O-N 2.97Å |
| 173 | Q | 84.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 110.8 Ų | 110.8 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 179.2 | -76.7 | 174.9 | 9.2 | 0 | 0 | 110.9 | E169 L170 D176 E177 | E169-Q173 WeakPolarHBondContact O-CB 3.48Å; E169-Q173 VanDerWaalsContact O-CG 3.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 2.83Å; L170-Q173 PolarHBondContact O-N 3.21Å; Q173-D176 PolarHBondContact O-N 2.87Å; Q173-E177 VanDerWaalsContact O-CB 3.26Å; Q173-E177 WeakPolarHBondContact O-CB 3.37Å; Q173-E177 PolarHBondContact O-N 2.67Å |
| 174 | T | 80.8 | Confident | 82 | Confident | 86 Ų | 86 | 110.9 Ų | 110.9 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.7 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | L170 K172 E177 L178 | L170-T174 WeakPolarHBondContact O-CB 3.38Å; L170-T174 PolarHBondContact O-N 2.85Å; L170-T174 PolarHBondContact O-OG1 3.28Å; K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 2.87Å; T174-E177 PolarHBondContact O-N 2.94Å; T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 PolarHBondContact O-N 2.85Å |
| 175 | K | 82.3 | Confident | 82.2 | Confident | 126 Ų | 126 | 109.8 Ų | 109.8 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 173.8 | 179.3 | 177.7 | 173.9 | 178.3 | 0 | 112.5 | D171 K172 E177 L178 E179 | D171-K175 WeakPolarHBondContact O-CB 3.44Å; D171-K175 PolarHBondContact O-N 3.18Å; K172-K175 PolarHBondContact O-N 3.21Å; K172-K175 VanDerWaalsContact O-N 3.14Å; K175-E177 PolarHBondContact O-N 3.24Å; K175-L178 PolarHBondContact O-N 3.14Å; K175-E179 VanDerWaalsContact CE-OE1 3.23Å; K175-E179 WeakPolarHBondContact CE-OE1 3.41Å; K175-E179 IonicContact NZ-OE1 2.7Å; K175-E179 PolarHBondContact O-N 3.31Å |
| 176 | D | 84.8 | Confident | 82.1 | Confident | 92 Ų | 92 | 107.6 Ų | 107.6 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -29.6 | 178.7 | -77.2 | -5.8 | 0 | 0 | 0 | 111.6 | K172 Q173 R180 | K172-D176 WeakPolarHBondContact O-CB 3.35Å; K172-D176 PolarHBondContact O-N 2.97Å; Q173-D176 PolarHBondContact O-N 2.87Å; D176-R180 VanDerWaalsContact C-NH2 3.34Å; D176-R180 VanDerWaalsContact O-CB 3.28Å; D176-R180 WeakPolarHBondContact O-CB 3.3Å; D176-R180 PolarHBondContact O-N 2.76Å; D176-R180 PolarHBondContact O-NH2 3.05Å; D176-R180 VanDerWaalsContact O-NH2 3.08Å |
| 177 | E | 81.7 | Confident | 82.1 | Confident | 107 Ų | 107 | 103.5 Ų | 103.5 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.6 | -46.2 | 171.9 | -160.9 | 122 | -86.4 | 0 | 0 | 110.9 | Q173 T174 K175 E179 R180 D181 | Q173-E177 VanDerWaalsContact O-CB 3.26Å; Q173-E177 WeakPolarHBondContact O-CB 3.37Å; Q173-E177 PolarHBondContact O-N 2.67Å; T174-E177 PolarHBondContact O-N 2.94Å; K175-E177 PolarHBondContact O-N 3.24Å; E177-E179 PolarHBondContact O-N 2.95Å; E177-R180 CarbonylContact O-C 3.6Å; E177-R180 WeakPolarHBondContact O-CA 3.24Å; E177-R180 WeakPolarHBondContact O-CB 3.45Å; E177-R180 PolarHBondContact O-N 3.02Å; E177-R180 IonicContact OE1-CZ 3.9Å; E177-R180 IonicContact OE1-NH1 3.16Å; E177-R180 PolarHBondContact OE1-NH1 3.42Å; E177-D181 PolarHBondContact O-N 3.34Å |
| 178 | L | 78.6 | Confident | 82.4 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 176.1 | -150.4 | 79.1 | 0 | 0 | 0 | 112.1 | T174 K175 R180 D181 F182 | T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 PolarHBondContact O-N 2.85Å; K175-L178 PolarHBondContact O-N 3.14Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 2.89Å; L178-D181 PolarHBondContact O-N 3.34Å; L178-F182 HydrophobicContact CD2-CE2 3.78Å; L178-F182 HydrophobicContact CD2-CZ 4.45Å; L178-F182 HydrophobicContact CG-CD2 4.23Å; L178-F182 HydrophobicContact CG-CE2 3.79Å; L178-F182 HydrophobicContact CG-CZ 4.47Å; L178-F182 WeakPolarHBondContact O-CB 3.5Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 WeakPolarHBondContact O-CG 3.43Å; L178-F182 PolarHBondContact O-N 3.11Å |
| 179 | E | 83 | Confident | 82.5 | Confident | 74 Ų | 74 | 103.5 Ų | 103.5 | 35% | 0.346 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 171.6 | -82.7 | -160.2 | -144.9 | 0 | 0 | 112.2 | K175 E177 R183 | K175-E179 VanDerWaalsContact CE-OE1 3.23Å; K175-E179 WeakPolarHBondContact CE-OE1 3.41Å; K175-E179 IonicContact NZ-OE1 2.7Å; K175-E179 PolarHBondContact O-N 3.31Å; E177-E179 PolarHBondContact O-N 2.95Å; E179-R183 WeakPolarHBondContact O-CB 3.43Å; E179-R183 WeakPolarHBondContact O-CD 3.35Å; E179-R183 WeakPolarHBondContact O-CG 3.18Å; E179-R183 PolarHBondContact O-N 3.25Å; E179-R183 IonicContact OE2-NE 2.63Å; E179-R183 IonicContact OE2-NH2 3.69Å; E179-R183 PolarHBondContact OE2-NH2 2.99Å; E179-R183 VanDerWaalsContact OE2-NH2 3.16Å |
| 180 | R | 86.9 | Confident | 82.6 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.2 | -41.2 | 177.1 | -163.1 | -179 | -46.5 | 120.7 | 17.9 | 111.3 | D176 E177 L178 R183 R184 | D176-R180 VanDerWaalsContact C-NH2 3.34Å; D176-R180 VanDerWaalsContact O-CB 3.28Å; D176-R180 WeakPolarHBondContact O-CB 3.3Å; D176-R180 PolarHBondContact O-N 2.76Å; D176-R180 PolarHBondContact O-NH2 3.05Å; D176-R180 VanDerWaalsContact O-NH2 3.08Å; E177-R180 CarbonylContact O-C 3.6Å; E177-R180 WeakPolarHBondContact O-CA 3.24Å; E177-R180 WeakPolarHBondContact O-CB 3.45Å; E177-R180 PolarHBondContact O-N 3.02Å; E177-R180 IonicContact OE1-CZ 3.9Å; E177-R180 IonicContact OE1-NH1 3.16Å; E177-R180 PolarHBondContact OE1-NH1 3.42Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 2.89Å; R180-R183 PolarHBondContact O-N 3.26Å; R180-R184 WeakPolarHBondContact O-CB 3.22Å; R180-R184 PolarHBondContact O-N 2.84Å |
| 181 | D | 80.9 | Confident | 82.6 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 172.8 | -85.3 | -9.4 | 0 | 0 | 0 | 111.8 | E177 L178 R183 R184 L185 | E177-D181 PolarHBondContact O-N 3.34Å; L178-D181 PolarHBondContact O-N 3.34Å; D181-R183 PolarHBondContact O-N 3.15Å; D181-R184 PolarHBondContact O-N 3.04Å; D181-L185 VanDerWaalsContact O-CB 3.25Å; D181-L185 WeakPolarHBondContact O-CB 3.27Å; D181-L185 PolarHBondContact O-N 3.36Å |
| 182 | F | 78.2 | Confident | 83 | Confident | 125 Ų | 125 | 106.1 Ų | 106.1 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 171.9 | -75.2 | -50.4 | 0 | 0 | 0 | 112.1 | L178 L185 L186 | L178-F182 HydrophobicContact CD2-CE2 3.78Å; L178-F182 HydrophobicContact CD2-CZ 4.45Å; L178-F182 HydrophobicContact CG-CD2 4.23Å; L178-F182 HydrophobicContact CG-CE2 3.79Å; L178-F182 HydrophobicContact CG-CZ 4.47Å; L178-F182 WeakPolarHBondContact O-CB 3.5Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 WeakPolarHBondContact O-CG 3.43Å; L178-F182 PolarHBondContact O-N 3.11Å; F182-L185 PolarHBondContact O-N 3.13Å; F182-L186 VanDerWaalsContact O-CB 3.25Å; F182-L186 WeakPolarHBondContact O-CB 3.13Å; F182-L186 WeakPolarHBondContact O-CG 3.43Å; F182-L186 PolarHBondContact O-N 3.28Å |
| 183 | R | 87.6 | Confident | 82.9 | Confident | 162 Ų | 162 | 104.4 Ų | 104.4 | 61% | 0.611 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | 174.4 | -73.8 | 167.5 | -163.5 | -88.4 | -0.4 | 112.5 | E179 R180 D181 S187 | E179-R183 WeakPolarHBondContact O-CB 3.43Å; E179-R183 WeakPolarHBondContact O-CD 3.35Å; E179-R183 WeakPolarHBondContact O-CG 3.18Å; E179-R183 PolarHBondContact O-N 3.25Å; E179-R183 IonicContact OE2-NE 2.63Å; E179-R183 IonicContact OE2-NH2 3.69Å; E179-R183 PolarHBondContact OE2-NH2 2.99Å; E179-R183 VanDerWaalsContact OE2-NH2 3.16Å; R180-R183 PolarHBondContact O-N 3.26Å; D181-R183 PolarHBondContact O-N 3.15Å; R183-S187 WeakPolarHBondContact O-CB 3.32Å; R183-S187 PolarHBondContact O-N 3.45Å; R183-S187 PolarHBondContact O-OG 3.34Å |
| 184 | R | 85.8 | Confident | 82.9 | Confident | 133 Ų | 133 | 103.7 Ų | 103.7 | 50% | 0.502 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -50.2 | 174.7 | 178.8 | -179.2 | 179.3 | 160.1 | 3.8 | 110.9 | R180 D181 L186 S187 E188 | R180-R184 WeakPolarHBondContact O-CB 3.22Å; R180-R184 PolarHBondContact O-N 2.84Å; D181-R184 PolarHBondContact O-N 3.04Å; R184-L186 VanDerWaalsContact C-N 3.35Å; R184-L186 PolarHBondContact O-N 2.91Å; R184-S187 CarbonylContact O-C 3.2Å; R184-S187 WeakPolarHBondContact O-CA 3.45Å; R184-S187 WeakPolarHBondContact O-CB 3.31Å; R184-S187 PolarHBondContact O-N 2.76Å; R184-E188 WeakPolarHBondContact CG-OE1 3.44Å; R184-E188 IonicContact NE-OE1 2.63Å; R184-E188 PolarHBondContact NE-OE1 3.43Å; R184-E188 VanDerWaalsContact NE-OE1 3.1Å; R184-E188 WeakPolarHBondContact O-CG 3.4Å; R184-E188 PolarHBondContact O-N 3Å |
| 185 | L | 83.1 | Confident | 83 | Confident | 95 Ų | 95 | 103 Ų | 103 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 178.8 | -164.2 | 112.6 | 0 | 0 | 0 | 111.3 | D181 F182 S187 E188 K189 | D181-L185 VanDerWaalsContact O-CB 3.25Å; D181-L185 WeakPolarHBondContact O-CB 3.27Å; D181-L185 PolarHBondContact O-N 3.36Å; F182-L185 PolarHBondContact O-N 3.13Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.77Å; L185-E188 PolarHBondContact O-N 3.07Å; L185-K189 WeakPolarHBondContact O-CB 2.98Å; L185-K189 WeakPolarHBondContact O-CG 3.46Å; L185-K189 PolarHBondContact O-N 3.02Å |
| 186 | L | 79.6 | Confident | 82.8 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 60% | 0.597 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 171 | -77 | 168.4 | 0 | 0 | 0 | 111.7 | F182 R184 K189 E190 | F182-L186 VanDerWaalsContact O-CB 3.25Å; F182-L186 WeakPolarHBondContact O-CB 3.13Å; F182-L186 WeakPolarHBondContact O-CG 3.43Å; F182-L186 PolarHBondContact O-N 3.28Å; R184-L186 VanDerWaalsContact C-N 3.35Å; R184-L186 PolarHBondContact O-N 2.91Å; L186-K189 CarbonylContact O-C 3.55Å; L186-K189 PolarHBondContact O-N 3.04Å; L186-E190 WeakPolarHBondContact O-CB 3.44Å; L186-E190 WeakPolarHBondContact O-CG 3.41Å; L186-E190 PolarHBondContact O-N 3.01Å |
| 187 | S | 84.7 | Confident | 82.5 | Confident | 65 Ų | 65 | 101.8 Ų | 101.8 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 176.7 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | R183 R184 L185 E190 E191 | R183-S187 WeakPolarHBondContact O-CB 3.32Å; R183-S187 PolarHBondContact O-N 3.45Å; R183-S187 PolarHBondContact O-OG 3.34Å; R184-S187 CarbonylContact O-C 3.2Å; R184-S187 WeakPolarHBondContact O-CA 3.45Å; R184-S187 WeakPolarHBondContact O-CB 3.31Å; R184-S187 PolarHBondContact O-N 2.76Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.77Å; S187-E190 PolarHBondContact O-N 3.08Å; S187-E191 PolarHBondContact O-N 2.89Å |
| 188 | E | 83.9 | Confident | 82.5 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.3 | -70.6 | 177.1 | -162.1 | 0 | 0 | 111.1 | R184 L185 E191 I192 | R184-E188 WeakPolarHBondContact CG-OE1 3.44Å; R184-E188 IonicContact NE-OE1 2.63Å; R184-E188 PolarHBondContact NE-OE1 3.43Å; R184-E188 VanDerWaalsContact NE-OE1 3.1Å; R184-E188 WeakPolarHBondContact O-CG 3.4Å; R184-E188 PolarHBondContact O-N 3Å; L185-E188 PolarHBondContact O-N 3.07Å; E188-E191 PolarHBondContact O-N 3.17Å; E188-I192 WeakPolarHBondContact O-CD1 3.28Å; E188-I192 VanDerWaalsContact O-CG1 3.28Å; E188-I192 WeakPolarHBondContact O-CG1 3.02Å; E188-I192 PolarHBondContact O-N 3.4Å |
| 189 | K | 82 | Confident | 82.3 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 171.5 | -67.5 | -69.3 | 178.9 | -177.7 | 0 | 112.1 | L185 L186 I192 I193 | L185-K189 WeakPolarHBondContact O-CB 2.98Å; L185-K189 WeakPolarHBondContact O-CG 3.46Å; L185-K189 PolarHBondContact O-N 3.02Å; L186-K189 CarbonylContact O-C 3.55Å; L186-K189 PolarHBondContact O-N 3.04Å; K189-I192 PolarHBondContact O-N 2.86Å; K189-I193 WeakPolarHBondContact O-CB 3.22Å; K189-I193 WeakPolarHBondContact O-CD1 3.31Å; K189-I193 WeakPolarHBondContact O-CG1 3.42Å; K189-I193 PolarHBondContact O-N 3.28Å |
| 190 | E | 84.6 | Confident | 81.7 | Confident | 112 Ų | 112 | 101.6 Ų | 101.6 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 173.5 | -82.7 | -158.3 | 161.8 | 0 | 0 | 112.4 | L186 S187 I193 K194 | L186-E190 WeakPolarHBondContact O-CB 3.44Å; L186-E190 WeakPolarHBondContact O-CG 3.41Å; L186-E190 PolarHBondContact O-N 3.01Å; S187-E190 PolarHBondContact O-N 3.08Å; E190-I193 CarbonylContact O-C 3.59Å; E190-I193 PolarHBondContact O-N 3.42Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 VanDerWaalsContact O-CG 3.25Å; E190-K194 WeakPolarHBondContact O-CG 3.43Å; E190-K194 PolarHBondContact O-N 2.93Å; E190-K194 IonicContact OE2-NZ 2.81Å |
| 191 | E | 84.1 | Confident | 81.1 | Confident | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 174.8 | -71.2 | -54.8 | 136.3 | 0 | 0 | 112.1 | S187 E188 K194 S195 | S187-E191 PolarHBondContact O-N 2.89Å; E188-E191 PolarHBondContact O-N 3.17Å; E191-K194 PolarHBondContact O-N 2.86Å; E191-K194 WeakPolarHBondContact OE1-CD 3.34Å; E191-K194 IonicContact OE1-NZ 2.95Å; E191-K194 PolarHBondContact OE1-NZ 2.78Å; E191-S195 WeakPolarHBondContact O-CB 3.08Å; E191-S195 PolarHBondContact O-N 3.41Å |
| 192 | I | 83 | Confident | 80.8 | Confident | 88 Ų | 88 | 101.3 Ų | 101.3 | 45% | 0.451 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 170.2 | -69.4 | 164.2 | 0 | 0 | 0 | 110.5 | E188 K189 S195 L196 | E188-I192 WeakPolarHBondContact O-CD1 3.28Å; E188-I192 VanDerWaalsContact O-CG1 3.28Å; E188-I192 WeakPolarHBondContact O-CG1 3.02Å; E188-I192 PolarHBondContact O-N 3.4Å; K189-I192 PolarHBondContact O-N 2.86Å; I192-S195 PolarHBondContact O-N 2.68Å; I192-L196 HydrophobicContact CG2-CD1 3.82Å; I192-L196 HydrophobicContact CG2-CG 4.3Å; I192-L196 WeakPolarHBondContact O-CB 3.42Å; I192-L196 WeakPolarHBondContact O-CG 3.33Å; I192-L196 PolarHBondContact O-N 2.92Å |
| 193 | I | 80.6 | Confident | 80.5 | Confident | 64 Ų | 64 | 101.5 Ų | 101.5 | 33% | 0.328 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.6 | -73.1 | 164.5 | 0 | 0 | 0 | 111.4 | K189 E190 R197 | K189-I193 WeakPolarHBondContact O-CB 3.22Å; K189-I193 WeakPolarHBondContact O-CD1 3.31Å; K189-I193 WeakPolarHBondContact O-CG1 3.42Å; K189-I193 PolarHBondContact O-N 3.28Å; E190-I193 CarbonylContact O-C 3.59Å; E190-I193 PolarHBondContact O-N 3.42Å; I193-R197 HydrophobicContact CG2-CG 4.4Å; I193-R197 VanDerWaalsContact CG2-CZ 3.5Å; I193-R197 VanDerWaalsContact CG2-NE 3.31Å; I193-R197 VanDerWaalsContact O-CB 3.26Å; I193-R197 WeakPolarHBondContact O-CB 3.48Å; I193-R197 WeakPolarHBondContact O-CG 3.41Å; I193-R197 PolarHBondContact O-N 2.96Å |
| 194 | K | 85.8 | Confident | 79.7 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 172.9 | -73 | 163.8 | -158.2 | 165.8 | 0 | 110.5 | E190 E191 R197 L198 | E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 VanDerWaalsContact O-CG 3.25Å; E190-K194 WeakPolarHBondContact O-CG 3.43Å; E190-K194 PolarHBondContact O-N 2.93Å; E190-K194 IonicContact OE2-NZ 2.81Å; E191-K194 PolarHBondContact O-N 2.86Å; E191-K194 WeakPolarHBondContact OE1-CD 3.34Å; E191-K194 IonicContact OE1-NZ 2.95Å; E191-K194 PolarHBondContact OE1-NZ 2.78Å; K194-R197 PolarHBondContact O-N 3.17Å; K194-L198 WeakPolarHBondContact O-CB 3.44Å; K194-L198 PolarHBondContact O-N 3.09Å |
| 195 | S | 81.9 | Confident | 79 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 51% | 0.51 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | E191 I192 L198 Q199 | E191-S195 WeakPolarHBondContact O-CB 3.08Å; E191-S195 PolarHBondContact O-N 3.41Å; I192-S195 PolarHBondContact O-N 2.68Å; S195-L198 PolarHBondContact O-N 3.44Å; S195-Q199 WeakPolarHBondContact O-CB 3.5Å; S195-Q199 PolarHBondContact O-N 3.46Å |
| 196 | L | 77.8 | Confident | 78.5 | Confident | 70 Ų | 70 | 94.8 Ų | 94.8 | 37% | 0.366 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.1 | -71.6 | 173.6 | 0 | 0 | 0 | 112.1 | I192 Q199 C200 | I192-L196 HydrophobicContact CG2-CD1 3.82Å; I192-L196 HydrophobicContact CG2-CG 4.3Å; I192-L196 WeakPolarHBondContact O-CB 3.42Å; I192-L196 WeakPolarHBondContact O-CG 3.33Å; I192-L196 PolarHBondContact O-N 2.92Å; L196-Q199 PolarHBondContact O-N 3.37Å; L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 3.08Å; L196-C200 PolarHBondContact O-SG 3.37Å |
| 197 | R | 78.1 | Confident | 78.1 | Confident | 121 Ų | 121 | 95.1 Ų | 95.1 | 46% | 0.457 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 171.7 | -76.1 | 173.6 | -170.1 | 179.1 | 8.8 | 111.1 | I193 K194 Q199 C200 D201 | I193-R197 HydrophobicContact CG2-CG 4.4Å; I193-R197 VanDerWaalsContact CG2-CZ 3.5Å; I193-R197 VanDerWaalsContact CG2-NE 3.31Å; I193-R197 VanDerWaalsContact O-CB 3.26Å; I193-R197 WeakPolarHBondContact O-CB 3.48Å; I193-R197 WeakPolarHBondContact O-CG 3.41Å; I193-R197 PolarHBondContact O-N 2.96Å; K194-R197 PolarHBondContact O-N 3.17Å; R197-Q199 VanDerWaalsContact C-N 3.26Å; R197-Q199 PolarHBondContact O-N 3.31Å; R197-C200 CarbonylContact O-C 3.6Å; R197-C200 PolarHBondContact O-N 3.1Å; R197-D201 WeakPolarHBondContact O-CB 3.42Å; R197-D201 PolarHBondContact O-N 2.93Å |
| 198 | L | 81.9 | Confident | 76.9 | Confident | 125 Ų | 125 | 96.9 Ų | 96.9 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -35.2 | 179.1 | -149.5 | 115.6 | 0 | 0 | 0 | 112 | K194 S195 Q202 | K194-L198 WeakPolarHBondContact O-CB 3.44Å; K194-L198 PolarHBondContact O-N 3.09Å; S195-L198 PolarHBondContact O-N 3.44Å; L198-Q202 WeakPolarHBondContact O-CB 3.3Å; L198-Q202 PolarHBondContact O-N 3.4Å |
| 199 | Q | 75.5 | Confident | 76.1 | Confident | 118 Ų | 118 | 100.7 Ų | 100.7 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.4 | -41.3 | 175.8 | -168.4 | 169.5 | 0.3 | 0 | 0 | 112.2 | S195 L196 R197 Q202 Q203 | S195-Q199 WeakPolarHBondContact O-CB 3.5Å; S195-Q199 PolarHBondContact O-N 3.46Å; L196-Q199 PolarHBondContact O-N 3.37Å; R197-Q199 VanDerWaalsContact C-N 3.26Å; R197-Q199 PolarHBondContact O-N 3.31Å; Q199-Q202 PolarHBondContact O-N 2.87Å; Q199-Q203 WeakPolarHBondContact O-CB 3.45Å; Q199-Q203 PolarHBondContact O-N 3.45Å |
| 200 | C | 69.2 | Low | 75.3 | Confident | 32 Ų | 32 | 98.3 Ų | 98.3 | 22% | 0.216 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 171.3 | -75.5 | 0 | 0 | 0 | 0 | 111.9 | L196 R197 Q203 N204 | L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 3.08Å; L196-C200 PolarHBondContact O-SG 3.37Å; R197-C200 CarbonylContact O-C 3.6Å; R197-C200 PolarHBondContact O-N 3.1Å; C200-Q203 PolarHBondContact O-N 3.07Å; C200-N204 VanDerWaalsContact O-CB 3.25Å; C200-N204 WeakPolarHBondContact O-CB 3.02Å; C200-N204 PolarHBondContact O-N 2.95Å; C200-N204 PolarHBondContact O-ND2 3.44Å |
| 201 | D | 75.3 | Confident | 73.8 | Confident | 91 Ų | 91 | 97.5 Ų | 97.5 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.6 | -70.7 | -26.3 | 0 | 0 | 0 | 110.1 | R197 Q203 N204 I205 | R197-D201 WeakPolarHBondContact O-CB 3.42Å; R197-D201 PolarHBondContact O-N 2.93Å; D201-Q203 VanDerWaalsContact C-N 3.32Å; D201-Q203 PolarHBondContact O-N 3.48Å; D201-N204 PolarHBondContact O-N 3.12Å; D201-I205 VanDerWaalsContact O-CB 3.22Å; D201-I205 WeakPolarHBondContact O-CB 3.4Å; D201-I205 WeakPolarHBondContact O-CD1 3.2Å; D201-I205 WeakPolarHBondContact O-CG1 3.35Å; D201-I205 PolarHBondContact O-N 2.57Å |
| 202 | Q | 74.5 | Confident | 72.4 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 174.7 | -163.4 | 75.1 | 13.1 | 0 | 0 | 112.1 | L198 Q199 N206 | L198-Q202 WeakPolarHBondContact O-CB 3.3Å; L198-Q202 PolarHBondContact O-N 3.4Å; Q199-Q202 PolarHBondContact O-N 2.87Å; Q202-N206 VanDerWaalsContact O-CG 3.24Å; Q202-N206 PolarHBondContact O-N 2.97Å; Q202-N206 VanDerWaalsContact O-N 3.1Å; Q202-N206 PolarHBondContact O-ND2 2.97Å |
| 203 | Q | 72.1 | Confident | 71.2 | Confident | 129 Ų | 129 | 95.7 Ų | 95.7 | 60% | 0.603 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -75.4 | -39.3 | -179.3 | -166.9 | 167.4 | 1.1 | 0 | 0 | 112.4 | Q199 C200 D201 N206 K207 | Q199-Q203 WeakPolarHBondContact O-CB 3.45Å; Q199-Q203 PolarHBondContact O-N 3.45Å; C200-Q203 PolarHBondContact O-N 3.07Å; D201-Q203 VanDerWaalsContact C-N 3.32Å; D201-Q203 PolarHBondContact O-N 3.48Å; Q203-N206 WeakPolarHBondContact O-CB 3.37Å; Q203-N206 PolarHBondContact O-N 3.41Å; Q203-K207 PolarHBondContact O-N 3.35Å |
| 204 | N | 70 | Confident | 69.8 | Low | 80 Ų | 80 | 98.9 Ų | 98.9 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 172.2 | -77.7 | -22.8 | 0 | 0 | 0 | 111.5 | C200 D201 N206 K207 L208 | C200-N204 VanDerWaalsContact O-CB 3.25Å; C200-N204 WeakPolarHBondContact O-CB 3.02Å; C200-N204 PolarHBondContact O-N 2.95Å; C200-N204 PolarHBondContact O-ND2 3.44Å; D201-N204 PolarHBondContact O-N 3.12Å; N204-N206 PolarHBondContact O-N 3.49Å; N204-K207 PolarHBondContact O-N 2.66Å; N204-L208 WeakPolarHBondContact O-CB 3.48Å; N204-L208 VanDerWaalsContact O-CG 3.24Å; N204-L208 WeakPolarHBondContact O-CG 3.19Å; N204-L208 PolarHBondContact O-N 2.97Å |
| 205 | I | 72.1 | Confident | 68.3 | Low | 81 Ų | 81 | 97.2 Ų | 97.2 | 42% | 0.415 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 172 | -73.7 | 165.2 | 0 | 0 | 0 | 110.9 | D201 R209 | D201-I205 VanDerWaalsContact O-CB 3.22Å; D201-I205 WeakPolarHBondContact O-CB 3.4Å; D201-I205 WeakPolarHBondContact O-CD1 3.2Å; D201-I205 WeakPolarHBondContact O-CG1 3.35Å; D201-I205 PolarHBondContact O-N 2.57Å; I205-R209 VanDerWaalsContact O-CB 3.23Å; I205-R209 WeakPolarHBondContact O-CB 2.97Å; I205-R209 WeakPolarHBondContact O-CG 3.43Å; I205-R209 PolarHBondContact O-N 3.46Å |
| 206 | N | 71.7 | Confident | 66.8 | Low | 89 Ų | 89 | 100.6 Ų | 100.6 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.9 | -44.5 | 174.1 | -72.6 | -27.6 | 0 | 0 | 0 | 112.3 | Q202 Q203 N204 R209 S210 | Q202-N206 VanDerWaalsContact O-CG 3.24Å; Q202-N206 PolarHBondContact O-N 2.97Å; Q202-N206 VanDerWaalsContact O-N 3.1Å; Q202-N206 PolarHBondContact O-ND2 2.97Å; Q203-N206 WeakPolarHBondContact O-CB 3.37Å; Q203-N206 PolarHBondContact O-N 3.41Å; N204-N206 PolarHBondContact O-N 3.49Å; N206-R209 WeakPolarHBondContact O-CB 3.41Å; N206-R209 PolarHBondContact O-N 3.39Å; N206-R209 VanDerWaalsContact O-N 3.17Å; N206-S210 PolarHBondContact O-N 2.76Å; N206-S210 VanDerWaalsContact O-N 3.16Å; N206-S210 PolarHBondContact O-OG 2.87Å |
| 207 | K | 70.9 | Confident | 65.4 | Low | 120 Ų | 120 | 104.9 Ų | 104.9 | 52% | 0.522 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 177.1 | -176.2 | 176.3 | 171.6 | -177.3 | 0 | 112 | Q203 N204 R209 S210 E211 | Q203-K207 PolarHBondContact O-N 3.35Å; N204-K207 PolarHBondContact O-N 2.66Å; K207-R209 PolarHBondContact O-N 3.11Å; K207-S210 PolarHBondContact O-N 2.84Å; K207-S210 VanDerWaalsContact O-N 3.13Å; K207-S210 PolarHBondContact O-OG 3.05Å; K207-E211 WeakPolarHBondContact CE-OE1 3.5Å; K207-E211 WeakPolarHBondContact CG-OE1 3.29Å; K207-E211 IonicContact NZ-OE1 3.13Å; K207-E211 WeakPolarHBondContact O-CG 3.45Å; K207-E211 PolarHBondContact O-N 2.76Å |
| 208 | L | 59.7 | Low | 64.4 | Low | 103 Ų | 103 | 102.3 Ų | 102.3 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -29 | 172.2 | -69.2 | 170.8 | 0 | 0 | 0 | 112.1 | N204 L212 | N204-L208 WeakPolarHBondContact O-CB 3.48Å; N204-L208 VanDerWaalsContact O-CG 3.24Å; N204-L208 WeakPolarHBondContact O-CG 3.19Å; N204-L208 PolarHBondContact O-N 2.97Å; L208-L212 WeakPolarHBondContact O-CA 3.41Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.36Å |
| 209 | R | 66.7 | Low | 62.8 | Low | 179 Ų | 179 | 102.3 Ų | 102.3 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69 | -35.3 | 172.7 | -89.4 | 176.6 | 176.4 | -163.8 | 1.3 | 113.3 | I205 N206 K207 A213 | I205-R209 VanDerWaalsContact O-CB 3.23Å; I205-R209 WeakPolarHBondContact O-CB 2.97Å; I205-R209 WeakPolarHBondContact O-CG 3.43Å; I205-R209 PolarHBondContact O-N 3.46Å; N206-R209 WeakPolarHBondContact O-CB 3.41Å; N206-R209 PolarHBondContact O-N 3.39Å; N206-R209 VanDerWaalsContact O-N 3.17Å; K207-R209 PolarHBondContact O-N 3.11Å; R209-A213 PolarHBondContact O-N 2.82Å |
| 210 | S | 65.3 | Low | 62 | Low | 67 Ų | 67 | 99.8 Ų | 99.8 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -51.2 | 169.1 | 28.4 | 0 | 0 | 0 | 0 | 111.1 | N206 K207 L212 A213 D214 | N206-S210 PolarHBondContact O-N 2.76Å; N206-S210 VanDerWaalsContact O-N 3.16Å; N206-S210 PolarHBondContact O-OG 2.87Å; K207-S210 PolarHBondContact O-N 2.84Å; K207-S210 VanDerWaalsContact O-N 3.13Å; K207-S210 PolarHBondContact O-OG 3.05Å; S210-L212 VanDerWaalsContact C-N 3.32Å; S210-L212 PolarHBondContact O-N 3.43Å; S210-A213 VanDerWaalsContact O-CB 3.31Å; S210-A213 WeakPolarHBondContact O-CB 3.05Å; S210-A213 PolarHBondContact O-N 3.38Å; S210-D214 PolarHBondContact O-N 2.94Å |
| 211 | E | 52.9 | Low | 61.3 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -33.2 | -175.7 | -68.2 | 164.8 | 175.6 | 0 | 0 | 112.3 | K207 A213 S215 | K207-E211 WeakPolarHBondContact CE-OE1 3.5Å; K207-E211 WeakPolarHBondContact CG-OE1 3.29Å; K207-E211 IonicContact NZ-OE1 3.13Å; K207-E211 WeakPolarHBondContact O-CG 3.45Å; K207-E211 PolarHBondContact O-N 2.76Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-S215 WeakPolarHBondContact O-CB 3.48Å; E211-S215 PolarHBondContact O-N 3.38Å |
| 212 | L | 55 | Low | 60.3 | Low | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -77.8 | -14.2 | 174.1 | -170.7 | 62.3 | 0 | 0 | 0 | 113.6 | L208 S210 K216 | L208-L212 WeakPolarHBondContact O-CA 3.41Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.36Å; S210-L212 VanDerWaalsContact C-N 3.32Å; S210-L212 PolarHBondContact O-N 3.43Å; L212-K216 WeakPolarHBondContact O-CG 3.3Å |
| 213 | A | 57.5 | Low | 59.4 | Low | 65 Ų | 65 | 102.7 Ų | 102.7 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.2 | -46.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R209 S210 E211 | R209-A213 PolarHBondContact O-N 2.82Å; S210-A213 VanDerWaalsContact O-CB 3.31Å; S210-A213 WeakPolarHBondContact O-CB 3.05Å; S210-A213 PolarHBondContact O-N 3.38Å; E211-A213 VanDerWaalsContact C-N 3.34Å |
| 214 | D | 51.9 | Low | 58.8 | Low | 131 Ų | 131 | 103.5 Ų | 103.5 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -79.7 | -39.3 | -178.9 | -63.2 | -31.6 | 0 | 0 | 0 | 112.4 | S210 K216 L217 | S210-D214 PolarHBondContact O-N 2.94Å; D214-K216 PolarHBondContact O-N 3.46Å; D214-K216 VanDerWaalsContact O-N 3.12Å; D214-L217 PolarHBondContact O-N 3.23Å; D214-L217 VanDerWaalsContact O-N 3.12Å |
| 215 | S | 54.9 | Low | 57.8 | Low | 58 Ų | 58 | 105.7 Ų | 105.7 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.8 | -27.5 | -178.9 | 179 | 0 | 0 | 0 | 0 | 113.9 | E211 L217 S218 Q219 | E211-S215 WeakPolarHBondContact O-CB 3.48Å; E211-S215 PolarHBondContact O-N 3.38Å; S215-L217 PolarHBondContact O-N 3.13Å; S215-L217 VanDerWaalsContact O-N 3.11Å; S215-S218 PolarHBondContact O-N 3.47Å; S215-Q219 PolarHBondContact O-N 3.12Å |
| 216 | K | 50.6 | Low | 56.9 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.7 | -20.3 | 177 | -83.5 | -179 | 178.3 | -178.2 | 0 | 114.7 | L212 D214 | L212-K216 WeakPolarHBondContact O-CG 3.3Å; D214-K216 PolarHBondContact O-N 3.46Å; D214-K216 VanDerWaalsContact O-N 3.12Å |
| 217 | L | 48 | Very low | 56.4 | Low | 160 Ų | 160 | 108.5 Ų | 108.5 | 84% | 0.838 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.8 | -24.7 | 174 | -155.5 | 69 | 0 | 0 | 0 | 112.5 | D214 S215 | D214-L217 PolarHBondContact O-N 3.23Å; D214-L217 VanDerWaalsContact O-N 3.12Å; S215-L217 PolarHBondContact O-N 3.13Å; S215-L217 VanDerWaalsContact O-N 3.11Å |
| 218 | S | 56.8 | Low | 55.5 | Low | 67 Ų | 67 | 106.9 Ų | 106.9 | 47% | 0.469 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -87.8 | -32.8 | -180 | -168.3 | 0 | 0 | 0 | 0 | 113.1 | S215 A220 A221 L222 | S215-S218 PolarHBondContact O-N 3.47Å; S218-A220 PolarHBondContact O-N 3.12Å; S218-A220 VanDerWaalsContact O-N 3.09Å; S218-A221 PolarHBondContact O-N 3.11Å; S218-L222 PolarHBondContact O-N 3.09Å |
| 219 | Q | 49.2 | Very low | 54.9 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58 | -29.3 | -176.6 | -167.2 | 170.9 | 33 | 0 | 0 | 113.8 | S215 Q223 | S215-Q219 PolarHBondContact O-N 3.12Å; Q219-Q223 PolarHBondContact O-N 3.42Å |
| 220 | A | 58.1 | Low | 53.9 | Low | 65 Ų | 65 | 105.8 Ų | 105.8 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.3 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | S218 Q223 E224 | S218-A220 PolarHBondContact O-N 3.12Å; S218-A220 VanDerWaalsContact O-N 3.09Å; A220-Q223 PolarHBondContact O-N 3.01Å; A220-E224 PolarHBondContact O-N 2.93Å |
| 221 | A | 54.8 | Low | 53.2 | Low | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S218 Q223 E224 Q225 | S218-A221 PolarHBondContact O-N 3.11Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; A221-Q223 PolarHBondContact O-N 3.31Å; A221-E224 PolarHBondContact O-N 3.03Å; A221-Q225 PolarHBondContact O-N 3.45Å |
| 222 | L | 53 | Low | 52.8 | Low | 98 Ų | 98 | 108.5 Ų | 108.5 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.1 | -34.6 | 173.5 | -78.1 | 165.1 | 0 | 0 | 0 | 112.3 | S218 E224 Q225 V226 | S218-L222 PolarHBondContact O-N 3.09Å; L222-E224 VanDerWaalsContact C-N 3.3Å; L222-E224 PolarHBondContact O-N 3.46Å; L222-Q225 PolarHBondContact O-N 3.46Å; L222-V226 WeakPolarHBondContact O-CB 3.19Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 2.96Å; L222-V226 PolarHBondContact O-N 3.26Å |
| 223 | Q | 57.4 | Low | 52 | Low | 146 Ų | 146 | 111 Ų | 111 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.9 | -32 | -178.4 | -159 | 165.7 | 28.2 | 0 | 0 | 112.5 | Q219 A220 A221 Q227 | Q219-Q223 PolarHBondContact O-N 3.42Å; A220-Q223 PolarHBondContact O-N 3.01Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; A221-Q223 PolarHBondContact O-N 3.31Å; Q223-Q227 PolarHBondContact O-N 3.3Å |
| 224 | E | 57.7 | Low | 51.1 | Low | 146 Ų | 146 | 117.4 Ų | 117.4 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.5 | -42.2 | 177.4 | -154.5 | 163.2 | -139.1 | 0 | 0 | 111.7 | A220 A221 L222 Q227 C228 | A220-E224 PolarHBondContact O-N 2.93Å; A221-E224 PolarHBondContact O-N 3.03Å; L222-E224 VanDerWaalsContact C-N 3.3Å; L222-E224 PolarHBondContact O-N 3.46Å; E224-Q227 WeakPolarHBondContact O-CB 3.25Å; E224-Q227 PolarHBondContact O-N 3.44Å; E224-Q227 VanDerWaalsContact O-N 3.1Å; E224-C228 PolarHBondContact O-N 3.4Å; E224-C228 VanDerWaalsContact O-N 3.14Å |
| 225 | Q | 50.5 | Low | 50.4 | Low | 126 Ų | 126 | 116.4 Ų | 116.4 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.6 | -42 | 174.9 | -69.4 | -175.6 | -4.7 | 0 | 0 | 112.7 | A221 L222 Q227 C228 L229 | A221-Q225 PolarHBondContact O-N 3.45Å; L222-Q225 PolarHBondContact O-N 3.46Å; Q225-Q227 PolarHBondContact O-N 3.31Å; Q225-C228 PolarHBondContact O-N 3.37Å; Q225-L229 PolarHBondContact O-N 3.14Å |
| 226 | V | 51.6 | Low | 49.2 | Very low | 84 Ų | 84 | 120.5 Ų | 120.5 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.3 | -27.3 | 174.1 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | L222 K230 | L222-V226 WeakPolarHBondContact O-CB 3.19Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 2.96Å; L222-V226 PolarHBondContact O-N 3.26Å; V226-K230 WeakPolarHBondContact O-CB 3.23Å; V226-K230 PolarHBondContact O-N 3.25Å |
| 227 | Q | 61.6 | Low | 48.2 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.6 | -36.2 | 176.9 | -162.4 | 164.8 | 10.1 | 0 | 0 | 112.7 | Q223 E224 Q225 | Q223-Q227 PolarHBondContact O-N 3.3Å; E224-Q227 WeakPolarHBondContact O-CB 3.25Å; E224-Q227 PolarHBondContact O-N 3.44Å; E224-Q227 VanDerWaalsContact O-N 3.1Å; Q225-Q227 PolarHBondContact O-N 3.31Å |
| 228 | C | 52.6 | Low | 47.3 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 58% | 0.581 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.7 | -45.1 | 171 | -78.3 | 0 | 0 | 0 | 0 | 112.6 | E224 Q225 K230 A231 | E224-C228 PolarHBondContact O-N 3.4Å; E224-C228 VanDerWaalsContact O-N 3.14Å; Q225-C228 PolarHBondContact O-N 3.37Å; C228-K230 VanDerWaalsContact C-N 3.27Å; C228-K230 PolarHBondContact O-N 3.1Å; C228-A231 WeakPolarHBondContact O-CB 3.38Å; C228-A231 PolarHBondContact O-N 2.73Å |
| 229 | L | 47.2 | Very low | 46.1 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.2 | -34.5 | 178 | -71.9 | 167.4 | 0 | 0 | 0 | 112 | Q225 A231 Q232 | Q225-L229 PolarHBondContact O-N 3.14Å; L229-A231 PolarHBondContact O-N 3Å; L229-Q232 PolarHBondContact O-N 3.17Å |
| 230 | K | 45.3 | Very low | 45.1 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.7 | -19.6 | 173.9 | -116.7 | 173.3 | -179 | 169.4 | 0 | 114.7 | V226 C228 | V226-K230 WeakPolarHBondContact O-CB 3.23Å; V226-K230 PolarHBondContact O-N 3.25Å; C228-K230 VanDerWaalsContact C-N 3.27Å; C228-K230 PolarHBondContact O-N 3.1Å |
| 231 | A | 50.2 | Low | 43.7 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -84.2 | -23.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | C228 L229 | C228-A231 WeakPolarHBondContact O-CB 3.38Å; C228-A231 PolarHBondContact O-N 2.73Å; L229-A231 PolarHBondContact O-N 3Å |
| 232 | Q | 44.5 | Very low | 42.4 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -83.5 | -16.7 | -178.1 | -70.3 | 174.7 | -31.2 | 0 | 0 | 113.4 | L229 Y234 | L229-Q232 PolarHBondContact O-N 3.17Å; Q232-Y234 VanDerWaalsContact C-N 3.28Å; Q232-Y234 PolarHBondContact O-N 2.99Å |
| 233 | F | 38.7 | Very low | 41.3 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 7.5 | -179.5 | -96.6 | -87.8 | 0 | 0 | 0 | 116 | ||
| 234 | Y | 38.1 | Very low | 40 | Very low | 201 Ų | 201 | 129.4 Ų | 129.4 | 79% | 0.788 | 71% | 0.705 | S | S | * | * | trans | -122.7 | 64.5 | 179.5 | -80.1 | -75.6 | 0 | 0 | 0 | 112 | Q232 | Q232-Y234 VanDerWaalsContact C-N 3.28Å; Q232-Y234 PolarHBondContact O-N 2.99Å | ||
| 235 | S | 38.4 | Very low | 38.6 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -152.3 | 86.6 | 172.2 | -75.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 236 | N | 29.4 | Very low | 37.5 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | -70.4 | 127.2 | -169 | -70.4 | 16.5 | 0 | 0 | 0 | 114.7 | ||||
| 237 | S | 28.7 | Very low | 36.4 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | 14.4 | 128.1 | 133 | 62.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 238 | S | 30.4 | Very low | 35 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -166.9 | 128.6 | 142.2 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 239 | T | 31.5 | Very low | 34 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | 57.5 | 96.2 | 143.9 | 59.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 240 | E | 28.7 | Very low | 33.3 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | 53.8 | 130.8 | 100 | -66.6 | 173.5 | 145.5 | 0 | 0 | 124.3 | |||||
| 241 | E | 28.3 | Very low | 32.9 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | 97.2 | 141.1 | 125.7 | -91.1 | -141.6 | 138 | 0 | 0 | 126.8 | |||||
| 242 | T | 27.7 | Very low | 32.1 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 72.1 | 134.7 | 162.3 | 63.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 243 | G | 29.5 | Very low | 31.5 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -178.3 | 33 | -176.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 244 | L | 30.7 | Very low | 31.2 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 61 | 105.6 | 156.6 | -65.7 | 165.7 | 0 | 0 | 0 | 122.8 | ||||
| 245 | L | 26.4 | Very low | 31.3 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | 50.1 | 129.5 | 119 | -64.4 | 179.6 | 0 | 0 | 0 | 124.3 | |||||
| 246 | Q | 27.6 | Very low | 31.4 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | 120.2 | 144 | 116.1 | -101.8 | 172.5 | 6.8 | 0 | 0 | 121.6 | |||||
| 247 | N | 28.6 | Very low | 32 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | 69.1 | 147.3 | 170 | -68.6 | 21.5 | 0 | 0 | 0 | 117.8 | ||||
| 248 | E | 32.6 | Very low | 32.4 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | cis | -143.1 | 164.9 | 6.6 | -141.8 | 150.8 | -107.9 | 0 | 0 | 113.5 | ||||
| 249 | S | 31.2 | Very low | 32.8 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | -104.8 | 138.4 | -174.5 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 250 | S | 33.6 | Very low | 33.4 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -176 | 116.2 | 137.1 | -85.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 251 | N | 37.4 | Very low | 34 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | 174.1 | 82.9 | 130.8 | -90.1 | -22.4 | 0 | 0 | 0 | 111.9 | L253 | N251-L253 PolarHBondContact O-N 3.32Š| ||
| 252 | K | 32.8 | Very low | 34.8 | Very low | 205 Ų | 205 | 137.1 Ų | 137.1 | 89% | 0.891 | 73% | 0.729 | S | S | * | * | trans | -87.5 | 91.4 | 172.7 | -77.7 | -177.2 | 172.8 | 178.7 | 0 | 111.3 | ||||
| 253 | L | 30.8 | Very low | 35.8 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -154.7 | 31.9 | 166.3 | -148 | 71.8 | 0 | 0 | 0 | 117.6 | N251 | N251-L253 PolarHBondContact O-N 3.32Š|
| 254 | L | 33.4 | Very low | 36.5 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 65% | 0.654 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -141.3 | -5.8 | 169 | -146.6 | 67.5 | 0 | 0 | 0 | 116.2 | R256 | L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.2Å |
| 255 | V | 40 | Very low | 37.1 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 75% | 0.745 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 52.2 | -167.5 | -162.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 256 | R | 40.1 | Very low | 38.2 | Very low | 228 Ų | 228 | 133.2 Ų | 133.2 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | -4.4 | 177.2 | -126.5 | 177.5 | -171.4 | 169.2 | 2.4 | 116.4 | L254 | L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.2Å |
| 257 | T | 42.5 | Very low | 39.4 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -33.3 | 173.2 | 36 | 0 | 0 | 0 | 0 | 112.4 | N260 | T257-N260 PolarHBondContact O-N 3.01Š|
| 258 | E | 36 | Very low | 40.3 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 48% | 0.477 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.6 | -32.2 | 179.9 | -66.8 | 161.1 | 152.8 | 0 | 0 | 112.6 | N260 Y261 I262 | E258-N260 PolarHBondContact O-N 3.44Å; E258-N260 VanDerWaalsContact O-N 3.15Å; E258-Y261 WeakPolarHBondContact O-CA 3.45Å; E258-Y261 WeakPolarHBondContact O-CB 3.3Å; E258-Y261 PolarHBondContact O-N 3.37Å; E258-I262 WeakPolarHBondContact O-CG1 3.34Å; E258-I262 PolarHBondContact O-N 3.03Å |
| 259 | S | 40.7 | Very low | 41.1 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.8 | -25.4 | 178.6 | -167.7 | 0 | 0 | 0 | 0 | 113.7 | H263 | S259-H263 VanDerWaalsContact O-CB 3.31Å; S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.68Å |
| 260 | N | 43.6 | Very low | 42.5 | Very low | 123 Ų | 123 | 122 Ų | 122 | 66% | 0.658 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -90.9 | -10.6 | 175.5 | -71.4 | 11.6 | 0 | 0 | 0 | 112.7 | T257 E258 R264 | T257-N260 PolarHBondContact O-N 3.01Å; E258-N260 PolarHBondContact O-N 3.44Å; E258-N260 VanDerWaalsContact O-N 3.15Å; N260-R264 WeakPolarHBondContact O-CB 3.49Å |
| 261 | Y | 41.6 | Very low | 43.7 | Very low | 185 Ų | 185 | 119.7 Ų | 119.7 | 73% | 0.725 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -83.5 | -50.8 | 166.8 | -102.1 | -92.9 | 0 | 0 | 0 | 109.9 | E258 H263 R264 S265 | E258-Y261 WeakPolarHBondContact O-CA 3.45Å; E258-Y261 WeakPolarHBondContact O-CB 3.3Å; E258-Y261 PolarHBondContact O-N 3.37Å; Y261-H263 PolarHBondContact O-N 2.71Å; Y261-R264 PolarHBondContact O-N 3.35Å; Y261-R264 VanDerWaalsContact O-N 3.16Å; Y261-S265 PolarHBondContact O-N 3.32Å; Y261-S265 PolarHBondContact O-OG 3.22Å |
| 262 | I | 44.4 | Very low | 44.1 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -55.7 | -55.2 | 177.9 | -64.9 | 165.8 | 0 | 0 | 0 | 110.3 | E258 R264 S265 D266 | E258-I262 WeakPolarHBondContact O-CG1 3.34Å; E258-I262 PolarHBondContact O-N 3.03Å; I262-R264 PolarHBondContact O-N 3.08Å; I262-S265 CarbonylContact O-C 3.22Å; I262-S265 WeakPolarHBondContact O-CA 3.28Å; I262-S265 WeakPolarHBondContact O-CB 3.02Å; I262-S265 PolarHBondContact O-N 3.3Å; I262-D266 WeakPolarHBondContact CG2-OD2 3.31Å; I262-D266 WeakPolarHBondContact O-CB 3.45Å; I262-D266 VanDerWaalsContact O-CG 3.24Å; I262-D266 PolarHBondContact O-N 3.32Å |
| 263 | H | 48 | Very low | 45 | Very low | 133 Ų | 133 | 105.7 Ų | 105.7 | 62% | 0.616 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.2 | -21.6 | -177 | -154.6 | -33.5 | 0 | 0 | 0 | 113.6 | S259 Y261 E267 | S259-H263 VanDerWaalsContact O-CB 3.31Å; S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.68Å; Y261-H263 PolarHBondContact O-N 2.71Å; H263-E267 VanDerWaalsContact O-CB 3.3Å; H263-E267 WeakPolarHBondContact O-CB 3.21Å; H263-E267 PolarHBondContact O-N 3.42Å |
| 264 | R | 44.9 | Very low | 46.3 | Very low | 164 Ų | 164 | 101.7 Ų | 101.7 | 62% | 0.619 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -90.2 | -30.1 | 176.8 | -156.4 | 176 | -159.2 | -132.2 | 2.1 | 112.5 | N260 Y261 I262 I268 | N260-R264 WeakPolarHBondContact O-CB 3.49Å; Y261-R264 PolarHBondContact O-N 3.35Å; Y261-R264 VanDerWaalsContact O-N 3.16Å; I262-R264 PolarHBondContact O-N 3.08Å; R264-I268 WeakPolarHBondContact O-CB 3.35Å; R264-I268 WeakPolarHBondContact O-CD1 3.5Å; R264-I268 VanDerWaalsContact O-CG1 3.22Å; R264-I268 WeakPolarHBondContact O-CG1 3.49Å; R264-I268 PolarHBondContact O-N 3.41Å |
| 265 | S | 42.8 | Very low | 46.9 | Very low | 56 Ų | 56 | 97.5 Ų | 97.5 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 162.9 | -69.4 | 0 | 0 | 0 | 0 | 110.1 | Y261 I262 E267 I268 I269 | Y261-S265 PolarHBondContact O-N 3.32Å; Y261-S265 PolarHBondContact O-OG 3.22Å; I262-S265 CarbonylContact O-C 3.22Å; I262-S265 WeakPolarHBondContact O-CA 3.28Å; I262-S265 WeakPolarHBondContact O-CB 3.02Å; I262-S265 PolarHBondContact O-N 3.3Å; S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.2Å; S265-I268 CarbonylContact O-C 3.49Å; S265-I268 WeakPolarHBondContact O-CA 3.31Å; S265-I268 PolarHBondContact O-N 3.13Å; S265-I269 WeakPolarHBondContact O-CB 3.41Å; S265-I269 WeakPolarHBondContact O-CD1 3.19Å; S265-I269 WeakPolarHBondContact O-CG1 3.37Å; S265-I269 PolarHBondContact O-N 3.37Å |
| 266 | D | 49.2 | Very low | 47.4 | Very low | 69 Ų | 69 | 92.2 Ų | 92.2 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 175 | -65.1 | -25.8 | 0 | 0 | 0 | 112.1 | I262 I269 N270 | I262-D266 WeakPolarHBondContact CG2-OD2 3.31Å; I262-D266 WeakPolarHBondContact O-CB 3.45Å; I262-D266 VanDerWaalsContact O-CG 3.24Å; I262-D266 PolarHBondContact O-N 3.32Å; D266-I269 PolarHBondContact O-N 2.96Å; D266-I269 VanDerWaalsContact O-N 3.14Å; D266-N270 PolarHBondContact O-N 2.99Å; D266-N270 PolarHBondContact O-ND2 3.32Å |
| 267 | E | 52.9 | Low | 48.2 | Very low | 122 Ų | 122 | 86.2 Ų | 86.2 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.5 | -48.7 | 172.5 | -171.1 | 169.7 | -117.1 | 0 | 0 | 110.3 | H263 S265 I269 N270 K271 | H263-E267 VanDerWaalsContact O-CB 3.3Å; H263-E267 WeakPolarHBondContact O-CB 3.21Å; H263-E267 PolarHBondContact O-N 3.42Å; S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.2Å; E267-I269 PolarHBondContact O-N 3.22Å; E267-N270 PolarHBondContact O-N 3.45Å; E267-K271 WeakPolarHBondContact O-CA 3.26Å; E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 PolarHBondContact O-N 2.92Å |
| 268 | I | 48.9 | Very low | 48.7 | Very low | 60 Ų | 60 | 84.3 Ų | 84.3 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.7 | 1 | 170.5 | -65.4 | 164.5 | 0 | 0 | 0 | 112.9 | R264 S265 K271 T272 Q525 | R264-I268 WeakPolarHBondContact O-CB 3.35Å; R264-I268 WeakPolarHBondContact O-CD1 3.5Å; R264-I268 VanDerWaalsContact O-CG1 3.22Å; R264-I268 WeakPolarHBondContact O-CG1 3.49Å; R264-I268 PolarHBondContact O-N 3.41Å; S265-I268 CarbonylContact O-C 3.49Å; S265-I268 WeakPolarHBondContact O-CA 3.31Å; S265-I268 PolarHBondContact O-N 3.13Å; I268-K271 VanDerWaalsContact C-C 3.48Å; I268-K271 CarbonylContact C-O 3.29Å; I268-K271 CarbonylContact O-C 3.59Å; I268-T272 PolarHBondContact O-OG1 2.86Å; I268-Q525 HydrophobicContact CG2-CG 4.39Å |
| 269 | I | 49.3 | Very low | 49.4 | Very low | 45 Ų | 45 | 83 Ų | 83 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -110.2 | -31.2 | 179.7 | -81.1 | 171.4 | 0 | 0 | 0 | 110.6 | S265 D266 E267 T272 N273 V526 | S265-I269 WeakPolarHBondContact O-CB 3.41Å; S265-I269 WeakPolarHBondContact O-CD1 3.19Å; S265-I269 WeakPolarHBondContact O-CG1 3.37Å; S265-I269 PolarHBondContact O-N 3.37Å; D266-I269 PolarHBondContact O-N 2.96Å; D266-I269 VanDerWaalsContact O-N 3.14Å; E267-I269 PolarHBondContact O-N 3.22Å; I269-T272 CarbonylContact O-C 3.6Å; I269-T272 WeakPolarHBondContact O-CA 3.19Å; I269-T272 PolarHBondContact O-N 3.28Å; I269-N273 PolarHBondContact O-N 2.81Å; I269-V526 VanDerWaalsContact CA-CG2 3.4Å; I269-V526 HydrophobicContact CB-CG2 3.64Å; I269-V526 HydrophobicContact CG1-CG2 3.71Å; I269-V526 HydrophobicContact CG2-CG2 3.54Å; I269-V526 WeakPolarHBondContact O-CG2 3.42Å |
| 270 | N | 60.2 | Low | 50.4 | Low | 110 Ų | 110 | 84.8 Ų | 84.8 | 59% | 0.588 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -79.8 | -48.9 | 164.8 | -65.4 | -72.7 | 0 | 0 | 0 | 109.7 | D266 E267 T272 N273 N522 | D266-N270 PolarHBondContact O-N 2.99Å; D266-N270 PolarHBondContact O-ND2 3.32Å; E267-N270 PolarHBondContact O-N 3.45Å; N270-T272 PolarHBondContact O-N 3.43Å; N270-N273 PolarHBondContact O-N 2.82Å; N270-N522 WeakPolarHBondContact O-CB 3.18Å |
| 271 | K | 58 | Low | 51.6 | Low | 60 Ų | 60 | 81.3 Ų | 81.3 | 26% | 0.261 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | -3.4 | 11.9 | 118.1 | -169.8 | -172.8 | -71.2 | -179 | 0 | 122.4 | E267 I268 E518 Y521 N522 | E267-K271 WeakPolarHBondContact O-CA 3.26Å; E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 PolarHBondContact O-N 2.92Å; I268-K271 VanDerWaalsContact C-C 3.48Å; I268-K271 CarbonylContact C-O 3.29Å; I268-K271 CarbonylContact O-C 3.59Å; K271-E518 VanDerWaalsContact CE-CG 3.44Å; K271-E518 IonicContact NZ-OE1 3.74Å; K271-E518 PolarHBondContact NZ-OE1 3.28Å; K271-Y521 HydrophobicContact CD-CD1 3.97Å; K271-Y521 HydrophobicContact CD-CE1 4.39Å; K271-Y521 HydrophobicContact CG-CD1 3.97Å; K271-Y521 HydrophobicContact CG-CE1 4.32Å; K271-N522 HydrophobicContact CB-CB 4.19Å; K271-N522 VanDerWaalsContact CB-CG 3.46Å; K271-N522 WeakPolarHBondContact CB-OD1 3.43Å; K271-N522 WeakPolarHBondContact CE-OD1 3.4Å; K271-N522 WeakPolarHBondContact CG-OD1 3.18Å | |
| 272 | T | 46.9 | Very low | 52.4 | Low | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 172.1 | -9.6 | -139.3 | 97.5 | 0 | 0 | 0 | 0 | 115.8 | I268 I269 N270 Y521 N522 E523 Q525 V526 | I268-T272 PolarHBondContact O-OG1 2.86Å; I269-T272 CarbonylContact O-C 3.6Å; I269-T272 WeakPolarHBondContact O-CA 3.19Å; I269-T272 PolarHBondContact O-N 3.28Å; N270-T272 PolarHBondContact O-N 3.43Å; T272-Y521 WeakPolarHBondContact CG2-O 3.42Å; T272-N522 CarbonylContact C-O 3.54Å; T272-N522 VanDerWaalsContact CA-C 3.43Å; T272-N522 VanDerWaalsContact CA-O 3.24Å; T272-N522 WeakPolarHBondContact CA-O 3.26Å; T272-N522 PolarHBondContact N-O 3.48Å; T272-E523 CarbonylContact O-C 3.05Å; T272-E523 WeakPolarHBondContact O-CA 3.41Å; T272-E523 VanDerWaalsContact O-O 3.11Å; T272-Q525 HydrophobicContact CG2-CB 3.54Å; T272-Q525 HydrophobicContact CG2-CG 4.39Å; T272-Q525 VanDerWaalsContact CG2-N 3.34Å; T272-Q525 WeakPolarHBondContact OG1-CA 3.29Å; T272-Q525 WeakPolarHBondContact OG1-CB 3.27Å; T272-Q525 WeakPolarHBondContact OG1-CG 3.08Å; T272-Q525 PolarHBondContact OG1-O 3.49Å; T272-V526 VanDerWaalsContact O-CA 3.31Å; T272-V526 WeakPolarHBondContact O-CA 3.14Å; T272-V526 WeakPolarHBondContact O-CB 3.49Å; T272-V526 VanDerWaalsContact O-CG2 3.3Å; T272-V526 WeakPolarHBondContact O-CG2 3.37Å; T272-V526 PolarHBondContact O-N 2.94Å; T272-V526 PolarHBondContact OG1-N 3.3Å |
| 273 | N | 50.9 | Low | 53.4 | Low | 77 Ų | 77 | 74.7 Ų | 74.7 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -127 | 19.4 | 171 | -103.2 | -24.2 | 0 | 0 | 0 | 123.1 | I269 N270 N277 N522 E523 | I269-N273 PolarHBondContact O-N 2.81Å; N270-N273 PolarHBondContact O-N 2.82Å; N273-N277 PolarHBondContact O-ND2 2.75Å; N273-N522 CarbonylContact C-O 3.56Å; N273-N522 VanDerWaalsContact CA-O 3.31Å; N273-N522 WeakPolarHBondContact CA-O 3.3Å; N273-N522 PolarHBondContact N-O 2.88Å; N273-E523 VanDerWaalsContact C-CD 3.48Å; N273-E523 VanDerWaalsContact C-OE2 3.27Å; N273-E523 VanDerWaalsContact O-OE2 3.13Å |
| 274 | E | 58.9 | Low | 54.2 | Low | 81 Ų | 81 | 70.5 Ų | 70.5 | 38% | 0.379 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -118 | -29.9 | 175.3 | -65.6 | 148.2 | 147.7 | 0 | 0 | 120.3 | S276 E278 L519 N522 E523 | E274-S276 VanDerWaalsContact C-N 3.31Å; E274-S276 PolarHBondContact O-N 3.38Å; E274-S276 VanDerWaalsContact O-N 3.16Å; E274-E278 PolarHBondContact O-N 3.47Å; E274-L519 CarbonylContact C-O 3.59Å; E274-L519 WeakPolarHBondContact CA-O 3.11Å; E274-L519 HydrophobicContact CB-CB 4.07Å; E274-L519 WeakPolarHBondContact CB-O 3.18Å; E274-L519 VanDerWaalsContact CD-CD2 3.43Å; E274-L519 WeakPolarHBondContact OE1-CD2 3.25Å; E274-L519 WeakPolarHBondContact OE2-CD2 3.47Å; E274-N522 HydrophobicContact CB-CB 4.32Å; E274-N522 PolarHBondContact N-O 2.92Å; E274-N522 PolarHBondContact OE2-ND2 3.27Å; E274-E523 WeakPolarHBondContact CA-OE2 3.5Å; E274-E523 VanDerWaalsContact N-CB 3.34Å; E274-E523 PolarHBondContact N-OE2 3.42Å |
| 275 | Q | 44.5 | Very low | 55.1 | Low | 37 Ų | 37 | 67.4 Ų | 67.4 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -45.6 | -37 | 171.7 | -134.3 | 148.4 | 7.7 | 0 | 0 | 117.2 | E278 I279 L519 K520 Y521 E523 V524 | Q275-E278 CarbonylContact O-C 3.55Å; Q275-E278 VanDerWaalsContact O-C 3.29Å; Q275-E278 WeakPolarHBondContact O-CA 3.35Å; Q275-E278 PolarHBondContact O-N 2.82Å; Q275-I279 HydrophobicContact CB-CD1 4.41Å; Q275-I279 HydrophobicContact CG-CD1 3.8Å; Q275-I279 HydrophobicContact CG-CG1 4.38Å; Q275-I279 WeakPolarHBondContact O-CB 3.29Å; Q275-I279 VanDerWaalsContact O-CG1 3.26Å; Q275-I279 WeakPolarHBondContact O-CG1 3.34Å; Q275-I279 PolarHBondContact O-N 3.17Å; Q275-L519 PolarHBondContact N-O 3.39Å; Q275-K520 WeakPolarHBondContact CA-O 3.41Å; Q275-K520 HydrophobicContact CB-CG 4.41Å; Q275-K520 WeakPolarHBondContact CB-O 3.36Å; Q275-K520 HydrophobicContact CG-CB 4.02Å; Q275-K520 HydrophobicContact CG-CG 3.82Å; Q275-K520 WeakPolarHBondContact CG-O 2.86Å; Q275-K520 PolarHBondContact N-O 3.04Å; Q275-K520 VanDerWaalsContact N-O 3.08Å; Q275-K520 PolarHBondContact OE1-O 2.71Å; Q275-Y521 PolarHBondContact OE1-O 2.91Å; Q275-Y521 VanDerWaalsContact OE1-O 3.09Å; Q275-E523 VanDerWaalsContact CA-CB 3.49Å; Q275-E523 HydrophobicContact CB-CB 3.39Å; Q275-E523 PolarHBondContact N-OE2 2.95Å; Q275-V524 HydrophobicContact CB-CG2 4.11Å; Q275-V524 HydrophobicContact CG-CG2 3.95Å |
| 276 | S | 51.5 | Low | 56 | Low | 13 Ų | 13 | 69.6 Ų | 69.6 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -105.6 | -21 | -159.7 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | E274 K280 E523 Q527 | E274-S276 VanDerWaalsContact C-N 3.31Å; E274-S276 PolarHBondContact O-N 3.38Å; E274-S276 VanDerWaalsContact O-N 3.16Å; S276-K280 WeakPolarHBondContact O-CA 3.35Å; S276-K280 WeakPolarHBondContact O-CB 3.41Å; S276-K280 WeakPolarHBondContact O-CD 3.06Å; S276-K280 WeakPolarHBondContact O-CE 3.49Å; S276-K280 WeakPolarHBondContact O-CG 3.44Å; S276-K280 PolarHBondContact O-N 2.86Å; S276-K280 WeakPolarHBondContact OG-CE 3.5Å; S276-E523 WeakPolarHBondContact CA-OE2 3.45Å; S276-E523 VanDerWaalsContact CB-CG 3.47Å; S276-E523 WeakPolarHBondContact CB-OE1 3.3Å; S276-E523 VanDerWaalsContact N-CD 3.25Å; S276-E523 PolarHBondContact N-OE2 3.38Å; S276-Q527 PolarHBondContact OG-OE1 2.73Å |
| 277 | N | 56 | Low | 56.9 | Low | 101 Ų | 101 | 72.6 Ų | 72.6 | 54% | 0.54 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.8 | -43 | 146.5 | -66.1 | -69 | 0 | 0 | 0 | 110.6 | N273 S281 E523 | N273-N277 PolarHBondContact O-ND2 2.75Å; N277-S281 WeakPolarHBondContact O-CB 3.35Å; N277-S281 PolarHBondContact O-N 3.22Å; N277-E523 PolarHBondContact N-OE1 3.02Å; N277-E523 PolarHBondContact N-OE2 3.37Å; N277-E523 PolarHBondContact ND2-OE1 3.47Å; N277-E523 PolarHBondContact ND2-OE2 3.4Å |
| 278 | E | 53.6 | Low | 57.8 | Low | 62 Ų | 62 | 72.5 Ų | 72.5 | 29% | 0.29 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -79.1 | -25.5 | 176.6 | -90.7 | -130.6 | 86.9 | 0 | 0 | 115.9 | E274 Q275 S281 L282 K520 | E274-E278 PolarHBondContact O-N 3.47Å; Q275-E278 CarbonylContact O-C 3.55Å; Q275-E278 VanDerWaalsContact O-C 3.29Å; Q275-E278 WeakPolarHBondContact O-CA 3.35Å; Q275-E278 PolarHBondContact O-N 2.82Å; E278-S281 WeakPolarHBondContact O-CB 3.45Å; E278-S281 PolarHBondContact O-N 3.23Å; E278-L282 WeakPolarHBondContact O-CB 3.18Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 2.86Å; E278-K520 HydrophobicContact CB-CD 4.44Å; E278-K520 HydrophobicContact CB-CG 3.78Å; E278-K520 IonicContact OE1-NZ 3.24Å; E278-K520 PolarHBondContact OE1-NZ 3.3Å; E278-K520 WeakPolarHBondContact OE2-CG 3.41Å; E278-K520 IonicContact OE2-NZ 2.69Å; E278-K520 PolarHBondContact OE2-NZ 3.41Å |
| 279 | I | 50.7 | Low | 58.7 | Low | 75 Ų | 75 | 74.6 Ų | 74.6 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -80.9 | -34.3 | 171.8 | -75 | 167.3 | 0 | 0 | 0 | 109.2 | Q275 S281 L282 S283 V524 | Q275-I279 HydrophobicContact CB-CD1 4.41Å; Q275-I279 HydrophobicContact CG-CD1 3.8Å; Q275-I279 HydrophobicContact CG-CG1 4.38Å; Q275-I279 WeakPolarHBondContact O-CB 3.29Å; Q275-I279 VanDerWaalsContact O-CG1 3.26Å; Q275-I279 WeakPolarHBondContact O-CG1 3.34Å; Q275-I279 PolarHBondContact O-N 3.17Å; I279-S281 VanDerWaalsContact C-N 3.28Å; I279-L282 PolarHBondContact O-N 3.19Å; I279-S283 WeakPolarHBondContact O-CA 3.26Å; I279-S283 WeakPolarHBondContact O-CB 3.17Å; I279-S283 PolarHBondContact O-N 2.95Å; I279-V524 HydrophobicContact CD1-CG2 3.89Å |
| 280 | K | 62.3 | Low | 59.5 | Low | 106 Ų | 106 | 77 Ų | 77 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 165.5 | -68.8 | 157.8 | -156.3 | 155.1 | 0 | 110.4 | S276 C284 E523 | S276-K280 WeakPolarHBondContact O-CA 3.35Å; S276-K280 WeakPolarHBondContact O-CB 3.41Å; S276-K280 WeakPolarHBondContact O-CD 3.06Å; S276-K280 WeakPolarHBondContact O-CE 3.49Å; S276-K280 WeakPolarHBondContact O-CG 3.44Å; S276-K280 PolarHBondContact O-N 2.86Å; S276-K280 WeakPolarHBondContact OG-CE 3.5Å; K280-C284 WeakPolarHBondContact O-CB 3.41Å; K280-C284 PolarHBondContact O-N 2.7Å; K280-E523 IonicContact NZ-OE1 2.61Å |
| 281 | S | 67.5 | Low | 60.2 | Low | 49 Ų | 49 | 77.2 Ų | 77.2 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 171.2 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | N277 E278 I279 C284 Q285 | N277-S281 WeakPolarHBondContact O-CB 3.35Å; N277-S281 PolarHBondContact O-N 3.22Å; E278-S281 WeakPolarHBondContact O-CB 3.45Å; E278-S281 PolarHBondContact O-N 3.23Å; I279-S281 VanDerWaalsContact C-N 3.28Å; S281-C284 PolarHBondContact O-N 2.74Å; S281-Q285 VanDerWaalsContact O-CG 3.29Å; S281-Q285 WeakPolarHBondContact O-CG 3.49Å; S281-Q285 PolarHBondContact O-N 3.49Å; S281-Q285 PolarHBondContact O-NE2 2.87Å; S281-Q285 PolarHBondContact OG-NE2 3.25Å |
| 282 | L | 59.4 | Low | 60.8 | Low | 78 Ų | 78 | 80.9 Ų | 80.9 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 177.7 | -75.4 | 176 | 0 | 0 | 0 | 112.5 | E278 I279 Q285 L286 K520 | E278-L282 WeakPolarHBondContact O-CB 3.18Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 2.86Å; I279-L282 PolarHBondContact O-N 3.19Å; L282-Q285 CarbonylContact O-C 3.45Å; L282-Q285 WeakPolarHBondContact O-CA 3.15Å; L282-Q285 WeakPolarHBondContact O-CB 3.31Å; L282-Q285 PolarHBondContact O-N 2.89Å; L282-Q285 VanDerWaalsContact O-N 3.1Å; L282-L286 WeakPolarHBondContact O-CB 3.37Å; L282-L286 PolarHBondContact O-N 3.35Å; L282-K520 VanDerWaalsContact CD1-CE 3.44Å |
| 283 | S | 65.7 | Low | 61.8 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | I279 Q285 L286 E287 | I279-S283 WeakPolarHBondContact O-CA 3.26Å; I279-S283 WeakPolarHBondContact O-CB 3.17Å; I279-S283 PolarHBondContact O-N 2.95Å; S283-Q285 PolarHBondContact O-N 3.43Å; S283-L286 PolarHBondContact O-N 3.41Å; S283-E287 WeakPolarHBondContact O-CB 3.49Å; S283-E287 PolarHBondContact O-N 3.02Å |
| 284 | C | 64.2 | Low | 62.5 | Low | 45 Ų | 45 | 85 Ų | 85 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.7 | -13.8 | 173.4 | -165.5 | 0 | 0 | 0 | 0 | 113.3 | K280 S281 K288 | K280-C284 WeakPolarHBondContact O-CB 3.41Å; K280-C284 PolarHBondContact O-N 2.7Å; S281-C284 PolarHBondContact O-N 2.74Å; C284-K288 WeakPolarHBondContact O-CD 3.24Å; C284-K288 WeakPolarHBondContact O-CE 3.2Å; C284-K288 WeakPolarHBondContact O-CG 3.22Å; C284-K288 PolarHBondContact O-NZ 2.77Å; C284-K288 PolarHBondContact SG-NZ 3.35Å |
| 285 | Q | 63.6 | Low | 63.2 | Low | 99 Ų | 99 | 85.1 Ų | 85.1 | 46% | 0.463 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -86.7 | -40.5 | 168.3 | -75.3 | 175.1 | 75 | 0 | 0 | 111.6 | S281 L282 S283 K288 L289 | S281-Q285 VanDerWaalsContact O-CG 3.29Å; S281-Q285 WeakPolarHBondContact O-CG 3.49Å; S281-Q285 PolarHBondContact O-N 3.49Å; S281-Q285 PolarHBondContact O-NE2 2.87Å; S281-Q285 PolarHBondContact OG-NE2 3.25Å; L282-Q285 CarbonylContact O-C 3.45Å; L282-Q285 WeakPolarHBondContact O-CA 3.15Å; L282-Q285 WeakPolarHBondContact O-CB 3.31Å; L282-Q285 PolarHBondContact O-N 2.89Å; L282-Q285 VanDerWaalsContact O-N 3.1Å; S283-Q285 PolarHBondContact O-N 3.43Å; Q285-K288 CarbonylContact O-C 3.59Å; Q285-K288 PolarHBondContact O-N 3.15Å; Q285-L289 WeakPolarHBondContact O-CG 3.37Å; Q285-L289 PolarHBondContact O-N 2.73Å |
| 286 | L | 62.1 | Low | 64.2 | Low | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 171.1 | -96.4 | 161.8 | 0 | 0 | 0 | 111.6 | L282 S283 K288 L289 N290 | L282-L286 WeakPolarHBondContact O-CB 3.37Å; L282-L286 PolarHBondContact O-N 3.35Å; S283-L286 PolarHBondContact O-N 3.41Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.88Å; L286-L289 CarbonylContact O-C 3.58Å; L286-L289 PolarHBondContact O-N 2.84Å; L286-L289 VanDerWaalsContact O-N 3.08Å; L286-N290 WeakPolarHBondContact O-CB 3.48Å; L286-N290 PolarHBondContact O-N 2.69Å |
| 287 | E | 66.8 | Low | 65.2 | Low | 133 Ų | 133 | 88.9 Ų | 88.9 | 62% | 0.621 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.9 | -41.3 | 174.9 | -171.8 | 177.8 | -142.6 | 0 | 0 | 111.5 | S283 L289 N290 Q291 | S283-E287 WeakPolarHBondContact O-CB 3.49Å; S283-E287 PolarHBondContact O-N 3.02Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.88Å; E287-N290 PolarHBondContact O-N 3.07Å; E287-Q291 WeakPolarHBondContact O-CB 3.33Å; E287-Q291 PolarHBondContact O-N 2.99Å |
| 288 | K | 72.8 | Confident | 66 | Low | 120 Ų | 120 | 89.4 Ų | 89.4 | 52% | 0.522 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.9 | -24.2 | 174 | -73.7 | 170.5 | -168.1 | 133.3 | 0 | 114.1 | C284 Q285 L286 K292 | C284-K288 WeakPolarHBondContact O-CD 3.24Å; C284-K288 WeakPolarHBondContact O-CE 3.2Å; C284-K288 WeakPolarHBondContact O-CG 3.22Å; C284-K288 PolarHBondContact O-NZ 2.77Å; C284-K288 PolarHBondContact SG-NZ 3.35Å; Q285-K288 CarbonylContact O-C 3.59Å; Q285-K288 PolarHBondContact O-N 3.15Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.88Å; K288-K292 WeakPolarHBondContact O-CD 3.42Å; K288-K292 VanDerWaalsContact O-CG 3.27Å; K288-K292 WeakPolarHBondContact O-CG 3.49Å; K288-K292 PolarHBondContact O-N 3.01Å |
| 289 | L | 68.5 | Low | 67 | Low | 103 Ų | 103 | 90.3 Ų | 90.3 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -80.6 | -43.5 | 173.2 | -76.5 | 168 | 0 | 0 | 0 | 110.7 | Q285 L286 E287 Q291 K292 L293 | Q285-L289 WeakPolarHBondContact O-CG 3.37Å; Q285-L289 PolarHBondContact O-N 2.73Å; L286-L289 CarbonylContact O-C 3.58Å; L286-L289 PolarHBondContact O-N 2.84Å; L286-L289 VanDerWaalsContact O-N 3.08Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.88Å; L289-Q291 PolarHBondContact O-N 3.35Å; L289-K292 CarbonylContact O-C 3.6Å; L289-K292 WeakPolarHBondContact O-CB 3.31Å; L289-K292 PolarHBondContact O-N 3.33Å; L289-K292 VanDerWaalsContact O-N 3.17Å; L289-L293 WeakPolarHBondContact O-CB 3.25Å; L289-L293 PolarHBondContact O-N 2.97Å |
| 290 | N | 66.2 | Low | 68.2 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.8 | -71.1 | -8 | 0 | 0 | 0 | 111.7 | L286 E287 K292 L293 A294 | L286-N290 WeakPolarHBondContact O-CB 3.48Å; L286-N290 PolarHBondContact O-N 2.69Å; E287-N290 PolarHBondContact O-N 3.07Å; N290-K292 PolarHBondContact O-N 3.32Å; N290-L293 PolarHBondContact O-N 3.29Å; N290-A294 PolarHBondContact O-N 3.16Å |
| 291 | Q | 73.1 | Confident | 68.9 | Low | 113 Ų | 113 | 92.1 Ų | 92.1 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 171.9 | -174.8 | 61.7 | 60.2 | 0 | 0 | 111.5 | E287 L289 L293 A294 D295 | E287-Q291 WeakPolarHBondContact O-CB 3.33Å; E287-Q291 PolarHBondContact O-N 2.99Å; L289-Q291 PolarHBondContact O-N 3.35Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.08Å; Q291-A294 PolarHBondContact O-N 2.9Å; Q291-D295 PolarHBondContact NE2-OD1 3.23Å; Q291-D295 WeakPolarHBondContact O-CB 3.25Å; Q291-D295 PolarHBondContact O-N 3.35Å |
| 292 | K | 71 | Confident | 69.4 | Low | 137 Ų | 137 | 96.1 Ų | 96.1 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -31.2 | 175.1 | -75.5 | 173.1 | -179.2 | 179 | 0 | 113.1 | K288 L289 N290 S296 | K288-K292 WeakPolarHBondContact O-CD 3.42Å; K288-K292 VanDerWaalsContact O-CG 3.27Å; K288-K292 WeakPolarHBondContact O-CG 3.49Å; K288-K292 PolarHBondContact O-N 3.01Å; L289-K292 CarbonylContact O-C 3.6Å; L289-K292 WeakPolarHBondContact O-CB 3.31Å; L289-K292 PolarHBondContact O-N 3.33Å; L289-K292 VanDerWaalsContact O-N 3.17Å; N290-K292 PolarHBondContact O-N 3.32Å; K292-S296 VanDerWaalsContact O-CB 3.29Å; K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.81Å |
| 293 | L | 68.8 | Low | 70 | Confident | 113 Ų | 113 | 96.6 Ų | 96.6 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.9 | -42.5 | 175.8 | -167.7 | 68.1 | 0 | 0 | 0 | 110.6 | L289 N290 Q291 S296 E297 | L289-L293 WeakPolarHBondContact O-CB 3.25Å; L289-L293 PolarHBondContact O-N 2.97Å; N290-L293 PolarHBondContact O-N 3.29Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.08Å; L293-S296 WeakPolarHBondContact O-CB 3.33Å; L293-S296 PolarHBondContact O-N 3.13Å; L293-E297 PolarHBondContact O-N 3.21Å |
| 294 | A | 66.3 | Low | 70.4 | Confident | 53 Ų | 53 | 97.7 Ų | 97.7 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N290 Q291 S296 E297 D298 | N290-A294 PolarHBondContact O-N 3.16Å; Q291-A294 PolarHBondContact O-N 2.9Å; A294-S296 PolarHBondContact O-N 2.71Å; A294-E297 PolarHBondContact O-N 3.46Å; A294-E297 VanDerWaalsContact O-N 3.12Å; A294-D298 PolarHBondContact O-N 3.44Å |
| 295 | D | 71.9 | Confident | 71.1 | Confident | 82 Ų | 82 | 102 Ų | 102 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.8 | -37.5 | 174.4 | -63.8 | -9.8 | 0 | 0 | 0 | 111.6 | Q291 I299 | Q291-D295 PolarHBondContact NE2-OD1 3.23Å; Q291-D295 WeakPolarHBondContact O-CB 3.25Å; Q291-D295 PolarHBondContact O-N 3.35Å; D295-I299 WeakPolarHBondContact O-CD1 3.43Å; D295-I299 VanDerWaalsContact O-CG1 3.25Å; D295-I299 WeakPolarHBondContact O-CG1 3.11Å; D295-I299 PolarHBondContact O-N 2.98Å |
| 296 | S | 66.8 | Low | 71.6 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.6 | -36.2 | 176.9 | -175.4 | 0 | 0 | 0 | 0 | 113 | K292 L293 A294 I299 R300 | K292-S296 VanDerWaalsContact O-CB 3.29Å; K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.81Å; L293-S296 WeakPolarHBondContact O-CB 3.33Å; L293-S296 PolarHBondContact O-N 3.13Å; A294-S296 PolarHBondContact O-N 2.71Å; S296-I299 PolarHBondContact O-N 3.27Å; S296-R300 PolarHBondContact O-N 3.36Å |
| 297 | E | 72.2 | Confident | 72.1 | Confident | 72 Ų | 72 | 99.9 Ų | 99.9 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.8 | -38.5 | 179.2 | -162.2 | 56.6 | -136.2 | 0 | 0 | 111.2 | L293 A294 I299 R300 I301 | L293-E297 PolarHBondContact O-N 3.21Å; A294-E297 PolarHBondContact O-N 3.46Å; A294-E297 VanDerWaalsContact O-N 3.12Å; E297-I299 VanDerWaalsContact C-N 3.26Å; E297-I299 PolarHBondContact O-N 3.02Å; E297-R300 WeakPolarHBondContact O-CA 3.41Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.97Å; E297-R300 VanDerWaalsContact OE1-CD 3.28Å; E297-R300 WeakPolarHBondContact OE1-CD 3.31Å; E297-R300 IonicContact OE1-CZ 2.63Å; E297-R300 IonicContact OE1-NE 3Å; E297-R300 PolarHBondContact OE1-NE 3.33Å; E297-R300 IonicContact OE1-NH2 3.85Å; E297-R300 IonicContact OE2-CZ 3.33Å; E297-R300 VanDerWaalsContact OE2-CZ 3.24Å; E297-R300 IonicContact OE2-NE 3.65Å; E297-R300 PolarHBondContact OE2-NE 3.03Å; E297-R300 IonicContact OE2-NH2 3.95Å; E297-R300 PolarHBondContact OE2-NH2 3.27Å; E297-I301 HydrophobicContact CG-CD1 4.32Å; E297-I301 WeakPolarHBondContact O-CG1 3.4Å; E297-I301 PolarHBondContact O-N 3.49Å |
| 298 | D | 72.4 | Confident | 72.4 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.2 | -32.7 | 174.1 | -150.6 | 47.1 | 0 | 0 | 0 | 111.4 | A294 R302 | A294-D298 PolarHBondContact O-N 3.44Å; D298-R302 WeakPolarHBondContact O-CB 3.39Å; D298-R302 PolarHBondContact O-N 3.27Å |
| 299 | I | 75.3 | Confident | 72.5 | Confident | 81 Ų | 81 | 97 Ų | 97 | 42% | 0.415 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 167.8 | -71.5 | 166.3 | 0 | 0 | 0 | 111.8 | D295 S296 E297 R302 L303 | D295-I299 WeakPolarHBondContact O-CD1 3.43Å; D295-I299 VanDerWaalsContact O-CG1 3.25Å; D295-I299 WeakPolarHBondContact O-CG1 3.11Å; D295-I299 PolarHBondContact O-N 2.98Å; S296-I299 PolarHBondContact O-N 3.27Å; E297-I299 VanDerWaalsContact C-N 3.26Å; E297-I299 PolarHBondContact O-N 3.02Å; I299-R302 PolarHBondContact O-N 3.17Å; I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.44Å; I299-L303 WeakPolarHBondContact O-CB 3.35Å; I299-L303 WeakPolarHBondContact O-CG 3.24Å; I299-L303 PolarHBondContact O-N 3.07Å |
| 300 | R | 76.3 | Confident | 72.5 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 177.3 | -161.8 | -156.8 | -49.3 | -90.5 | -0.9 | 110.9 | S296 E297 R302 L303 D304 | S296-R300 PolarHBondContact O-N 3.36Å; E297-R300 WeakPolarHBondContact O-CA 3.41Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.97Å; E297-R300 VanDerWaalsContact OE1-CD 3.28Å; E297-R300 WeakPolarHBondContact OE1-CD 3.31Å; E297-R300 IonicContact OE1-CZ 2.63Å; E297-R300 IonicContact OE1-NE 3Å; E297-R300 PolarHBondContact OE1-NE 3.33Å; E297-R300 IonicContact OE1-NH2 3.85Å; E297-R300 IonicContact OE2-CZ 3.33Å; E297-R300 VanDerWaalsContact OE2-CZ 3.24Å; E297-R300 IonicContact OE2-NE 3.65Å; E297-R300 PolarHBondContact OE2-NE 3.03Å; E297-R300 IonicContact OE2-NH2 3.95Å; E297-R300 PolarHBondContact OE2-NH2 3.27Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.44Å; R300-L303 PolarHBondContact O-N 3.29Å; R300-D304 PolarHBondContact O-N 3.16Å |
| 301 | I | 76 | Confident | 72.6 | Confident | 102 Ų | 102 | 99.9 Ų | 99.9 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 178.3 | -67.1 | 166.8 | 0 | 0 | 0 | 110.8 | E297 K305 | E297-I301 HydrophobicContact CG-CD1 4.32Å; E297-I301 WeakPolarHBondContact O-CG1 3.4Å; E297-I301 PolarHBondContact O-N 3.49Å; I301-K305 WeakPolarHBondContact O-CB 3.39Å; I301-K305 PolarHBondContact O-N 3.45Å |
| 302 | R | 78.6 | Confident | 72.4 | Confident | 133 Ų | 133 | 98.3 Ų | 98.3 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 176.1 | -161.4 | 178.8 | 74.5 | -119.1 | -1.3 | 112.5 | D298 I299 R300 K305 E306 | D298-R302 WeakPolarHBondContact O-CB 3.39Å; D298-R302 PolarHBondContact O-N 3.27Å; I299-R302 PolarHBondContact O-N 3.17Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.44Å; R302-K305 WeakPolarHBondContact O-CB 3.18Å; R302-K305 PolarHBondContact O-N 3.03Å; R302-E306 IonicContact NE-OE1 2.64Å; R302-E306 PolarHBondContact NE-OE1 3.12Å; R302-E306 WeakPolarHBondContact O-CG 3.31Å; R302-E306 PolarHBondContact O-N 3.43Å |
| 303 | L | 71.8 | Confident | 72.1 | Confident | 88 Ų | 88 | 94.4 Ų | 94.4 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.5 | -76.8 | 170 | 0 | 0 | 0 | 112.2 | I299 R300 K305 E306 V307 | I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.44Å; I299-L303 WeakPolarHBondContact O-CB 3.35Å; I299-L303 WeakPolarHBondContact O-CG 3.24Å; I299-L303 PolarHBondContact O-N 3.07Å; R300-L303 PolarHBondContact O-N 3.29Å; L303-K305 PolarHBondContact O-N 3.32Å; L303-E306 PolarHBondContact O-N 3.41Å; L303-V307 WeakPolarHBondContact O-CB 3.4Å; L303-V307 VanDerWaalsContact O-CG2 3.26Å; L303-V307 WeakPolarHBondContact O-CG2 3.13Å; L303-V307 PolarHBondContact O-N 2.82Å |
| 304 | D | 73.2 | Confident | 71.3 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 174.8 | -105.9 | -25.1 | 0 | 0 | 0 | 111.7 | R300 N308 | R300-D304 PolarHBondContact O-N 3.16Å; D304-N308 WeakPolarHBondContact O-CB 3.35Å; D304-N308 PolarHBondContact O-N 3.4Å; D304-N308 PolarHBondContact O-ND2 3.33Å |
| 305 | K | 79.3 | Confident | 70.5 | Confident | 134 Ų | 134 | 93.4 Ų | 93.4 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.7 | -49.1 | 173.7 | -166.5 | 174.9 | -179.3 | 179.7 | 0 | 112 | I301 R302 L303 V307 N308 E309 | I301-K305 WeakPolarHBondContact O-CB 3.39Å; I301-K305 PolarHBondContact O-N 3.45Å; R302-K305 WeakPolarHBondContact O-CB 3.18Å; R302-K305 PolarHBondContact O-N 3.03Å; L303-K305 PolarHBondContact O-N 3.32Å; K305-V307 VanDerWaalsContact C-N 3.32Å; K305-V307 PolarHBondContact O-N 2.94Å; K305-N308 PolarHBondContact O-N 3.3Å; K305-E309 WeakPolarHBondContact CE-OE1 3.4Å; K305-E309 WeakPolarHBondContact O-CG 3.36Å; K305-E309 PolarHBondContact O-N 3.42Å |
| 306 | E | 75 | Confident | 69.7 | Low | 87 Ų | 87 | 93.3 Ų | 93.3 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 174.5 | -73.4 | 172.8 | -157.7 | 0 | 0 | 111.5 | R302 L303 E309 L310 | R302-E306 IonicContact NE-OE1 2.64Å; R302-E306 PolarHBondContact NE-OE1 3.12Å; R302-E306 WeakPolarHBondContact O-CG 3.31Å; R302-E306 PolarHBondContact O-N 3.43Å; L303-E306 PolarHBondContact O-N 3.41Å; E306-E309 PolarHBondContact O-N 2.9Å; E306-L310 WeakPolarHBondContact O-CB 3.33Å; E306-L310 VanDerWaalsContact O-CG 3.26Å; E306-L310 WeakPolarHBondContact O-CG 3.25Å; E306-L310 PolarHBondContact O-N 2.8Å |
| 307 | V | 72.5 | Confident | 68.8 | Low | 71 Ų | 71 | 94.1 Ų | 94.1 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.6 | 165.4 | 0 | 0 | 0 | 0 | 111.6 | L303 K305 L310 K311 | L303-V307 WeakPolarHBondContact O-CB 3.4Å; L303-V307 VanDerWaalsContact O-CG2 3.26Å; L303-V307 WeakPolarHBondContact O-CG2 3.13Å; L303-V307 PolarHBondContact O-N 2.82Å; K305-V307 VanDerWaalsContact C-N 3.32Å; K305-V307 PolarHBondContact O-N 2.94Å; V307-L310 PolarHBondContact O-N 2.89Å; V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 PolarHBondContact O-N 3.1Å |
| 308 | N | 72.5 | Confident | 67.3 | Low | 78 Ų | 78 | 98.2 Ų | 98.2 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 177.9 | -76.9 | -59 | 0 | 0 | 0 | 112.5 | D304 K305 K311 S312 | D304-N308 WeakPolarHBondContact O-CB 3.35Å; D304-N308 PolarHBondContact O-N 3.4Å; D304-N308 PolarHBondContact O-ND2 3.33Å; K305-N308 PolarHBondContact O-N 3.3Å; N308-K311 WeakPolarHBondContact O-CB 3.4Å; N308-K311 PolarHBondContact O-N 3.07Å; N308-S312 PolarHBondContact O-N 3.4Å; N308-S312 PolarHBondContact O-OG 3.35Å; N308-S312 VanDerWaalsContact O-OG 3.13Å |
| 309 | E | 74 | Confident | 66 | Low | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 172.1 | -72.6 | 177.2 | -161.9 | 0 | 0 | 111.4 | K305 E306 S312 A313 | K305-E309 WeakPolarHBondContact CE-OE1 3.4Å; K305-E309 WeakPolarHBondContact O-CG 3.36Å; K305-E309 PolarHBondContact O-N 3.42Å; E306-E309 PolarHBondContact O-N 2.9Å; E309-S312 PolarHBondContact O-N 3.11Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.29Å |
| 310 | L | 69.1 | Low | 64.2 | Low | 122 Ų | 122 | 102.3 Ų | 102.3 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 172.1 | -73.1 | 170.3 | 0 | 0 | 0 | 112.6 | E306 V307 S312 A313 L314 | E306-L310 WeakPolarHBondContact O-CB 3.33Å; E306-L310 VanDerWaalsContact O-CG 3.26Å; E306-L310 WeakPolarHBondContact O-CG 3.25Å; E306-L310 PolarHBondContact O-N 2.8Å; V307-L310 PolarHBondContact O-N 2.89Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 2.98Å; L310-A313 PolarHBondContact O-N 2.92Å; L310-L314 VanDerWaalsContact O-CB 3.25Å; L310-L314 WeakPolarHBondContact O-CB 3.38Å; L310-L314 PolarHBondContact O-N 3.16Å |
| 311 | K | 68.4 | Low | 62.2 | Low | 139 Ų | 139 | 102.5 Ų | 102.5 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.8 | -43.8 | 173.4 | -127.6 | 168.3 | -177.3 | 170.5 | 0 | 111.2 | V307 N308 L314 G315 | V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 PolarHBondContact O-N 3.1Å; N308-K311 WeakPolarHBondContact O-CB 3.4Å; N308-K311 PolarHBondContact O-N 3.07Å; K311-L314 PolarHBondContact O-N 2.62Å; K311-G315 PolarHBondContact O-N 2.96Å |
| 312 | S | 69.3 | Low | 60.3 | Low | 80 Ų | 80 | 104.4 Ų | 104.4 | 56% | 0.559 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.6 | -46.7 | 176.7 | -65 | 0 | 0 | 0 | 0 | 111.4 | N308 E309 L310 L314 G315 S316 | N308-S312 PolarHBondContact O-N 3.4Å; N308-S312 PolarHBondContact O-OG 3.35Å; N308-S312 VanDerWaalsContact O-OG 3.13Å; E309-S312 PolarHBondContact O-N 3.11Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 2.98Å; S312-L314 VanDerWaalsContact C-N 3.33Å; S312-L314 PolarHBondContact O-N 2.97Å; S312-G315 CarbonylContact O-C 3.53Å; S312-G315 WeakPolarHBondContact O-CA 3.47Å; S312-G315 PolarHBondContact O-N 3.27Å; S312-S316 PolarHBondContact O-N 2.86Å; S312-S316 PolarHBondContact O-OG 3.41Å |
| 313 | A | 65.4 | Low | 58.2 | Low | 55 Ų | 55 | 103.8 Ų | 103.8 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E309 L310 G315 S316 S317 | E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.29Å; L310-A313 PolarHBondContact O-N 2.92Å; A313-G315 VanDerWaalsContact C-N 3.32Å; A313-S316 PolarHBondContact O-N 2.74Å; A313-S317 WeakPolarHBondContact O-CB 3.37Å; A313-S317 PolarHBondContact O-N 2.77Å; A313-S317 PolarHBondContact O-OG 3.42Å |
| 314 | L | 50.8 | Low | 56.3 | Low | 100 Ų | 100 | 105.2 Ų | 105.2 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.3 | -27.7 | 173.2 | -173.3 | 62.4 | 0 | 0 | 0 | 112.4 | L310 K311 S312 S317 K318 | L310-L314 VanDerWaalsContact O-CB 3.25Å; L310-L314 WeakPolarHBondContact O-CB 3.38Å; L310-L314 PolarHBondContact O-N 3.16Å; K311-L314 PolarHBondContact O-N 2.62Å; S312-L314 VanDerWaalsContact C-N 3.33Å; S312-L314 PolarHBondContact O-N 2.97Å; L314-S317 WeakPolarHBondContact CA-OG 3.22Å; L314-K318 WeakPolarHBondContact O-CB 3.4Å; L314-K318 VanDerWaalsContact O-CG 3.3Å; L314-K318 WeakPolarHBondContact O-CG 3.34Å; L314-K318 PolarHBondContact O-N 2.75Å |
| 315 | G | 49.9 | Very low | 54.4 | Low | 45 Ų | 45 | 108.1 Ų | 108.1 | 46% | 0.464 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.4 | -49.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K311 S312 A313 K318 | K311-G315 PolarHBondContact O-N 2.96Å; S312-G315 CarbonylContact O-C 3.53Å; S312-G315 WeakPolarHBondContact O-CA 3.47Å; S312-G315 PolarHBondContact O-N 3.27Å; A313-G315 VanDerWaalsContact C-N 3.32Å; G315-K318 PolarHBondContact O-N 3.4Å |
| 316 | S | 54.7 | Low | 52.1 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 56% | 0.559 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.7 | -50.8 | 177.9 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | S312 A313 K318 S319 | S312-S316 PolarHBondContact O-N 2.86Å; S312-S316 PolarHBondContact O-OG 3.41Å; A313-S316 PolarHBondContact O-N 2.74Å; S316-K318 PolarHBondContact O-N 2.98Å; S316-S319 WeakPolarHBondContact O-CB 3.39Å; S316-S319 PolarHBondContact O-N 3.36Å; S316-S319 PolarHBondContact O-OG 3.26Å |
| 317 | S | 47.9 | Very low | 50 | Low | 73 Ų | 73 | 108.8 Ų | 108.8 | 51% | 0.51 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.4 | -18.1 | -178.5 | 52 | 0 | 0 | 0 | 0 | 114.4 | A313 L314 S319 | A313-S317 WeakPolarHBondContact O-CB 3.37Å; A313-S317 PolarHBondContact O-N 2.77Å; A313-S317 PolarHBondContact O-OG 3.42Å; L314-S317 WeakPolarHBondContact CA-OG 3.22Å; S317-S319 VanDerWaalsContact C-N 3.32Å |
| 318 | K | 40.6 | Very low | 47.9 | Very low | 159 Ų | 159 | 111.7 Ų | 111.7 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -11.8 | 170.5 | -83 | 178 | 178.1 | 176.8 | 0 | 114.6 | L314 G315 S316 | L314-K318 WeakPolarHBondContact O-CB 3.4Å; L314-K318 VanDerWaalsContact O-CG 3.3Å; L314-K318 WeakPolarHBondContact O-CG 3.34Å; L314-K318 PolarHBondContact O-N 2.75Å; G315-K318 PolarHBondContact O-N 3.4Å; S316-K318 PolarHBondContact O-N 2.98Å |
| 319 | S | 45.2 | Very low | 46 | Very low | 103 Ų | 103 | 115 Ų | 115 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -13.9 | -179.7 | 70.4 | 0 | 0 | 0 | 0 | 114.7 | S316 S317 | S316-S319 WeakPolarHBondContact O-CB 3.39Å; S316-S319 PolarHBondContact O-N 3.36Å; S316-S319 PolarHBondContact O-OG 3.26Å; S317-S319 VanDerWaalsContact C-N 3.32Å |
| 320 | E | 36.9 | Very low | 44.1 | Very low | 176 Ų | 176 | 118.5 Ų | 118.5 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -114.9 | 21.4 | -165.3 | -151.3 | 170.2 | -144.9 | 0 | 0 | 114.7 | ||
| 321 | V | 35.5 | Very low | 42.2 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -128 | 106.9 | 172.3 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | P323 | V321-P323 WeakPolarHBondContact O-CD 3.38Š| ||
| 322 | N | 36.1 | Very low | 40.4 | Very low | 143 Ų | 143 | 119 Ų | 119 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | trans | -114.7 | 99.6 | -176.7 | -179.2 | -0.6 | 0 | 0 | 0 | 111.7 | T324 | N322-T324 PolarHBondContact O-N 3.42Š| ||
| 323 | P | 34.4 | Very low | 39 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | trans | -98.4 | 65.1 | -173.4 | 38.1 | -35 | 0 | 0 | 0 | 113.1 | V321 | V321-P323 WeakPolarHBondContact O-CD 3.38Š| ||
| 324 | T | 31.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 120 Ų | 120 | 73% | 0.73 | 70% | 0.699 | S | S | * | * | trans | -101.1 | 81.3 | 162.2 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | N322 | N322-T324 PolarHBondContact O-N 3.42Š| ||
| 325 | I | 33.4 | Very low | 37.1 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -170.8 | 126.9 | 158.9 | -104.2 | 149.1 | 0 | 0 | 0 | 111.6 | ||||
| 326 | I | 31.2 | Very low | 36.8 | Very low | 142 Ų | 142 | 124 Ų | 124 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | trans | 33.2 | 106 | 141.2 | -42.6 | 176.3 | 0 | 0 | 0 | 116.5 | ||||
| 327 | S | 30.5 | Very low | 36.5 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | 67 | 129.9 | 79 | 160.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 328 | D | 29.4 | Very low | 36.2 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 73.8 | 103.6 | 158.9 | -70.3 | 41.4 | 0 | 0 | 0 | 120.8 | ||||
| 329 | N | 31.6 | Very low | 36.8 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | 86.5 | 147.8 | 144 | -66.2 | -61.4 | 0 | 0 | 0 | 122.1 | ||||
| 330 | Q | 34.6 | Very low | 37.4 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | trans | 72.1 | 82.3 | 165 | -69.3 | -179.7 | -10.4 | 0 | 0 | 119.6 | ||||
| 331 | C | 29.8 | Very low | 38.5 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 93% | 0.926 | 69% | 0.685 | S | S | * | * | trans | 7.9 | 125.5 | 136 | -167.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 332 | N | 30.7 | Very low | 39.8 | Very low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -144.9 | 141.5 | 173.9 | -148.1 | -3.2 | 0 | 0 | 0 | 109.8 | G334 | N332-G334 VanDerWaalsContact C-N 3.25Å; N332-G334 PolarHBondContact O-N 2.86Å | ||
| 333 | P | 38.4 | Very low | 41.2 | Very low | 104 Ų | 104 | 116 Ų | 116 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -4.7 | -162.8 | -25 | 36.1 | 0 | 0 | 0 | 118.4 | L335 | P333-L335 PolarHBondContact O-N 2.8Š|
| 334 | G | 38.4 | Very low | 42.9 | Very low | 52 Ų | 52 | 115.5 Ų | 115.5 | 54% | 0.536 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -19.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N332 V336 N337 | N332-G334 VanDerWaalsContact C-N 3.25Å; N332-G334 PolarHBondContact O-N 2.86Å; G334-V336 VanDerWaalsContact C-N 3.29Å; G334-V336 PolarHBondContact O-N 2.98Å; G334-N337 PolarHBondContact O-N 3.36Å |
| 335 | L | 37.4 | Very low | 44.3 | Very low | 134 Ų | 134 | 114.6 Ų | 114.6 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.7 | -27.9 | -176.2 | -145.6 | 77.4 | 0 | 0 | 0 | 113.2 | P333 N337 L338 Q339 | P333-L335 PolarHBondContact O-N 2.8Å; L335-N337 PolarHBondContact O-N 2.93Å; L335-L338 PolarHBondContact O-N 2.86Å; L335-Q339 PolarHBondContact O-N 2.85Å; L335-Q339 VanDerWaalsContact O-N 3.13Å |
| 336 | V | 44.8 | Very low | 45.8 | Very low | 94 Ų | 94 | 110.2 Ų | 110.2 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63 | -42.6 | 180 | -178.4 | 0 | 0 | 0 | 0 | 111 | G334 L338 Q339 T340 | G334-V336 VanDerWaalsContact C-N 3.29Å; G334-V336 PolarHBondContact O-N 2.98Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 2.78Å; V336-Q339 WeakPolarHBondContact O-CB 3.21Å; V336-Q339 PolarHBondContact O-N 3.18Å; V336-Q339 VanDerWaalsContact O-N 3.16Å; V336-T340 PolarHBondContact O-N 2.89Å; V336-T340 PolarHBondContact O-OG1 3.26Å; V336-T340 VanDerWaalsContact O-OG1 3.12Å |
| 337 | N | 48.5 | Very low | 47.8 | Very low | 124 Ų | 124 | 107.4 Ų | 107.4 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.9 | -29.3 | 178.5 | -75.3 | 10.6 | 0 | 0 | 0 | 112.8 | G334 L335 L341 | G334-N337 PolarHBondContact O-N 3.36Å; L335-N337 PolarHBondContact O-N 2.93Å; N337-L341 WeakPolarHBondContact O-CB 3.34Å; N337-L341 PolarHBondContact O-N 3.17Å |
| 338 | L | 41.2 | Very low | 49.6 | Very low | 110 Ų | 110 | 108 Ų | 108 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.9 | -35.6 | 174.6 | -77.2 | 170.7 | 0 | 0 | 0 | 111.9 | L335 V336 N342 | L335-L338 PolarHBondContact O-N 2.86Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 2.78Å; L338-N342 VanDerWaalsContact O-CB 3.27Å; L338-N342 WeakPolarHBondContact O-CB 3.5Å; L338-N342 PolarHBondContact O-N 2.69Å |
| 339 | Q | 52.5 | Low | 51.3 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.9 | -52 | 171.5 | -161.6 | 70.2 | 39.2 | 0 | 0 | 110.2 | L335 V336 L341 N342 D343 | L335-Q339 PolarHBondContact O-N 2.85Å; L335-Q339 VanDerWaalsContact O-N 3.13Å; V336-Q339 WeakPolarHBondContact O-CB 3.21Å; V336-Q339 PolarHBondContact O-N 3.18Å; V336-Q339 VanDerWaalsContact O-N 3.16Å; Q339-L341 PolarHBondContact O-N 3.35Å; Q339-N342 WeakPolarHBondContact O-CB 3.49Å; Q339-N342 PolarHBondContact O-N 2.78Å; Q339-N342 VanDerWaalsContact O-N 3.08Å; Q339-D343 PolarHBondContact O-N 2.75Å |
| 340 | T | 59.5 | Low | 53.1 | Low | 71 Ų | 71 | 104.6 Ų | 104.6 | 44% | 0.436 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.9 | -41.7 | 178.1 | -50 | 0 | 0 | 0 | 0 | 112.4 | V336 N342 D343 E344 | V336-T340 PolarHBondContact O-N 2.89Å; V336-T340 PolarHBondContact O-OG1 3.26Å; V336-T340 VanDerWaalsContact O-OG1 3.12Å; T340-N342 VanDerWaalsContact C-N 3.32Å; T340-N342 PolarHBondContact O-N 3.32Å; T340-D343 PolarHBondContact O-N 3.25Å; T340-E344 VanDerWaalsContact O-CB 3.24Å; T340-E344 WeakPolarHBondContact O-CB 3.27Å; T340-E344 PolarHBondContact O-N 2.72Å |
| 341 | L | 60 | Low | 55 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.6 | -36 | 176 | -176.1 | 66.2 | 0 | 0 | 0 | 112.2 | N337 Q339 L345 | N337-L341 WeakPolarHBondContact O-CB 3.34Å; N337-L341 PolarHBondContact O-N 3.17Å; Q339-L341 PolarHBondContact O-N 3.35Å; L341-L345 HydrophobicContact CG-CD1 4.29Å; L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.26Å |
| 342 | N | 60.8 | Low | 56.5 | Low | 89 Ų | 89 | 97 Ų | 97 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 176 | -175.2 | 86.4 | 0 | 0 | 0 | 112 | L338 Q339 T340 T346 | L338-N342 VanDerWaalsContact O-CB 3.27Å; L338-N342 WeakPolarHBondContact O-CB 3.5Å; L338-N342 PolarHBondContact O-N 2.69Å; Q339-N342 WeakPolarHBondContact O-CB 3.49Å; Q339-N342 PolarHBondContact O-N 2.78Å; Q339-N342 VanDerWaalsContact O-N 3.08Å; T340-N342 VanDerWaalsContact C-N 3.32Å; T340-N342 PolarHBondContact O-N 3.32Å; N342-T346 VanDerWaalsContact O-CB 3.31Å; N342-T346 WeakPolarHBondContact O-CB 3.43Å; N342-T346 PolarHBondContact O-N 3.34Å; N342-T346 PolarHBondContact O-OG1 3.28Å |
| 343 | D | 67.4 | Low | 58.4 | Low | 79 Ų | 79 | 96.1 Ų | 96.1 | 42% | 0.422 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 175.8 | -59.4 | -23.1 | 0 | 0 | 0 | 110.9 | Q339 T340 T346 T347 | Q339-D343 PolarHBondContact O-N 2.75Å; T340-D343 PolarHBondContact O-N 3.25Å; D343-T346 PolarHBondContact O-N 3.1Å; D343-T347 WeakPolarHBondContact O-CB 3.48Å; D343-T347 PolarHBondContact O-N 2.77Å; D343-T347 PolarHBondContact O-OG1 3.35Å |
| 344 | E | 68.7 | Low | 60.1 | Low | 110 Ų | 110 | 96.4 Ų | 96.4 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 175.2 | -172.7 | 139.4 | -147.5 | 0 | 0 | 112 | T340 T346 T347 Q348 | T340-E344 VanDerWaalsContact O-CB 3.24Å; T340-E344 WeakPolarHBondContact O-CB 3.27Å; T340-E344 PolarHBondContact O-N 2.72Å; E344-T346 VanDerWaalsContact C-N 3.34Å; E344-T346 PolarHBondContact O-N 3.36Å; E344-T347 PolarHBondContact O-N 3.17Å; E344-Q348 WeakPolarHBondContact O-CG 3.46Å; E344-Q348 PolarHBondContact O-N 3.03Å |
| 345 | L | 62.1 | Low | 61.8 | Low | 99 Ų | 99 | 99.3 Ų | 99.3 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 169.5 | -81.5 | 166.1 | 0 | 0 | 0 | 112.1 | L341 T347 Q348 L349 | L341-L345 HydrophobicContact CG-CD1 4.29Å; L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.26Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.49Å; L345-Q348 PolarHBondContact O-N 2.86Å; L345-L349 VanDerWaalsContact O-CB 3.3Å; L345-L349 WeakPolarHBondContact O-CB 3.17Å; L345-L349 PolarHBondContact O-N 3.28Å |
| 346 | T | 64.7 | Low | 63 | Low | 62 Ų | 62 | 97.1 Ų | 97.1 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 176.2 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | N342 D343 E344 N350 | N342-T346 VanDerWaalsContact O-CB 3.31Å; N342-T346 WeakPolarHBondContact O-CB 3.43Å; N342-T346 PolarHBondContact O-N 3.34Å; N342-T346 PolarHBondContact O-OG1 3.28Å; D343-T346 PolarHBondContact O-N 3.1Å; E344-T346 VanDerWaalsContact C-N 3.34Å; E344-T346 PolarHBondContact O-N 3.36Å; T346-N350 WeakPolarHBondContact O-CB 3.47Å; T346-N350 PolarHBondContact O-N 2.77Å; T346-N350 PolarHBondContact O-ND2 2.96Å |
| 347 | T | 73 | Confident | 64.2 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -45.8 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | D343 E344 L345 L349 N350 E351 | D343-T347 WeakPolarHBondContact O-CB 3.48Å; D343-T347 PolarHBondContact O-N 2.77Å; D343-T347 PolarHBondContact O-OG1 3.35Å; E344-T347 PolarHBondContact O-N 3.17Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.49Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.19Å; T347-N350 PolarHBondContact O-N 3.12Å; T347-E351 PolarHBondContact O-N 3.45Å |
| 348 | Q | 67.9 | Low | 65.3 | Low | 107 Ų | 107 | 96.2 Ų | 96.2 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 175.6 | -70.2 | 178.8 | 22.6 | 0 | 0 | 112.4 | E344 L345 S352 | E344-Q348 WeakPolarHBondContact O-CG 3.46Å; E344-Q348 PolarHBondContact O-N 3.03Å; L345-Q348 PolarHBondContact O-N 2.86Å; Q348-S352 VanDerWaalsContact O-CB 3.31Å; Q348-S352 WeakPolarHBondContact O-CB 3.47Å; Q348-S352 PolarHBondContact O-N 3.1Å; Q348-S352 PolarHBondContact O-OG 2.9Å |
| 349 | L | 65 | Low | 66.4 | Low | 120 Ų | 120 | 95.8 Ų | 95.8 | 63% | 0.628 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 173.9 | -171.3 | 70 | 0 | 0 | 0 | 111.5 | L345 T347 S352 K353 | L345-L349 VanDerWaalsContact O-CB 3.3Å; L345-L349 WeakPolarHBondContact O-CB 3.17Å; L345-L349 PolarHBondContact O-N 3.28Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.19Å; L349-S352 PolarHBondContact O-N 3.06Å; L349-K353 WeakPolarHBondContact O-CB 3.45Å; L349-K353 PolarHBondContact O-N 3.28Å |
| 350 | N | 70.5 | Confident | 67 | Low | 88 Ų | 88 | 95.1 Ų | 95.1 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 176.9 | -74.9 | -32 | 0 | 0 | 0 | 112.5 | T346 T347 S352 K353 L354 | T346-N350 WeakPolarHBondContact O-CB 3.47Å; T346-N350 PolarHBondContact O-N 2.77Å; T346-N350 PolarHBondContact O-ND2 2.96Å; T347-N350 PolarHBondContact O-N 3.12Å; N350-S352 VanDerWaalsContact C-N 3.33Å; N350-S352 PolarHBondContact O-N 3.47Å; N350-K353 PolarHBondContact O-N 2.84Å; N350-L354 WeakPolarHBondContact O-CG 3.21Å; N350-L354 PolarHBondContact O-N 3.32Å |
| 351 | E | 72.7 | Confident | 67.6 | Low | 104 Ų | 104 | 95 Ų | 95 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 170.6 | -88.1 | -154.6 | -174 | 0 | 0 | 112 | T347 K353 L354 K355 | T347-E351 PolarHBondContact O-N 3.45Å; E351-K353 VanDerWaalsContact C-N 3.33Å; E351-L354 PolarHBondContact O-N 2.98Å; E351-K355 WeakPolarHBondContact O-CD 3.31Å; E351-K355 VanDerWaalsContact O-CG 3.25Å; E351-K355 WeakPolarHBondContact O-CG 3.25Å; E351-K355 PolarHBondContact O-N 3.16Å; E351-K355 IonicContact OE2-NZ 2.67Å; E351-K355 PolarHBondContact OE2-NZ 3.37Å |
| 352 | S | 61.5 | Low | 68.1 | Low | 60 Ų | 60 | 93.4 Ų | 93.4 | 42% | 0.42 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 179.2 | -58 | 0 | 0 | 0 | 0 | 110.9 | Q348 L349 N350 K355 I356 | Q348-S352 VanDerWaalsContact O-CB 3.31Å; Q348-S352 WeakPolarHBondContact O-CB 3.47Å; Q348-S352 PolarHBondContact O-N 3.1Å; Q348-S352 PolarHBondContact O-OG 2.9Å; L349-S352 PolarHBondContact O-N 3.06Å; N350-S352 VanDerWaalsContact C-N 3.33Å; N350-S352 PolarHBondContact O-N 3.47Å; S352-K355 PolarHBondContact O-N 3.41Å; S352-I356 WeakPolarHBondContact O-CG1 3.3Å; S352-I356 PolarHBondContact O-N 3.48Å |
| 353 | K | 71.3 | Confident | 68.2 | Low | 116 Ų | 116 | 93.8 Ų | 93.8 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 174.9 | -165.2 | -177.4 | -177.6 | -111.7 | 0 | 112.5 | L349 N350 E351 K355 I356 E357 | L349-K353 WeakPolarHBondContact O-CB 3.45Å; L349-K353 PolarHBondContact O-N 3.28Å; N350-K353 PolarHBondContact O-N 2.84Å; E351-K353 VanDerWaalsContact C-N 3.33Å; K353-K355 VanDerWaalsContact C-N 3.3Å; K353-K355 PolarHBondContact O-N 2.92Å; K353-I356 WeakPolarHBondContact O-CB 3.27Å; K353-I356 PolarHBondContact O-N 2.86Å; K353-I356 VanDerWaalsContact O-N 3.16Å; K353-E357 WeakPolarHBondContact CE-OE1 3.21Å; K353-E357 IonicContact NZ-OE1 2.66Å; K353-E357 PolarHBondContact NZ-OE1 3.22Å; K353-E357 PolarHBondContact O-N 3.49Å |
| 354 | L | 74.5 | Confident | 68.4 | Low | 111 Ų | 111 | 94.6 Ų | 94.6 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.8 | -33.6 | 175.2 | -76.1 | 167.7 | 0 | 0 | 0 | 112.5 | N350 E351 H358 | N350-L354 WeakPolarHBondContact O-CG 3.21Å; N350-L354 PolarHBondContact O-N 3.32Å; E351-L354 PolarHBondContact O-N 2.98Å; L354-H358 WeakPolarHBondContact O-CB 3.45Å; L354-H358 PolarHBondContact O-N 3.3Å |
| 355 | K | 73 | Confident | 68.5 | Low | 112 Ų | 112 | 93.9 Ų | 93.9 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 172.3 | -70.9 | 160.5 | -167.3 | 162.9 | 0 | 111.4 | E351 S352 K353 L359 | E351-K355 WeakPolarHBondContact O-CD 3.31Å; E351-K355 VanDerWaalsContact O-CG 3.25Å; E351-K355 WeakPolarHBondContact O-CG 3.25Å; E351-K355 PolarHBondContact O-N 3.16Å; E351-K355 IonicContact OE2-NZ 2.67Å; E351-K355 PolarHBondContact OE2-NZ 3.37Å; S352-K355 PolarHBondContact O-N 3.41Å; K353-K355 VanDerWaalsContact C-N 3.3Å; K353-K355 PolarHBondContact O-N 2.92Å; K355-L359 VanDerWaalsContact O-CG 3.27Å; K355-L359 WeakPolarHBondContact O-CG 3.27Å; K355-L359 PolarHBondContact O-N 3.28Å |
| 356 | I | 63.6 | Low | 68.3 | Low | 89 Ų | 89 | 94.6 Ų | 94.6 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -52.1 | 173.4 | -68.1 | 163.9 | 0 | 0 | 0 | 110.9 | S352 K353 H358 L359 E360 | S352-I356 WeakPolarHBondContact O-CG1 3.3Å; S352-I356 PolarHBondContact O-N 3.48Å; K353-I356 WeakPolarHBondContact O-CB 3.27Å; K353-I356 PolarHBondContact O-N 2.86Å; K353-I356 VanDerWaalsContact O-N 3.16Å; I356-H358 PolarHBondContact O-N 2.89Å; I356-L359 PolarHBondContact O-N 3.29Å; I356-E360 HydrophobicContact CG2-CG 4.2Å; I356-E360 WeakPolarHBondContact O-CG 3.48Å; I356-E360 PolarHBondContact O-N 3.1Å |
| 357 | E | 70.6 | Confident | 68.4 | Low | 85 Ų | 85 | 96.3 Ų | 96.3 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.9 | -34.2 | 178.1 | -73.3 | 175.2 | -177.4 | 0 | 0 | 112.2 | K353 S361 | K353-E357 WeakPolarHBondContact CE-OE1 3.21Å; K353-E357 IonicContact NZ-OE1 2.66Å; K353-E357 PolarHBondContact NZ-OE1 3.22Å; K353-E357 PolarHBondContact O-N 3.49Å; E357-S361 VanDerWaalsContact O-CB 3.28Å; E357-S361 WeakPolarHBondContact O-CB 3.5Å; E357-S361 PolarHBondContact O-N 3.16Å |
| 358 | H | 71.1 | Confident | 68.4 | Low | 114 Ų | 114 | 97.4 Ų | 97.4 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.4 | -38.7 | 173.4 | -176 | 44 | 0 | 0 | 0 | 113.1 | L354 I356 S361 N362 | L354-H358 WeakPolarHBondContact O-CB 3.45Å; L354-H358 PolarHBondContact O-N 3.3Å; I356-H358 PolarHBondContact O-N 2.89Å; H358-S361 PolarHBondContact O-N 2.92Å; H358-N362 PolarHBondContact CE1-ND2 2.82Å; H358-N362 VanDerWaalsContact CE1-ND2 3.27Å; H358-N362 PolarHBondContact CE1-OD1 2.99Å; H358-N362 PolarHBondContact NE2-ND2 3.43Å; H358-N362 PolarHBondContact O-N 3.1Å; H358-N362 PolarHBondContact O-ND2 3.47Å; H358-N362 VanDerWaalsContact O-ND2 3.16Å |
| 359 | L | 64.4 | Low | 68.5 | Low | 101 Ų | 101 | 98 Ų | 98 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 175.3 | -73.8 | 167.1 | 0 | 0 | 0 | 111.8 | K355 I356 S361 N362 Q363 | K355-L359 VanDerWaalsContact O-CG 3.27Å; K355-L359 WeakPolarHBondContact O-CG 3.27Å; K355-L359 PolarHBondContact O-N 3.28Å; I356-L359 PolarHBondContact O-N 3.29Å; L359-S361 VanDerWaalsContact C-N 3.33Å; L359-S361 PolarHBondContact O-N 2.95Å; L359-N362 PolarHBondContact O-N 2.77Å; L359-Q363 WeakPolarHBondContact O-CG 3.38Å; L359-Q363 PolarHBondContact O-N 2.77Å |
| 360 | E | 63.9 | Low | 68.5 | Low | 100 Ų | 100 | 96.1 Ų | 96.1 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 173.9 | -70.1 | 173.7 | 165.8 | 0 | 0 | 111.2 | I356 N362 Q363 I364 | I356-E360 HydrophobicContact CG2-CG 4.2Å; I356-E360 WeakPolarHBondContact O-CG 3.48Å; I356-E360 PolarHBondContact O-N 3.1Å; E360-N362 PolarHBondContact O-N 2.8Å; E360-Q363 PolarHBondContact O-N 3.25Å; E360-I364 WeakPolarHBondContact O-CG1 3.32Å; E360-I364 PolarHBondContact O-N 2.77Å |
| 361 | S | 72.1 | Confident | 68.2 | Low | 68 Ų | 68 | 96.6 Ų | 96.6 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 176.1 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | E357 H358 L359 I364 E365 | E357-S361 VanDerWaalsContact O-CB 3.28Å; E357-S361 WeakPolarHBondContact O-CB 3.5Å; E357-S361 PolarHBondContact O-N 3.16Å; H358-S361 PolarHBondContact O-N 2.92Å; L359-S361 VanDerWaalsContact C-N 3.33Å; L359-S361 PolarHBondContact O-N 2.95Å; S361-I364 PolarHBondContact O-N 2.91Å; S361-E365 PolarHBondContact O-N 3.39Å |
| 362 | N | 72.2 | Confident | 68.2 | Low | 64 Ų | 64 | 97.1 Ų | 97.1 | 34% | 0.342 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 173.6 | -69.8 | -30.4 | 0 | 0 | 0 | 112.2 | H358 L359 E360 E365 Q366 | H358-N362 PolarHBondContact CE1-ND2 2.82Å; H358-N362 VanDerWaalsContact CE1-ND2 3.27Å; H358-N362 PolarHBondContact CE1-OD1 2.99Å; H358-N362 PolarHBondContact NE2-ND2 3.43Å; H358-N362 PolarHBondContact O-N 3.1Å; H358-N362 PolarHBondContact O-ND2 3.47Å; H358-N362 VanDerWaalsContact O-ND2 3.16Å; L359-N362 PolarHBondContact O-N 2.77Å; E360-N362 PolarHBondContact O-N 2.8Å; N362-E365 PolarHBondContact O-N 3.27Å; N362-Q366 VanDerWaalsContact O-CG 3.31Å; N362-Q366 WeakPolarHBondContact O-CG 3.36Å; N362-Q366 PolarHBondContact O-N 2.97Å |
| 363 | Q | 61.2 | Low | 68.3 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 174.6 | -73.6 | -177.4 | -55.8 | 0 | 0 | 111.9 | L359 E360 E365 Q366 L367 | L359-Q363 WeakPolarHBondContact O-CG 3.38Å; L359-Q363 PolarHBondContact O-N 2.77Å; E360-Q363 PolarHBondContact O-N 3.25Å; Q363-E365 VanDerWaalsContact C-N 3.32Å; Q363-E365 PolarHBondContact O-N 3.03Å; Q363-Q366 PolarHBondContact O-N 2.79Å; Q363-L367 WeakPolarHBondContact O-CG 3.42Å; Q363-L367 PolarHBondContact O-N 3.46Å |
| 364 | I | 72.5 | Confident | 67.9 | Low | 96 Ų | 96 | 99.4 Ų | 99.4 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 174.6 | -70.6 | 165.2 | 0 | 0 | 0 | 111.2 | E360 S361 L367 K368 | E360-I364 WeakPolarHBondContact O-CG1 3.32Å; E360-I364 PolarHBondContact O-N 2.77Å; S361-I364 PolarHBondContact O-N 2.91Å; I364-L367 PolarHBondContact O-N 2.76Å; I364-K368 WeakPolarHBondContact O-CG 3.09Å; I364-K368 PolarHBondContact O-N 3.09Å |
| 365 | E | 70.7 | Confident | 67.8 | Low | 94 Ų | 94 | 98 Ų | 98 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.7 | -31.7 | 177.2 | -157.7 | 67.7 | -176.4 | 0 | 0 | 112.6 | S361 N362 Q363 K368 Q369 | S361-E365 PolarHBondContact O-N 3.39Å; N362-E365 PolarHBondContact O-N 3.27Å; Q363-E365 VanDerWaalsContact C-N 3.32Å; Q363-E365 PolarHBondContact O-N 3.03Å; E365-K368 IonicContact OE2-NZ 3.31Å; E365-K368 PolarHBondContact OE2-NZ 3.37Å; E365-Q369 WeakPolarHBondContact O-CG 3.49Å; E365-Q369 PolarHBondContact O-N 3.41Å |
| 366 | Q | 57.3 | Low | 67.5 | Low | 114 Ų | 114 | 96.9 Ų | 96.9 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 171.4 | -75.4 | 172 | -10.9 | 0 | 0 | 112.2 | N362 Q363 K368 Q369 I370 | N362-Q366 VanDerWaalsContact O-CG 3.31Å; N362-Q366 WeakPolarHBondContact O-CG 3.36Å; N362-Q366 PolarHBondContact O-N 2.97Å; Q363-Q366 PolarHBondContact O-N 2.79Å; Q366-K368 PolarHBondContact O-N 2.72Å; Q366-Q369 WeakPolarHBondContact O-CB 3.49Å; Q366-Q369 PolarHBondContact O-N 2.83Å; Q366-Q369 VanDerWaalsContact O-N 3.1Å; Q366-I370 WeakPolarHBondContact O-CG1 3.23Å; Q366-I370 PolarHBondContact O-N 3.07Å |
| 367 | L | 67 | Low | 67.6 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.7 | -75.1 | 167.4 | 0 | 0 | 0 | 111.7 | Q363 I364 Q369 I370 D371 | Q363-L367 WeakPolarHBondContact O-CG 3.42Å; Q363-L367 PolarHBondContact O-N 3.46Å; I364-L367 PolarHBondContact O-N 2.76Å; L367-Q369 PolarHBondContact O-N 3.49Å; L367-I370 CarbonylContact O-C 3.58Å; L367-I370 WeakPolarHBondContact O-CA 3.22Å; L367-I370 WeakPolarHBondContact O-CB 3.42Å; L367-I370 PolarHBondContact O-N 2.74Å; L367-D371 VanDerWaalsContact O-CG 3.31Å; L367-D371 PolarHBondContact O-N 3.31Å |
| 368 | K | 73.6 | Confident | 67.4 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -32.1 | 174.2 | -66.2 | 172.4 | -160 | 159.6 | 0 | 113.7 | I364 E365 Q366 H372 | I364-K368 WeakPolarHBondContact O-CG 3.09Å; I364-K368 PolarHBondContact O-N 3.09Å; E365-K368 IonicContact OE2-NZ 3.31Å; E365-K368 PolarHBondContact OE2-NZ 3.37Å; Q366-K368 PolarHBondContact O-N 2.72Å; K368-H372 WeakPolarHBondContact O-CB 3.39Å; K368-H372 PolarHBondContact O-N 3.02Å; K368-H372 VanDerWaalsContact O-N 3.11Å |
| 369 | Q | 69.8 | Low | 67.4 | Low | 118 Ų | 118 | 96.9 Ų | 96.9 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.3 | -33.5 | 176.1 | -70.3 | 174.9 | 29.4 | 0 | 0 | 111.1 | E365 Q366 L367 L373 | E365-Q369 WeakPolarHBondContact O-CG 3.49Å; E365-Q369 PolarHBondContact O-N 3.41Å; Q366-Q369 WeakPolarHBondContact O-CB 3.49Å; Q366-Q369 PolarHBondContact O-N 2.83Å; Q366-Q369 VanDerWaalsContact O-N 3.1Å; L367-Q369 PolarHBondContact O-N 3.49Å; Q369-L373 WeakPolarHBondContact O-CB 3.47Å; Q369-L373 WeakPolarHBondContact O-CD1 3.47Å; Q369-L373 VanDerWaalsContact O-CG 3.23Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 3.41Å; Q369-L373 VanDerWaalsContact O-N 3.08Å |
| 370 | I | 65 | Low | 67 | Low | 81 Ų | 81 | 98 Ų | 98 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -51.2 | 171 | -64.3 | 166 | 0 | 0 | 0 | 110.1 | Q366 L367 H372 L373 E374 | Q366-I370 WeakPolarHBondContact O-CG1 3.23Å; Q366-I370 PolarHBondContact O-N 3.07Å; L367-I370 CarbonylContact O-C 3.58Å; L367-I370 WeakPolarHBondContact O-CA 3.22Å; L367-I370 WeakPolarHBondContact O-CB 3.42Å; L367-I370 PolarHBondContact O-N 2.74Å; I370-H372 PolarHBondContact O-N 2.96Å; I370-H372 VanDerWaalsContact O-N 3.16Å; I370-L373 PolarHBondContact O-N 3.39Å; I370-E374 HydrophobicContact CG2-CG 4.28Å; I370-E374 PolarHBondContact O-N 2.84Å |
| 371 | D | 65.1 | Low | 67.1 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -52 | -41 | 176.5 | -61.6 | -23.2 | 0 | 0 | 0 | 112 | L367 S375 | L367-D371 VanDerWaalsContact O-CG 3.31Å; L367-D371 PolarHBondContact O-N 3.31Å; D371-S375 WeakPolarHBondContact O-CB 3.4Å; D371-S375 PolarHBondContact O-N 3.26Å; D371-S375 VanDerWaalsContact O-N 3.08Å |
| 372 | H | 72.3 | Confident | 67 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 53% | 0.532 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 177.6 | -173.8 | -6.7 | 0 | 0 | 0 | 112.3 | K368 I370 S375 E376 | K368-H372 WeakPolarHBondContact O-CB 3.39Å; K368-H372 PolarHBondContact O-N 3.02Å; K368-H372 VanDerWaalsContact O-N 3.11Å; I370-H372 PolarHBondContact O-N 2.96Å; I370-H372 VanDerWaalsContact O-N 3.16Å; H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.83Å; H372-E376 IonicContact CE1-OE1 2.64Å; H372-E376 PolarHBondContact CE1-OE1 2.61Å; H372-E376 PolarHBondContact O-N 3.37Å |
| 373 | L | 63.4 | Low | 66.7 | Low | 102 Ų | 102 | 99.2 Ų | 99.2 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.1 | -34.4 | 177.8 | -73 | 168.1 | 0 | 0 | 0 | 112.2 | Q369 I370 E376 L377 | Q369-L373 WeakPolarHBondContact O-CB 3.47Å; Q369-L373 WeakPolarHBondContact O-CD1 3.47Å; Q369-L373 VanDerWaalsContact O-CG 3.23Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 3.41Å; Q369-L373 VanDerWaalsContact O-N 3.08Å; I370-L373 PolarHBondContact O-N 3.39Å; L373-E376 PolarHBondContact O-N 2.86Å; L373-L377 WeakPolarHBondContact O-CB 3.18Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.65Å |
| 374 | E | 63.1 | Low | 66.8 | Low | 121 Ų | 121 | 100.7 Ų | 100.7 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | 172 | -71.9 | -174 | -179.1 | 0 | 0 | 111.5 | I370 E376 L377 H378 | I370-E374 HydrophobicContact CG2-CG 4.28Å; I370-E374 PolarHBondContact O-N 2.84Å; E374-E376 PolarHBondContact O-N 3.17Å; E374-L377 PolarHBondContact O-N 3.38Å; E374-H378 WeakPolarHBondContact O-CB 3.46Å; E374-H378 PolarHBondContact O-N 2.96Å |
| 375 | S | 71.2 | Confident | 66.4 | Low | 82 Ų | 82 | 102 Ų | 102 | 57% | 0.573 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -40.3 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | D371 H372 S379 | D371-S375 WeakPolarHBondContact O-CB 3.4Å; D371-S375 PolarHBondContact O-N 3.26Å; D371-S375 VanDerWaalsContact O-N 3.08Å; H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.83Å; S375-S379 PolarHBondContact O-N 3.32Å; S375-S379 VanDerWaalsContact O-N 3.16Å |
| 376 | E | 67.6 | Low | 66.2 | Low | 88 Ų | 88 | 103.8 Ų | 103.8 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -45 | 172.3 | -71.6 | -165.3 | 160.8 | 0 | 0 | 112.1 | H372 L373 E374 H378 S379 Y380 | H372-E376 IonicContact CE1-OE1 2.64Å; H372-E376 PolarHBondContact CE1-OE1 2.61Å; H372-E376 PolarHBondContact O-N 3.37Å; L373-E376 PolarHBondContact O-N 2.86Å; E374-E376 PolarHBondContact O-N 3.17Å; E376-H378 VanDerWaalsContact C-N 3.3Å; E376-H378 PolarHBondContact O-N 3.28Å; E376-S379 VanDerWaalsContact O-CB 3.29Å; E376-S379 WeakPolarHBondContact O-CB 3.35Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.13Å; E376-Y380 HydrophobicContact CB-CE2 4.32Å; E376-Y380 WeakPolarHBondContact O-CD2 3.45Å; E376-Y380 PolarHBondContact O-N 3.29Å |
| 377 | L | 64.6 | Low | 66.7 | Low | 110 Ų | 110 | 102.7 Ų | 102.7 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.5 | -40.9 | 175.9 | -83.8 | 166.6 | 0 | 0 | 0 | 112.3 | L373 E374 S379 Y380 Q381 | L373-L377 WeakPolarHBondContact O-CB 3.18Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.65Å; E374-L377 PolarHBondContact O-N 3.38Å; L377-S379 VanDerWaalsContact C-N 3.34Å; L377-Y380 PolarHBondContact O-N 3.42Å; L377-Q381 WeakPolarHBondContact O-CG 3.4Å; L377-Q381 PolarHBondContact O-N 3.13Å |
| 378 | H | 67.7 | Low | 66.8 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | 178.4 | -156.1 | 52.9 | 0 | 0 | 0 | 112.2 | E374 E376 Q381 N382 | E374-H378 WeakPolarHBondContact O-CB 3.46Å; E374-H378 PolarHBondContact O-N 2.96Å; E376-H378 VanDerWaalsContact C-N 3.3Å; E376-H378 PolarHBondContact O-N 3.28Å; H378-Q381 PolarHBondContact ND1-OE1 3.18Å; H378-Q381 PolarHBondContact O-N 2.96Å; H378-N382 PolarHBondContact O-N 3.5Å; H378-N382 VanDerWaalsContact O-N 3.11Å; H378-N382 PolarHBondContact O-ND2 3.44Å |
| 379 | S | 70.7 | Confident | 66.4 | Low | 66 Ų | 66 | 103.3 Ų | 103.3 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 168.5 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | S375 E376 L377 Q381 N382 I383 | S375-S379 PolarHBondContact O-N 3.32Å; S375-S379 VanDerWaalsContact O-N 3.16Å; E376-S379 VanDerWaalsContact O-CB 3.29Å; E376-S379 WeakPolarHBondContact O-CB 3.35Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.13Å; L377-S379 VanDerWaalsContact C-N 3.34Å; S379-Q381 PolarHBondContact O-N 3.27Å; S379-N382 PolarHBondContact O-N 3.29Å; S379-I383 WeakPolarHBondContact O-CG1 3.41Å; S379-I383 PolarHBondContact O-N 2.98Å; S379-I383 VanDerWaalsContact O-N 3.13Å |
| 380 | Y | 55.6 | Low | 66.5 | Low | 123 Ų | 123 | 101.8 Ų | 101.8 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 175.2 | -71.5 | -65.2 | 0 | 0 | 0 | 112.9 | E376 L377 I383 Q384 | E376-Y380 HydrophobicContact CB-CE2 4.32Å; E376-Y380 WeakPolarHBondContact O-CD2 3.45Å; E376-Y380 PolarHBondContact O-N 3.29Å; L377-Y380 PolarHBondContact O-N 3.42Å; Y380-I383 PolarHBondContact O-N 3.29Å; Y380-Q384 WeakPolarHBondContact O-CB 3.41Å; Y380-Q384 PolarHBondContact O-N 3.41Å |
| 381 | Q | 66.9 | Low | 66.9 | Low | 99 Ų | 99 | 103.7 Ų | 103.7 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 173.9 | -78.9 | -179.5 | -29.3 | 0 | 0 | 112.3 | L377 H378 S379 Q384 Q385 | L377-Q381 WeakPolarHBondContact O-CG 3.4Å; L377-Q381 PolarHBondContact O-N 3.13Å; H378-Q381 PolarHBondContact ND1-OE1 3.18Å; H378-Q381 PolarHBondContact O-N 2.96Å; S379-Q381 PolarHBondContact O-N 3.27Å; Q381-Q384 PolarHBondContact O-N 3.04Å; Q381-Q385 WeakPolarHBondContact O-CG 3.49Å; Q381-Q385 PolarHBondContact O-N 3.26Å |
| 382 | N | 68.8 | Low | 67.2 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.4 | -74.6 | -35.6 | 0 | 0 | 0 | 111.5 | H378 S379 Q384 Q385 E386 | H378-N382 PolarHBondContact O-N 3.5Å; H378-N382 VanDerWaalsContact O-N 3.11Å; H378-N382 PolarHBondContact O-ND2 3.44Å; S379-N382 PolarHBondContact O-N 3.29Å; N382-Q384 VanDerWaalsContact C-N 3.28Å; N382-Q384 PolarHBondContact O-N 3Å; N382-Q385 PolarHBondContact O-N 3.33Å; N382-E386 PolarHBondContact O-N 3.23Å |
| 383 | I | 66.4 | Low | 67.1 | Low | 82 Ų | 82 | 105 Ų | 105 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 175.5 | -65.6 | 167.8 | 0 | 0 | 0 | 111.2 | S379 Y380 N387 | S379-I383 WeakPolarHBondContact O-CG1 3.41Å; S379-I383 PolarHBondContact O-N 2.98Å; S379-I383 VanDerWaalsContact O-N 3.13Å; Y380-I383 PolarHBondContact O-N 3.29Å; I383-N387 WeakPolarHBondContact O-CB 3.33Å; I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 3.27Å |
| 384 | Q | 64 | Low | 67 | Low | 129 Ų | 129 | 106.8 Ų | 106.8 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -41.3 | 175.1 | -172.2 | 176.1 | 0.4 | 0 | 0 | 112 | Y380 Q381 N382 N387 E388 | Y380-Q384 WeakPolarHBondContact O-CB 3.41Å; Y380-Q384 PolarHBondContact O-N 3.41Å; Q381-Q384 PolarHBondContact O-N 3.04Å; N382-Q384 VanDerWaalsContact C-N 3.28Å; N382-Q384 PolarHBondContact O-N 3Å; Q384-N387 PolarHBondContact O-N 3.17Å; Q384-E388 PolarHBondContact O-N 2.85Å |
| 385 | Q | 62.8 | Low | 67.3 | Low | 122 Ų | 122 | 105.7 Ų | 105.7 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 175.2 | -71.8 | -179.1 | 12.2 | 0 | 0 | 112 | Q381 N382 N387 E388 H389 | Q381-Q385 WeakPolarHBondContact O-CG 3.49Å; Q381-Q385 PolarHBondContact O-N 3.26Å; N382-Q385 PolarHBondContact O-N 3.33Å; Q385-N387 PolarHBondContact O-N 3.3Å; Q385-E388 PolarHBondContact O-N 3.19Å; Q385-H389 WeakPolarHBondContact O-CB 3.4Å; Q385-H389 PolarHBondContact O-N 3.46Å |
| 386 | E | 68.2 | Low | 67.3 | Low | 132 Ų | 132 | 105.8 Ų | 105.8 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 173.3 | -73.1 | -172.6 | 163.7 | 0 | 0 | 111.9 | N382 H389 L390 | N382-E386 PolarHBondContact O-N 3.23Å; E386-H389 PolarHBondContact O-N 3.27Å; E386-L390 WeakPolarHBondContact O-CB 3.4Å; E386-L390 PolarHBondContact O-N 3.01Å |
| 387 | N | 67.8 | Low | 67.3 | Low | 92 Ų | 92 | 104.4 Ų | 104.4 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 177.6 | -84.3 | -75.1 | 0 | 0 | 0 | 113 | I383 Q384 Q385 L390 K391 | I383-N387 WeakPolarHBondContact O-CB 3.33Å; I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 3.27Å; Q384-N387 PolarHBondContact O-N 3.17Å; Q385-N387 PolarHBondContact O-N 3.3Å; N387-L390 PolarHBondContact O-N 2.92Å; N387-K391 VanDerWaalsContact O-CB 3.27Å; N387-K391 WeakPolarHBondContact O-CB 3.43Å; N387-K391 PolarHBondContact O-N 3.38Å |
| 388 | E | 67.6 | Low | 67.5 | Low | 75 Ų | 75 | 105 Ų | 105 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 173.4 | -75.3 | -60.7 | 150.7 | 0 | 0 | 111.9 | Q384 Q385 L390 K391 I392 | Q384-E388 PolarHBondContact O-N 2.85Å; Q385-E388 PolarHBondContact O-N 3.19Å; E388-L390 PolarHBondContact O-N 2.8Å; E388-K391 PolarHBondContact O-N 3.28Å; E388-K391 IonicContact OE1-NZ 3.1Å; E388-K391 PolarHBondContact OE1-NZ 3.48Å; E388-K391 IonicContact OE2-NZ 2.63Å; E388-K391 PolarHBondContact OE2-NZ 2.81Å; E388-I392 WeakPolarHBondContact O-CB 3.45Å; E388-I392 VanDerWaalsContact O-CG1 3.25Å; E388-I392 WeakPolarHBondContact O-CG1 3.46Å; E388-I392 PolarHBondContact O-N 2.71Å |
| 389 | H | 66.8 | Low | 67.6 | Low | 143 Ų | 143 | 103.5 Ų | 103.5 | 66% | 0.662 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 170.2 | -98.8 | -76 | 0 | 0 | 0 | 112.4 | Q385 E386 Y393 | Q385-H389 WeakPolarHBondContact O-CB 3.4Å; Q385-H389 PolarHBondContact O-N 3.46Å; E386-H389 PolarHBondContact O-N 3.27Å; H389-Y393 WeakPolarHBondContact O-CB 3.44Å; H389-Y393 PolarHBondContact O-N 2.86Å |
| 390 | L | 70.8 | Confident | 67.6 | Low | 86 Ų | 86 | 106.4 Ų | 106.4 | 45% | 0.45 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 173.4 | -90.1 | 154.3 | 0 | 0 | 0 | 112.1 | E386 N387 E388 Y393 Y394 | E386-L390 WeakPolarHBondContact O-CB 3.4Å; E386-L390 PolarHBondContact O-N 3.01Å; N387-L390 PolarHBondContact O-N 2.92Å; E388-L390 PolarHBondContact O-N 2.8Å; L390-Y393 WeakPolarHBondContact O-CB 3.45Å; L390-Y393 PolarHBondContact O-N 3.45Å; L390-Y394 HydrophobicContact CD2-CE2 3.93Å; L390-Y394 WeakPolarHBondContact O-CD2 3.4Å; L390-Y394 PolarHBondContact O-N 3.44Å |
| 391 | K | 72.7 | Confident | 67.9 | Low | 121 Ų | 121 | 104.3 Ų | 104.3 | 53% | 0.526 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 177.4 | 176.5 | 164.5 | 155.4 | -109.2 | 0 | 111.8 | N387 E388 Y393 Y394 Q395 | N387-K391 VanDerWaalsContact O-CB 3.27Å; N387-K391 WeakPolarHBondContact O-CB 3.43Å; N387-K391 PolarHBondContact O-N 3.38Å; E388-K391 PolarHBondContact O-N 3.28Å; E388-K391 IonicContact OE1-NZ 3.1Å; E388-K391 PolarHBondContact OE1-NZ 3.48Å; E388-K391 IonicContact OE2-NZ 2.63Å; E388-K391 PolarHBondContact OE2-NZ 2.81Å; K391-Y393 VanDerWaalsContact C-N 3.35Å; K391-Y394 PolarHBondContact O-N 2.7Å; K391-Q395 VanDerWaalsContact O-CB 3.28Å; K391-Q395 WeakPolarHBondContact O-CB 3.49Å; K391-Q395 PolarHBondContact O-N 3.01Å |
| 392 | I | 71.6 | Confident | 67.9 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 172.6 | -69.4 | 165.3 | 0 | 0 | 0 | 111 | E388 N396 | E388-I392 WeakPolarHBondContact O-CB 3.45Å; E388-I392 VanDerWaalsContact O-CG1 3.25Å; E388-I392 WeakPolarHBondContact O-CG1 3.46Å; E388-I392 PolarHBondContact O-N 2.71Å; I392-N396 WeakPolarHBondContact O-CB 3.24Å; I392-N396 PolarHBondContact O-N 2.9Å; I392-N396 PolarHBondContact O-ND2 3.32Å |
| 393 | Y | 70.3 | Confident | 67.9 | Low | 149 Ų | 149 | 107 Ų | 107 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -49.1 | 175.1 | 176.7 | -97.6 | 0 | 0 | 0 | 111.9 | H389 L390 K391 N396 L397 | H389-Y393 WeakPolarHBondContact O-CB 3.44Å; H389-Y393 PolarHBondContact O-N 2.86Å; L390-Y393 WeakPolarHBondContact O-CB 3.45Å; L390-Y393 PolarHBondContact O-N 3.45Å; K391-Y393 VanDerWaalsContact C-N 3.35Å; Y393-N396 PolarHBondContact O-N 2.78Å; Y393-L397 WeakPolarHBondContact O-CB 3.43Å; Y393-L397 PolarHBondContact O-N 2.79Å |
| 394 | Y | 61.8 | Low | 67.6 | Low | 139 Ų | 139 | 110 Ų | 110 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 176.8 | -78.9 | -61.8 | 0 | 0 | 0 | 112.8 | L390 K391 L397 F398 | L390-Y394 HydrophobicContact CD2-CE2 3.93Å; L390-Y394 WeakPolarHBondContact O-CD2 3.4Å; L390-Y394 PolarHBondContact O-N 3.44Å; K391-Y394 PolarHBondContact O-N 2.7Å; Y394-L397 PolarHBondContact O-N 2.73Å; Y394-F398 WeakPolarHBondContact O-CB 3.49Å; Y394-F398 PolarHBondContact O-N 3.46Å |
| 395 | Q | 69.6 | Low | 67.5 | Low | 99 Ų | 99 | 109.5 Ų | 109.5 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 175.4 | -171.3 | 62 | 47.5 | 0 | 0 | 111.3 | K391 F398 N399 | K391-Q395 VanDerWaalsContact O-CB 3.28Å; K391-Q395 WeakPolarHBondContact O-CB 3.49Å; K391-Q395 PolarHBondContact O-N 3.01Å; Q395-F398 PolarHBondContact O-N 2.83Å; Q395-N399 PolarHBondContact NE2-OD1 3.38Å; Q395-N399 VanDerWaalsContact O-CB 3.29Å; Q395-N399 WeakPolarHBondContact O-CB 3.41Å; Q395-N399 PolarHBondContact O-N 3.33Å; Q395-N399 PolarHBondContact O-ND2 2.84Å; Q395-N399 PolarHBondContact O-OD1 3.11Å |
| 396 | N | 70.7 | Confident | 67.4 | Low | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 173.6 | -85.2 | -54.2 | 0 | 0 | 0 | 112.3 | I392 Y393 N399 Q400 | I392-N396 WeakPolarHBondContact O-CB 3.24Å; I392-N396 PolarHBondContact O-N 2.9Å; I392-N396 PolarHBondContact O-ND2 3.32Å; Y393-N396 PolarHBondContact O-N 2.78Å; N396-N399 PolarHBondContact O-N 3.29Å; N396-Q400 WeakPolarHBondContact O-CB 3.25Å; N396-Q400 VanDerWaalsContact O-CG 3.29Å; N396-Q400 WeakPolarHBondContact O-CG 3.49Å; N396-Q400 PolarHBondContact O-N 2.85Å |
| 397 | L | 68.6 | Low | 67 | Low | 60 Ų | 60 | 103.9 Ų | 103.9 | 31% | 0.314 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 174.8 | -172.4 | 65.4 | 0 | 0 | 0 | 111.5 | Y393 Y394 Q400 I401 | Y393-L397 WeakPolarHBondContact O-CB 3.43Å; Y393-L397 PolarHBondContact O-N 2.79Å; Y394-L397 PolarHBondContact O-N 2.73Å; L397-Q400 PolarHBondContact O-N 2.92Å; L397-I401 HydrophobicContact CG-CD1 4.23Å; L397-I401 VanDerWaalsContact O-CG1 3.32Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.21Å |
| 398 | F | 68.5 | Low | 66.3 | Low | 122 Ų | 122 | 103 Ų | 103 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.6 | -173.2 | -92.6 | 0 | 0 | 0 | 111.7 | Y394 Q395 Q400 I401 H402 | Y394-F398 WeakPolarHBondContact O-CB 3.49Å; Y394-F398 PolarHBondContact O-N 3.46Å; Q395-F398 PolarHBondContact O-N 2.83Å; F398-Q400 VanDerWaalsContact C-N 3.32Å; F398-Q400 PolarHBondContact O-N 2.83Å; F398-I401 PolarHBondContact O-N 3.36Å; F398-H402 WeakPolarHBondContact O-CB 3.49Å; F398-H402 PolarHBondContact O-N 2.88Å |
| 399 | N | 69.5 | Low | 65.5 | Low | 81 Ų | 81 | 107.6 Ų | 107.6 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 175.8 | -71.1 | -9.4 | 0 | 0 | 0 | 111.6 | Q395 N396 H402 K403 | Q395-N399 PolarHBondContact NE2-OD1 3.38Å; Q395-N399 VanDerWaalsContact O-CB 3.29Å; Q395-N399 WeakPolarHBondContact O-CB 3.41Å; Q395-N399 PolarHBondContact O-N 3.33Å; Q395-N399 PolarHBondContact O-ND2 2.84Å; Q395-N399 PolarHBondContact O-OD1 3.11Å; N396-N399 PolarHBondContact O-N 3.29Å; N399-H402 PolarHBondContact O-N 3.31Å; N399-K403 VanDerWaalsContact O-CB 3.24Å; N399-K403 WeakPolarHBondContact O-CB 3.41Å; N399-K403 PolarHBondContact O-N 3.3Å |
| 400 | Q | 71.2 | Confident | 64.8 | Low | 128 Ų | 128 | 106.4 Ų | 106.4 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | 173.6 | -74.5 | 174.9 | 40.4 | 0 | 0 | 111.9 | N396 L397 F398 K403 F404 | N396-Q400 WeakPolarHBondContact O-CB 3.25Å; N396-Q400 VanDerWaalsContact O-CG 3.29Å; N396-Q400 WeakPolarHBondContact O-CG 3.49Å; N396-Q400 PolarHBondContact O-N 2.85Å; L397-Q400 PolarHBondContact O-N 2.92Å; F398-Q400 VanDerWaalsContact C-N 3.32Å; F398-Q400 PolarHBondContact O-N 2.83Å; Q400-K403 PolarHBondContact O-N 3.24Å; Q400-F404 WeakPolarHBondContact O-CB 3.46Å; Q400-F404 PolarHBondContact O-N 3.31Å |
| 401 | I | 61.6 | Low | 63.5 | Low | 79 Ų | 79 | 105.8 Ų | 105.8 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176 | -69 | 165.2 | 0 | 0 | 0 | 110.9 | L397 F398 F404 K405 I454 | L397-I401 HydrophobicContact CG-CD1 4.23Å; L397-I401 VanDerWaalsContact O-CG1 3.32Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.21Å; F398-I401 PolarHBondContact O-N 3.36Å; I401-F404 PolarHBondContact O-N 2.88Å; I401-K405 VanDerWaalsContact O-CB 3.29Å; I401-K405 WeakPolarHBondContact O-CB 3.32Å; I401-K405 PolarHBondContact O-N 2.93Å; I401-I454 HydrophobicContact CD1-CD1 4.4Å |
| 402 | H | 66.6 | Low | 62.1 | Low | 95 Ų | 95 | 106 Ų | 106 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.6 | -34.2 | -179.8 | -147 | -87.6 | 0 | 0 | 0 | 112.1 | F398 N399 S406 | F398-H402 WeakPolarHBondContact O-CB 3.49Å; F398-H402 PolarHBondContact O-N 2.88Å; N399-H402 PolarHBondContact O-N 3.31Å; H402-S406 VanDerWaalsContact O-CB 3.31Å; H402-S406 WeakPolarHBondContact O-CB 3.23Å; H402-S406 PolarHBondContact O-N 2.88Å |
| 403 | K | 68.4 | Low | 60.7 | Low | 138 Ų | 138 | 107.4 Ų | 107.4 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -48.6 | 169.6 | -176.2 | 170 | -179.2 | 176.3 | 0 | 111.4 | N399 Q400 K405 S406 D407 | N399-K403 VanDerWaalsContact O-CB 3.24Å; N399-K403 WeakPolarHBondContact O-CB 3.41Å; N399-K403 PolarHBondContact O-N 3.3Å; Q400-K403 PolarHBondContact O-N 3.24Å; K403-K405 VanDerWaalsContact C-N 3.31Å; K403-K405 PolarHBondContact O-N 2.75Å; K403-S406 CarbonylContact O-C 3.34Å; K403-S406 WeakPolarHBondContact O-CA 3.48Å; K403-S406 WeakPolarHBondContact O-CB 3.31Å; K403-S406 PolarHBondContact O-N 2.7Å; K403-D407 WeakPolarHBondContact O-CB 3.16Å; K403-D407 VanDerWaalsContact O-CG 3.31Å; K403-D407 PolarHBondContact O-N 2.88Å |
| 404 | F | 61.2 | Low | 59.6 | Low | 146 Ų | 146 | 108.4 Ų | 108.4 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 177.4 | -161.8 | -106 | 0 | 0 | 0 | 112.1 | Q400 I401 I408 | Q400-F404 WeakPolarHBondContact O-CB 3.46Å; Q400-F404 PolarHBondContact O-N 3.31Å; I401-F404 PolarHBondContact O-N 2.88Å; F404-I408 HydrophobicContact CD1-CD1 3.68Å; F404-I408 HydrophobicContact CE1-CD1 3.6Å; F404-I408 HydrophobicContact CZ-CD1 4.35Å; F404-I408 WeakPolarHBondContact O-CB 3.14Å; F404-I408 VanDerWaalsContact O-CG1 3.28Å; F404-I408 WeakPolarHBondContact O-CG1 3.46Å; F404-I408 PolarHBondContact O-N 3.44Å |
| 405 | K | 60.4 | Low | 58.9 | Low | 117 Ų | 117 | 108.4 Ų | 108.4 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 171.3 | -178.5 | -174 | 174.2 | -167.3 | 0 | 112.1 | I401 K403 F409 | I401-K405 VanDerWaalsContact O-CB 3.29Å; I401-K405 WeakPolarHBondContact O-CB 3.32Å; I401-K405 PolarHBondContact O-N 2.93Å; K403-K405 VanDerWaalsContact C-N 3.31Å; K403-K405 PolarHBondContact O-N 2.75Å; K405-F409 PolarHBondContact O-N 2.92Å |
| 406 | S | 60.8 | Low | 57.7 | Low | 50 Ų | 50 | 107.6 Ų | 107.6 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 176.8 | -171 | 0 | 0 | 0 | 0 | 112 | H402 K403 I408 F409 N410 | H402-S406 VanDerWaalsContact O-CB 3.31Å; H402-S406 WeakPolarHBondContact O-CB 3.23Å; H402-S406 PolarHBondContact O-N 2.88Å; K403-S406 CarbonylContact O-C 3.34Å; K403-S406 WeakPolarHBondContact O-CA 3.48Å; K403-S406 WeakPolarHBondContact O-CB 3.31Å; K403-S406 PolarHBondContact O-N 2.7Å; S406-I408 VanDerWaalsContact C-N 3.32Å; S406-I408 PolarHBondContact O-N 3.42Å; S406-F409 PolarHBondContact O-N 3.28Å; S406-N410 VanDerWaalsContact O-CB 3.24Å; S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 2.92Å; S406-N410 PolarHBondContact O-ND2 3.14Å; S406-N410 PolarHBondContact OG-ND2 3.01Å; S406-N410 VanDerWaalsContact OG-ND2 3.09Å |
| 407 | D | 61.2 | Low | 56.6 | Low | 87 Ų | 87 | 110 Ų | 110 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.2 | -68 | -28.1 | 0 | 0 | 0 | 110.7 | K403 L411 | K403-D407 WeakPolarHBondContact O-CB 3.16Å; K403-D407 VanDerWaalsContact O-CG 3.31Å; K403-D407 PolarHBondContact O-N 2.88Å; D407-L411 WeakPolarHBondContact O-CG 3.35Å; D407-L411 PolarHBondContact O-N 2.75Å |
| 408 | I | 53.3 | Low | 55.6 | Low | 72 Ų | 72 | 113.4 Ų | 113.4 | 37% | 0.369 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 172.7 | -73.2 | 169.7 | 0 | 0 | 0 | 112.2 | F404 S406 | F404-I408 HydrophobicContact CD1-CD1 3.68Å; F404-I408 HydrophobicContact CE1-CD1 3.6Å; F404-I408 HydrophobicContact CZ-CD1 4.35Å; F404-I408 WeakPolarHBondContact O-CB 3.14Å; F404-I408 VanDerWaalsContact O-CG1 3.28Å; F404-I408 WeakPolarHBondContact O-CG1 3.46Å; F404-I408 PolarHBondContact O-N 3.44Å; S406-I408 VanDerWaalsContact C-N 3.32Å; S406-I408 PolarHBondContact O-N 3.42Å |
| 409 | F | 50.5 | Low | 54.3 | Low | 172 Ų | 172 | 113.7 Ų | 113.7 | 75% | 0.754 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.6 | -29.1 | 178.5 | -110.1 | -96.4 | 0 | 0 | 0 | 113.3 | K405 S406 L411 | K405-F409 PolarHBondContact O-N 2.92Å; S406-F409 PolarHBondContact O-N 3.28Å; F409-L411 VanDerWaalsContact C-N 3.31Å |
| 410 | N | 51.6 | Low | 52.7 | Low | 119 Ų | 119 | 117.9 Ų | 117.9 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 4.7 | 177.4 | -74.3 | -60.2 | 0 | 0 | 0 | 113.8 | S406 N412 | S406-N410 VanDerWaalsContact O-CB 3.24Å; S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 2.92Å; S406-N410 PolarHBondContact O-ND2 3.14Å; S406-N410 PolarHBondContact OG-ND2 3.01Å; S406-N410 VanDerWaalsContact OG-ND2 3.09Å; N410-N412 PolarHBondContact O-N 3.09Å |
| 411 | L | 44.5 | Very low | 51.1 | Low | 72 Ų | 72 | 117.2 Ų | 117.2 | 38% | 0.377 | 57% | 0.572 | S | S | . | * | trans | -69.8 | 61.8 | 161.7 | -80.1 | 168.9 | 0 | 0 | 0 | 111 | D407 F409 L416 L419 | D407-L411 WeakPolarHBondContact O-CG 3.35Å; D407-L411 PolarHBondContact O-N 2.75Å; F409-L411 VanDerWaalsContact C-N 3.31Å; L411-L416 HydrophobicContact CB-CD1 4.33Å; L411-L419 HydrophobicContact CD2-CD1 4.15Å | ||
| 412 | N | 42.1 | Very low | 50.3 | Low | 125 Ų | 125 | 120 Ų | 120 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | trans | -60.8 | 138.8 | 177.2 | -156.5 | -27.3 | 0 | 0 | 0 | 109.5 | N410 K414 K415 | N410-N412 PolarHBondContact O-N 3.09Å; N412-K414 PolarHBondContact O-N 3.4Å; N412-K415 PolarHBondContact O-N 2.91Å | ||
| 413 | N | 43 | Very low | 48.7 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 65% | 0.652 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -49.5 | -24.7 | -159.6 | -79.2 | -53.5 | 0 | 0 | 0 | 115.9 | I417 | N413-I417 WeakPolarHBondContact O-CD1 3.44Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å |
| 414 | K | 47.1 | Very low | 47.1 | Very low | 170 Ų | 170 | 124 Ų | 124 | 74% | 0.739 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.1 | -34.6 | 179.7 | -151.7 | 171.7 | -175.4 | -179.9 | 0 | 114 | N412 | N412-K414 PolarHBondContact O-N 3.4Å |
| 415 | K | 46.4 | Very low | 45.7 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -87 | -24.8 | 177 | -78.8 | -172.3 | 173.5 | -177.6 | 0 | 113.6 | N412 I417 E418 L419 | N412-K415 PolarHBondContact O-N 2.91Å; K415-I417 PolarHBondContact O-N 3.43Å; K415-E418 PolarHBondContact O-N 2.83Å; K415-L419 PolarHBondContact O-N 2.88Å; K415-L419 VanDerWaalsContact O-N 3.16Å |
| 416 | L | 44.5 | Very low | 44.6 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 43% | 0.429 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.4 | -27.7 | 171.3 | -117 | 164.5 | 0 | 0 | 0 | 112 | L411 | L411-L416 HydrophobicContact CB-CD1 4.33Å |
| 417 | I | 48.6 | Very low | 43.1 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -31.4 | 173.3 | -67.3 | 165.6 | 0 | 0 | 0 | 112.1 | N413 K415 | N413-I417 WeakPolarHBondContact O-CD1 3.44Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; K415-I417 PolarHBondContact O-N 3.43Å |
| 418 | E | 46.7 | Very low | 41.9 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 62% | 0.617 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -20.6 | -177.2 | -66.4 | 175.2 | 154 | 0 | 0 | 113.2 | K415 P421 | K415-E418 PolarHBondContact O-N 2.83Å; E418-P421 WeakPolarHBondContact O-CD 3.4Å |
| 419 | L | 41.4 | Very low | 41.3 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 5.3 | -178.8 | -71.8 | 171.3 | 0 | 0 | 0 | 115 | L411 K415 | L411-L419 HydrophobicContact CD2-CD1 4.15Å; K415-L419 PolarHBondContact O-N 2.88Å; K415-L419 VanDerWaalsContact O-N 3.16Å |
| 420 | Y | 35.8 | Very low | 40.4 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 66% | 0.659 | 68% | 0.677 | S | S | * | * | trans | -92.3 | 3.6 | -178.9 | -146.7 | -100.9 | 0 | 0 | 0 | 118.8 | I422 | Y420-I422 PolarHBondContact O-N 3.25Š| ||
| 421 | P | 37.8 | Very low | 39.3 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 45.5 | -169.4 | 37 | -39 | 0 | 0 | 0 | 114.6 | E418 | E418-P421 WeakPolarHBondContact O-CD 3.4Š|
| 422 | I | 44.2 | Very low | 39.1 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | -15.7 | -176.5 | -64.4 | -177.3 | 0 | 0 | 0 | 113.7 | Y420 | Y420-I422 PolarHBondContact O-N 3.25Š|
| 423 | F | 33.6 | Very low | 38.8 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -114.7 | 106.1 | 176.4 | -80.7 | -84.7 | 0 | 0 | 0 | 113 | ||
| 424 | N | 33.7 | Very low | 39 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | trans | -60.4 | 140.8 | -170 | -83.9 | -2.6 | 0 | 0 | 0 | 117.2 | S426 | N424-S426 PolarHBondContact O-N 3.4Š| ||
| 425 | D | 32.9 | Very low | 39 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | S | Bend | 41.2 | 49.7 | 127.6 | -59.2 | -10.9 | 0 | 0 | 0 | 119.3 | |||
| 426 | S | 36.2 | Very low | 39.1 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | -158.8 | 160 | 159.7 | -162.9 | 0 | 0 | 0 | 0 | 112.9 | N424 | N424-S426 PolarHBondContact O-N 3.4Š| ||
| 427 | M | 30.7 | Very low | 39.4 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | trans | 62.6 | 45.4 | 169.2 | -60.2 | -60 | -167.4 | 0 | 0 | 118.1 | S429 | M427-S429 PolarHBondContact O-N 3.25Š| ||
| 428 | N | 36.3 | Very low | 39.6 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 96% | 0.957 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 46.3 | 168.6 | -149.5 | -3.1 | 0 | 0 | 0 | 112.7 | ||
| 429 | S | 39.6 | Very low | 39.9 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.4 | -5.9 | -170 | 62.5 | 0 | 0 | 0 | 0 | 116.4 | M427 | M427-S429 PolarHBondContact O-N 3.25Š|
| 430 | L | 30.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 65% | 0.654 | 67% | 0.667 | S | S | * | * | trans | -112.6 | 86.4 | 172.4 | -105.5 | 81.9 | 0 | 0 | 0 | 112 | N432 | L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 2.97Å | ||
| 431 | F | 30.2 | Very low | 42.2 | Very low | 222 Ų | 222 | 127.5 Ų | 127.5 | 97% | 0.974 | 66% | 0.659 | S | S | * | * | trans | -69.1 | 86.9 | 160.8 | -150.5 | -81.7 | 0 | 0 | 0 | 107.9 | ||||
| 432 | N | 39.2 | Very low | 43.4 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 37% | 0.369 | 65% | 0.648 | S | S | . | * | trans | -122.1 | 118 | -174.6 | -165.3 | 3.8 | 0 | 0 | 0 | 112.5 | L430 Q434 N435 | L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 2.97Å; N432-Q434 PolarHBondContact O-N 3.41Å; N432-Q434 VanDerWaalsContact O-N 3.13Å; N432-Q434 PolarHBondContact OD1-N 3.13Å; N432-N435 PolarHBondContact O-N 3.16Å; N432-N435 VanDerWaalsContact O-N 3.12Å | ||
| 433 | I | 35.3 | Very low | 44 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 66% | 0.662 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -31.4 | -180 | -66 | 167.2 | 0 | 0 | 0 | 111.5 | N435 L436 E437 | I433-N435 PolarHBondContact O-N 3.05Å; I433-L436 PolarHBondContact O-N 3.34Å; I433-E437 PolarHBondContact O-N 2.99Å |
| 434 | Q | 47.8 | Very low | 45.6 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -48.3 | -31.2 | 175.3 | -135.5 | 95.2 | 74.9 | 0 | 0 | 114.1 | N432 E437 N438 | N432-Q434 PolarHBondContact O-N 3.41Å; N432-Q434 VanDerWaalsContact O-N 3.13Å; N432-Q434 PolarHBondContact OD1-N 3.13Å; Q434-E437 PolarHBondContact NE2-OE2 2.84Å; Q434-E437 PolarHBondContact O-N 3.23Å; Q434-N438 WeakPolarHBondContact O-CB 3.25Å; Q434-N438 PolarHBondContact O-N 2.97Å; Q434-N438 PolarHBondContact O-ND2 3.15Å; Q434-N438 VanDerWaalsContact O-ND2 3.14Å |
| 435 | N | 47.2 | Very low | 47.4 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.2 | -26.5 | -177.7 | -75.6 | -9.6 | 0 | 0 | 0 | 113.6 | N432 I433 F439 | N432-N435 PolarHBondContact O-N 3.16Å; N432-N435 VanDerWaalsContact O-N 3.12Å; I433-N435 PolarHBondContact O-N 3.05Å; N435-F439 PolarHBondContact O-N 3.05Å; N435-F439 VanDerWaalsContact O-N 3.16Å |
| 436 | L | 47.7 | Very low | 48.9 | Very low | 143 Ų | 143 | 113.5 Ų | 113.5 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.4 | -38.2 | 165.9 | -94.5 | 80 | 0 | 0 | 0 | 110.8 | I433 F439 K440 | I433-L436 PolarHBondContact O-N 3.34Å; L436-F439 PolarHBondContact O-N 3.45Å; L436-K440 WeakPolarHBondContact O-CB 3.48Å; L436-K440 PolarHBondContact O-N 3.43Å |
| 437 | E | 52.3 | Low | 50.4 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.1 | -44.5 | 173.3 | -76.1 | -177.9 | 136.6 | 0 | 0 | 111.8 | I433 Q434 F439 K440 L441 | I433-E437 PolarHBondContact O-N 2.99Å; Q434-E437 PolarHBondContact NE2-OE2 2.84Å; Q434-E437 PolarHBondContact O-N 3.23Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 PolarHBondContact O-N 3.32Å; E437-K440 PolarHBondContact O-N 3.18Å; E437-L441 VanDerWaalsContact O-CB 3.27Å; E437-L441 WeakPolarHBondContact O-CB 3.45Å; E437-L441 PolarHBondContact O-N 2.9Å |
| 438 | N | 51.5 | Low | 52.3 | Low | 87 Ų | 87 | 113.8 Ų | 113.8 | 47% | 0.465 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.1 | -38.7 | 175.7 | -73.4 | -28.7 | 0 | 0 | 0 | 112.1 | Q434 F442 | Q434-N438 WeakPolarHBondContact O-CB 3.25Å; Q434-N438 PolarHBondContact O-N 2.97Å; Q434-N438 PolarHBondContact O-ND2 3.15Å; Q434-N438 VanDerWaalsContact O-ND2 3.14Å; N438-F442 VanDerWaalsContact O-CB 3.29Å; N438-F442 WeakPolarHBondContact O-CB 3.33Å; N438-F442 PolarHBondContact O-N 3.14Å |
| 439 | F | 53.6 | Low | 53.8 | Low | 130 Ų | 130 | 109.4 Ų | 109.4 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.6 | -42 | 175.2 | -171.6 | -101.6 | 0 | 0 | 0 | 111.8 | N435 L436 E437 F442 I443 | N435-F439 PolarHBondContact O-N 3.05Å; N435-F439 VanDerWaalsContact O-N 3.16Å; L436-F439 PolarHBondContact O-N 3.45Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 PolarHBondContact O-N 3.32Å; F439-F442 PolarHBondContact O-N 3.42Å; F439-I443 HydrophobicContact CD1-CG1 4.36Å; F439-I443 HydrophobicContact CE1-CD1 4.44Å; F439-I443 HydrophobicContact CE1-CG1 4.07Å; F439-I443 HydrophobicContact CZ-CD1 4.35Å; F439-I443 HydrophobicContact CZ-CG1 4.38Å; F439-I443 WeakPolarHBondContact O-CG1 3.48Å; F439-I443 PolarHBondContact O-N 2.93Å |
| 440 | K | 57.8 | Low | 54.7 | Low | 126 Ų | 126 | 108.5 Ų | 108.5 | 55% | 0.548 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 173.5 | -177.3 | 173.8 | -177.8 | -79.1 | 0 | 111.7 | L436 E437 F442 I443 E444 | L436-K440 WeakPolarHBondContact O-CB 3.48Å; L436-K440 PolarHBondContact O-N 3.43Å; E437-K440 PolarHBondContact O-N 3.18Å; K440-F442 VanDerWaalsContact C-N 3.34Å; K440-F442 PolarHBondContact O-N 2.96Å; K440-I443 PolarHBondContact O-N 3.43Å; K440-E444 WeakPolarHBondContact CE-OE1 3.39Å; K440-E444 IonicContact NZ-OE1 3.57Å; K440-E444 PolarHBondContact NZ-OE1 3.35Å; K440-E444 WeakPolarHBondContact O-CB 3.14Å; K440-E444 WeakPolarHBondContact O-CG 3.2Å; K440-E444 PolarHBondContact O-N 3.12Å |
| 441 | L | 67.9 | Low | 56.4 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -35.3 | 177.3 | -166.3 | 73.5 | 0 | 0 | 0 | 111.8 | E437 E444 L445 | E437-L441 VanDerWaalsContact O-CB 3.27Å; E437-L441 WeakPolarHBondContact O-CB 3.45Å; E437-L441 PolarHBondContact O-N 2.9Å; L441-E444 PolarHBondContact O-N 2.71Å; L441-L445 HydrophobicContact CG-CD1 4.32Å; L441-L445 VanDerWaalsContact O-CB 3.32Å; L441-L445 WeakPolarHBondContact O-CB 3.39Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.39Å; L441-L445 PolarHBondContact O-N 3.03Å |
| 442 | F | 63.4 | Low | 58.4 | Low | 118 Ų | 118 | 100.6 Ų | 100.6 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 173.2 | 179.1 | -107 | 0 | 0 | 0 | 112.2 | N438 F439 K440 L445 L446 | N438-F442 VanDerWaalsContact O-CB 3.29Å; N438-F442 WeakPolarHBondContact O-CB 3.33Å; N438-F442 PolarHBondContact O-N 3.14Å; F439-F442 PolarHBondContact O-N 3.42Å; K440-F442 VanDerWaalsContact C-N 3.34Å; K440-F442 PolarHBondContact O-N 2.96Å; F442-L445 PolarHBondContact O-N 3.28Å; F442-L446 HydrophobicContact CD1-CD1 3.97Å; F442-L446 HydrophobicContact CE1-CD1 3.47Å; F442-L446 VanDerWaalsContact CE1-CD1 3.47Å; F442-L446 HydrophobicContact CE1-CG 4.46Å; F442-L446 HydrophobicContact CE2-CD1 4.29Å; F442-L446 HydrophobicContact CZ-CD1 3.66Å; F442-L446 HydrophobicContact CZ-CG 4.32Å; F442-L446 WeakPolarHBondContact O-CB 3.17Å; F442-L446 WeakPolarHBondContact O-CG 3.26Å; F442-L446 PolarHBondContact O-N 3.11Å |
| 443 | I | 56.6 | Low | 59.2 | Low | 48 Ų | 48 | 100.7 Ų | 100.7 | 25% | 0.246 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 171.9 | -66.8 | -70.4 | 0 | 0 | 0 | 111.1 | F439 K440 L446 L447 | F439-I443 HydrophobicContact CD1-CG1 4.36Å; F439-I443 HydrophobicContact CE1-CD1 4.44Å; F439-I443 HydrophobicContact CE1-CG1 4.07Å; F439-I443 HydrophobicContact CZ-CD1 4.35Å; F439-I443 HydrophobicContact CZ-CG1 4.38Å; F439-I443 WeakPolarHBondContact O-CG1 3.48Å; F439-I443 PolarHBondContact O-N 2.93Å; K440-I443 PolarHBondContact O-N 3.43Å; I443-L446 PolarHBondContact O-N 3.49Å; I443-L447 HydrophobicContact CG2-CD1 3.95Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 WeakPolarHBondContact O-CG 3.28Å; I443-L447 PolarHBondContact O-N 3.33Å |
| 444 | E | 67.3 | Low | 60 | Low | 90 Ų | 90 | 97.9 Ų | 97.9 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176 | -75.6 | 171.2 | -179.2 | 0 | 0 | 112.2 | K440 L441 Y448 | K440-E444 WeakPolarHBondContact CE-OE1 3.39Å; K440-E444 IonicContact NZ-OE1 3.57Å; K440-E444 PolarHBondContact NZ-OE1 3.35Å; K440-E444 WeakPolarHBondContact O-CB 3.14Å; K440-E444 WeakPolarHBondContact O-CG 3.2Å; K440-E444 PolarHBondContact O-N 3.12Å; L441-E444 PolarHBondContact O-N 2.71Å; E444-Y448 VanDerWaalsContact O-CB 3.29Å; E444-Y448 WeakPolarHBondContact O-CB 3.48Å; E444-Y448 PolarHBondContact O-N 3.49Å |
| 445 | L | 71.1 | Confident | 60.3 | Low | 93 Ų | 93 | 99.5 Ų | 99.5 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 174.2 | -78.2 | 165.5 | 0 | 0 | 0 | 112.3 | L441 F442 L447 Y448 D449 | L441-L445 HydrophobicContact CG-CD1 4.32Å; L441-L445 VanDerWaalsContact O-CB 3.32Å; L441-L445 WeakPolarHBondContact O-CB 3.39Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.39Å; L441-L445 PolarHBondContact O-N 3.03Å; F442-L445 PolarHBondContact O-N 3.28Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.48Å; L445-Y448 PolarHBondContact O-N 2.95Å; L445-D449 PolarHBondContact O-N 3.49Å |
| 446 | L | 64.9 | Low | 60.3 | Low | 85 Ų | 85 | 99.7 Ų | 99.7 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175 | -82.4 | 171.6 | 0 | 0 | 0 | 112 | F442 I443 T450 | F442-L446 HydrophobicContact CD1-CD1 3.97Å; F442-L446 HydrophobicContact CE1-CD1 3.47Å; F442-L446 VanDerWaalsContact CE1-CD1 3.47Å; F442-L446 HydrophobicContact CE1-CG 4.46Å; F442-L446 HydrophobicContact CE2-CD1 4.29Å; F442-L446 HydrophobicContact CZ-CD1 3.66Å; F442-L446 HydrophobicContact CZ-CG 4.32Å; F442-L446 WeakPolarHBondContact O-CB 3.17Å; F442-L446 WeakPolarHBondContact O-CG 3.26Å; F442-L446 PolarHBondContact O-N 3.11Å; I443-L446 PolarHBondContact O-N 3.49Å; L446-T450 VanDerWaalsContact O-CB 3.24Å; L446-T450 WeakPolarHBondContact O-CB 3.32Å; L446-T450 PolarHBondContact O-N 2.56Å; L446-T450 PolarHBondContact O-OG1 3.38Å |
| 447 | L | 66.4 | Low | 60 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 173.3 | -76.3 | 167.5 | 0 | 0 | 0 | 111.4 | I443 L445 T450 L451 | I443-L447 HydrophobicContact CG2-CD1 3.95Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 WeakPolarHBondContact O-CG 3.28Å; I443-L447 PolarHBondContact O-N 3.33Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.48Å; L447-T450 PolarHBondContact O-N 3.42Å; L447-L451 VanDerWaalsContact O-CB 3.28Å; L447-L451 WeakPolarHBondContact O-CB 3.4Å; L447-L451 WeakPolarHBondContact O-CD1 3.43Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.01Å |
| 448 | Y | 72.2 | Confident | 59.5 | Low | 149 Ų | 149 | 100.6 Ų | 100.6 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -50.1 | 177.3 | -177.2 | -96.3 | 0 | 0 | 0 | 112.1 | E444 L445 T450 L451 K452 | E444-Y448 VanDerWaalsContact O-CB 3.29Å; E444-Y448 WeakPolarHBondContact O-CB 3.48Å; E444-Y448 PolarHBondContact O-N 3.49Å; L445-Y448 PolarHBondContact O-N 2.95Å; Y448-T450 VanDerWaalsContact C-N 3.35Å; Y448-T450 PolarHBondContact O-N 3.27Å; Y448-L451 PolarHBondContact O-N 3.43Å; Y448-K452 HydrophobicContact CE1-CD 3.99Å; Y448-K452 WeakPolarHBondContact O-CB 3.45Å; Y448-K452 PolarHBondContact O-N 3.1Å |
| 449 | D | 67.7 | Low | 58.8 | Low | 87 Ų | 87 | 100.6 Ų | 100.6 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -34.2 | 178.8 | -80.7 | -20.6 | 0 | 0 | 0 | 112.1 | L445 T453 | L445-D449 PolarHBondContact O-N 3.49Å; D449-T453 VanDerWaalsContact O-CB 3.3Å; D449-T453 WeakPolarHBondContact O-CB 3.46Å; D449-T453 PolarHBondContact O-N 3.11Å; D449-T453 PolarHBondContact O-OG1 3.45Å |
| 450 | T | 58.6 | Low | 58.3 | Low | 71 Ų | 71 | 101.2 Ų | 101.2 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 173.7 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | L446 L447 Y448 K452 T453 I454 | L446-T450 VanDerWaalsContact O-CB 3.24Å; L446-T450 WeakPolarHBondContact O-CB 3.32Å; L446-T450 PolarHBondContact O-N 2.56Å; L446-T450 PolarHBondContact O-OG1 3.38Å; L447-T450 PolarHBondContact O-N 3.42Å; Y448-T450 VanDerWaalsContact C-N 3.35Å; Y448-T450 PolarHBondContact O-N 3.27Å; T450-K452 PolarHBondContact O-N 2.93Å; T450-T453 PolarHBondContact O-N 3.49Å; T450-I454 HydrophobicContact CG2-CD1 4.11Å; T450-I454 VanDerWaalsContact O-CG1 3.31Å; T450-I454 WeakPolarHBondContact O-CG1 3.38Å; T450-I454 PolarHBondContact O-N 2.99Å |
| 451 | L | 64.9 | Low | 57.1 | Low | 108 Ų | 108 | 100.6 Ų | 100.6 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 175.8 | -75.2 | 168.1 | 0 | 0 | 0 | 111.7 | L447 Y448 I454 Q455 | L447-L451 VanDerWaalsContact O-CB 3.28Å; L447-L451 WeakPolarHBondContact O-CB 3.4Å; L447-L451 WeakPolarHBondContact O-CD1 3.43Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.01Å; Y448-L451 PolarHBondContact O-N 3.43Å; L451-I454 PolarHBondContact O-N 3.14Å; L451-Q455 WeakPolarHBondContact O-CB 3.42Å; L451-Q455 PolarHBondContact O-N 3.26Å |
| 452 | K | 72.2 | Confident | 55.7 | Low | 73 Ų | 73 | 101.6 Ų | 101.6 | 32% | 0.317 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176 | -178.8 | 176.4 | 172 | -63.7 | 0 | 111.7 | Y448 T450 Q455 E456 | Y448-K452 HydrophobicContact CE1-CD 3.99Å; Y448-K452 WeakPolarHBondContact O-CB 3.45Å; Y448-K452 PolarHBondContact O-N 3.1Å; T450-K452 PolarHBondContact O-N 2.93Å; K452-Q455 CarbonylContact O-C 3.59Å; K452-Q455 WeakPolarHBondContact O-CB 3.33Å; K452-Q455 PolarHBondContact O-N 3.19Å; K452-Q455 VanDerWaalsContact O-N 3.14Å; K452-E456 VanDerWaalsContact CE-OE1 3.31Å; K452-E456 WeakPolarHBondContact CE-OE1 3.28Å; K452-E456 VanDerWaalsContact NZ-CD 3.3Å; K452-E456 IonicContact NZ-OE1 3.97Å; K452-E456 PolarHBondContact NZ-OE1 2.97Å; K452-E456 IonicContact NZ-OE2 3.36Å; K452-E456 PolarHBondContact NZ-OE2 2.63Å; K452-E456 WeakPolarHBondContact O-CB 3.37Å; K452-E456 WeakPolarHBondContact O-CG 3.33Å; K452-E456 PolarHBondContact O-N 3.46Å |
| 453 | T | 56.7 | Low | 54.6 | Low | 72 Ų | 72 | 102.3 Ų | 102.3 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 174.6 | -55.8 | 0 | 0 | 0 | 0 | 111 | D449 T450 Q455 E456 L457 | D449-T453 VanDerWaalsContact O-CB 3.3Å; D449-T453 WeakPolarHBondContact O-CB 3.46Å; D449-T453 PolarHBondContact O-N 3.11Å; D449-T453 PolarHBondContact O-OG1 3.45Å; T450-T453 PolarHBondContact O-N 3.49Å; T453-Q455 VanDerWaalsContact C-N 3.28Å; T453-Q455 PolarHBondContact O-N 3.33Å; T453-E456 PolarHBondContact O-N 3.13Å; T453-L457 HydrophobicContact CG2-CD1 4.06Å; T453-L457 HydrophobicContact CG2-CG 4.48Å; T453-L457 WeakPolarHBondContact O-CB 3.48Å; T453-L457 VanDerWaalsContact O-CG 3.27Å; T453-L457 WeakPolarHBondContact O-CG 3.33Å; T453-L457 PolarHBondContact O-N 3.39Å |
| 454 | I | 51.9 | Low | 54 | Low | 70 Ų | 70 | 108.2 Ų | 108.2 | 36% | 0.359 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -38.7 | 172.7 | -70.2 | 164.7 | 0 | 0 | 0 | 110.9 | I401 T450 L451 K458 | I401-I454 HydrophobicContact CD1-CD1 4.4Å; T450-I454 HydrophobicContact CG2-CD1 4.11Å; T450-I454 VanDerWaalsContact O-CG1 3.31Å; T450-I454 WeakPolarHBondContact O-CG1 3.38Å; T450-I454 PolarHBondContact O-N 2.99Å; L451-I454 PolarHBondContact O-N 3.14Å; I454-K458 WeakPolarHBondContact O-CB 3.48Å; I454-K458 PolarHBondContact O-N 2.87Å |
| 455 | Q | 55.1 | Low | 53.2 | Low | 134 Ų | 134 | 108.8 Ų | 108.8 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.8 | -37.1 | 179.7 | -153.1 | 165.5 | 11.2 | 0 | 0 | 112.4 | L451 K452 T453 K458 C459 | L451-Q455 WeakPolarHBondContact O-CB 3.42Å; L451-Q455 PolarHBondContact O-N 3.26Å; K452-Q455 CarbonylContact O-C 3.59Å; K452-Q455 WeakPolarHBondContact O-CB 3.33Å; K452-Q455 PolarHBondContact O-N 3.19Å; K452-Q455 VanDerWaalsContact O-N 3.14Å; T453-Q455 VanDerWaalsContact C-N 3.28Å; T453-Q455 PolarHBondContact O-N 3.33Å; Q455-K458 PolarHBondContact O-N 3.35Å; Q455-C459 PolarHBondContact O-N 2.91Å; Q455-C459 PolarHBondContact O-SG 2.95Å; Q455-C459 VanDerWaalsContact O-SG 3.32Å |
| 456 | E | 47.3 | Very low | 52.2 | Low | 108 Ų | 108 | 107.2 Ų | 107.2 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.3 | -41.9 | 175.3 | -74.4 | 170.8 | 171.9 | 0 | 0 | 111.6 | K452 T453 K458 C459 | K452-E456 VanDerWaalsContact CE-OE1 3.31Å; K452-E456 WeakPolarHBondContact CE-OE1 3.28Å; K452-E456 VanDerWaalsContact NZ-CD 3.3Å; K452-E456 IonicContact NZ-OE1 3.97Å; K452-E456 PolarHBondContact NZ-OE1 2.97Å; K452-E456 IonicContact NZ-OE2 3.36Å; K452-E456 PolarHBondContact NZ-OE2 2.63Å; K452-E456 WeakPolarHBondContact O-CB 3.37Å; K452-E456 WeakPolarHBondContact O-CG 3.33Å; K452-E456 PolarHBondContact O-N 3.46Å; T453-E456 PolarHBondContact O-N 3.13Å; E456-K458 VanDerWaalsContact C-N 3.31Å; E456-K458 PolarHBondContact O-N 2.91Å; E456-C459 PolarHBondContact O-N 3.44Å; E456-C459 VanDerWaalsContact O-N 3.17Å |
| 457 | L | 41.5 | Very low | 51.6 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.7 | -37.3 | 171.5 | -71.1 | 170.3 | 0 | 0 | 0 | 112 | T453 C459 N460 | T453-L457 HydrophobicContact CG2-CD1 4.06Å; T453-L457 HydrophobicContact CG2-CG 4.48Å; T453-L457 WeakPolarHBondContact O-CB 3.48Å; T453-L457 VanDerWaalsContact O-CG 3.27Å; T453-L457 WeakPolarHBondContact O-CG 3.33Å; T453-L457 PolarHBondContact O-N 3.39Å; L457-C459 PolarHBondContact O-N 3.44Å; L457-N460 PolarHBondContact O-N 3.34Å |
| 458 | K | 41.9 | Very low | 51 | Low | 152 Ų | 152 | 105.1 Ų | 105.1 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.4 | -17.5 | 175.8 | -172.3 | 169.5 | -174.7 | 170.5 | 0 | 113.9 | I454 Q455 E456 | I454-K458 WeakPolarHBondContact O-CB 3.48Å; I454-K458 PolarHBondContact O-N 2.87Å; Q455-K458 PolarHBondContact O-N 3.35Å; E456-K458 VanDerWaalsContact C-N 3.31Å; E456-K458 PolarHBondContact O-N 2.91Å |
| 459 | C | 36.7 | Very low | 50.2 | Low | 88 Ų | 88 | 103.6 Ų | 103.6 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -85 | -15.3 | 175 | -72.7 | 0 | 0 | 0 | 0 | 113.6 | Q455 E456 L457 C461 | Q455-C459 PolarHBondContact O-N 2.91Å; Q455-C459 PolarHBondContact O-SG 2.95Å; Q455-C459 VanDerWaalsContact O-SG 3.32Å; E456-C459 PolarHBondContact O-N 3.44Å; E456-C459 VanDerWaalsContact O-N 3.17Å; L457-C459 PolarHBondContact O-N 3.44Å; C459-C461 PolarHBondContact O-N 2.79Å |
| 460 | N | 42.1 | Very low | 49.1 | Very low | 143 Ų | 143 | 102.4 Ų | 102.4 | 77% | 0.765 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 15.2 | -167.9 | -137.8 | 29.4 | 0 | 0 | 0 | 114.9 | L457 | L457-N460 PolarHBondContact O-N 3.34Š|
| 461 | C | 33 | Very low | 48.5 | Very low | 112 Ų | 112 | 103.3 Ų | 103.3 | 76% | 0.757 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 4 | -178.7 | -58.3 | 0 | 0 | 0 | 0 | 114.1 | C459 | C459-C461 PolarHBondContact O-N 2.79Š|
| 462 | N | 38.2 | Very low | 47.9 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | trans | -104.1 | 28.8 | -170.8 | -81.4 | -14.8 | 0 | 0 | 0 | 114.7 | K464 Q465 | N462-K464 PolarHBondContact O-N 2.78Å; N462-Q465 PolarHBondContact O-N 2.8Å | ||
| 463 | D | 41.3 | Very low | 47.5 | Very low | 133 Ų | 133 | 103.5 Ų | 103.5 | 71% | 0.711 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 22.3 | -167.7 | -150 | 27 | 0 | 0 | 0 | 115.9 | S466 V467 | D463-S466 PolarHBondContact OD1-OG 2.65Å; D463-V467 WeakPolarHBondContact O-CG2 3.47Å |
| 464 | K | 42.9 | Very low | 47 | Very low | 172 Ų | 172 | 104.8 Ų | 104.8 | 75% | 0.748 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -29 | 168.1 | -67.9 | -178.9 | 179.8 | 176.1 | 0 | 112.4 | N462 V467 I468 | N462-K464 PolarHBondContact O-N 2.78Å; K464-V467 PolarHBondContact O-N 3.15Å; K464-I468 VanDerWaalsContact O-CG1 3.28Å; K464-I468 WeakPolarHBondContact O-CG1 3.34Å; K464-I468 PolarHBondContact O-N 3.05Å |
| 465 | Q | 49.7 | Very low | 46.6 | Very low | 102 Ų | 102 | 106.5 Ų | 106.5 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.2 | -40.7 | -178.2 | -167.7 | 64.2 | 20.1 | 0 | 0 | 111.6 | N462 V467 I468 E469 | N462-Q465 PolarHBondContact O-N 2.8Å; Q465-V467 VanDerWaalsContact C-N 3.25Å; Q465-V467 PolarHBondContact O-N 2.77Å; Q465-I468 PolarHBondContact O-N 2.81Å; Q465-E469 PolarHBondContact O-N 3.4Å |
| 466 | S | 52.1 | Low | 46.5 | Very low | 60 Ų | 60 | 105.3 Ų | 105.3 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -53.2 | -42.7 | 168.2 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | D463 C470 | D463-S466 PolarHBondContact OD1-OG 2.65Å; S466-C470 VanDerWaalsContact O-CB 3.28Å; S466-C470 WeakPolarHBondContact O-CB 3.46Å; S466-C470 PolarHBondContact O-N 2.66Å |
| 467 | V | 50.5 | Low | 46.5 | Very low | 71 Ų | 71 | 105 Ų | 105 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.8 | -41.2 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | D463 K464 Q465 C470 L471 | D463-V467 WeakPolarHBondContact O-CG2 3.47Å; K464-V467 PolarHBondContact O-N 3.15Å; Q465-V467 VanDerWaalsContact C-N 3.25Å; Q465-V467 PolarHBondContact O-N 2.77Å; V467-C470 PolarHBondContact O-N 2.79Å; V467-L471 HydrophobicContact CG1-CD1 3.86Å; V467-L471 HydrophobicContact CG1-CG 4.33Å; V467-L471 WeakPolarHBondContact O-CB 3.35Å; V467-L471 VanDerWaalsContact O-CG 3.26Å; V467-L471 WeakPolarHBondContact O-CG 3.44Å; V467-L471 PolarHBondContact O-N 2.82Å |
| 468 | I | 53.8 | Low | 46.6 | Very low | 72 Ų | 72 | 105.6 Ų | 105.6 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -46.5 | 175.9 | -72.8 | 163.5 | 0 | 0 | 0 | 111.2 | K464 Q465 C470 L471 Q472 | K464-I468 VanDerWaalsContact O-CG1 3.28Å; K464-I468 WeakPolarHBondContact O-CG1 3.34Å; K464-I468 PolarHBondContact O-N 3.05Å; Q465-I468 PolarHBondContact O-N 2.81Å; I468-C470 VanDerWaalsContact C-N 3.34Å; I468-C470 PolarHBondContact O-N 3.32Å; I468-L471 PolarHBondContact O-N 3.35Å; I468-Q472 HydrophobicContact CG2-CG 4.44Å; I468-Q472 WeakPolarHBondContact O-CB 3.32Å; I468-Q472 VanDerWaalsContact O-CG 3.27Å; I468-Q472 WeakPolarHBondContact O-CG 3.45Å; I468-Q472 PolarHBondContact O-N 3.42Å |
| 469 | E | 55.3 | Low | 46.5 | Very low | 116 Ų | 116 | 106.2 Ų | 106.2 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66 | -36.7 | 177.7 | -71.2 | 175.3 | -166.9 | 0 | 0 | 111.8 | Q465 Q472 S473 | Q465-E469 PolarHBondContact O-N 3.4Å; E469-Q472 PolarHBondContact O-N 2.87Å; E469-S473 WeakPolarHBondContact O-CB 3.34Å; E469-S473 PolarHBondContact O-N 3.29Å |
| 470 | C | 45.4 | Very low | 46.8 | Very low | 63 Ų | 63 | 106.4 Ų | 106.4 | 43% | 0.426 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -44.7 | 173.3 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | S466 V467 I468 S473 Q474 | S466-C470 VanDerWaalsContact O-CB 3.28Å; S466-C470 WeakPolarHBondContact O-CB 3.46Å; S466-C470 PolarHBondContact O-N 2.66Å; V467-C470 PolarHBondContact O-N 2.79Å; I468-C470 VanDerWaalsContact C-N 3.34Å; I468-C470 PolarHBondContact O-N 3.32Å; C470-S473 PolarHBondContact O-N 2.96Å; C470-Q474 WeakPolarHBondContact O-CG 3.37Å; C470-Q474 PolarHBondContact O-N 2.85Å; C470-Q474 PolarHBondContact SG-NE2 3.44Å |
| 471 | L | 46.8 | Very low | 46.5 | Very low | 89 Ų | 89 | 105.9 Ų | 105.9 | 47% | 0.466 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -38.6 | 176.9 | -73.4 | 170.5 | 0 | 0 | 0 | 112 | V467 I468 Q474 L475 | V467-L471 HydrophobicContact CG1-CD1 3.86Å; V467-L471 HydrophobicContact CG1-CG 4.33Å; V467-L471 WeakPolarHBondContact O-CB 3.35Å; V467-L471 VanDerWaalsContact O-CG 3.26Å; V467-L471 WeakPolarHBondContact O-CG 3.44Å; V467-L471 PolarHBondContact O-N 2.82Å; I468-L471 PolarHBondContact O-N 3.35Å; L471-Q474 PolarHBondContact O-N 2.78Å; L471-L475 WeakPolarHBondContact O-CB 3.44Å; L471-L475 WeakPolarHBondContact O-CG 3.49Å; L471-L475 PolarHBondContact O-N 2.88Å |
| 472 | Q | 50.8 | Low | 46.5 | Very low | 114 Ų | 114 | 108.7 Ų | 108.7 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.2 | -43.4 | 173.6 | -75 | 173.3 | -6.7 | 0 | 0 | 111.4 | I468 E469 Q474 L475 T476 | I468-Q472 HydrophobicContact CG2-CG 4.44Å; I468-Q472 WeakPolarHBondContact O-CB 3.32Å; I468-Q472 VanDerWaalsContact O-CG 3.27Å; I468-Q472 WeakPolarHBondContact O-CG 3.45Å; I468-Q472 PolarHBondContact O-N 3.42Å; E469-Q472 PolarHBondContact O-N 2.87Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.38Å; Q472-L475 PolarHBondContact O-N 2.83Å; Q472-T476 PolarHBondContact O-N 2.71Å; Q472-T476 PolarHBondContact O-OG1 3.07Å; Q472-T476 VanDerWaalsContact O-OG1 3.12Å |
| 473 | S | 64.7 | Low | 46.3 | Very low | 71 Ų | 71 | 111.3 Ų | 111.3 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.1 | -39.5 | 174.3 | -173 | 0 | 0 | 0 | 0 | 112.5 | E469 C470 T476 T477 | E469-S473 WeakPolarHBondContact O-CB 3.34Å; E469-S473 PolarHBondContact O-N 3.29Å; C470-S473 PolarHBondContact O-N 2.96Å; S473-T476 WeakPolarHBondContact CA-OG1 3.46Å; S473-T476 PolarHBondContact O-OG1 2.79Å; S473-T477 PolarHBondContact O-N 3.48Å; S473-T477 PolarHBondContact O-OG1 2.97Å |
| 474 | Q | 45.2 | Very low | 46.4 | Very low | 99 Ų | 99 | 113.8 Ų | 113.8 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.2 | -41.5 | 176.2 | -71 | 178 | 36.1 | 0 | 0 | 111.7 | C470 L471 Q472 T476 T477 I478 | C470-Q474 WeakPolarHBondContact O-CG 3.37Å; C470-Q474 PolarHBondContact O-N 2.85Å; C470-Q474 PolarHBondContact SG-NE2 3.44Å; L471-Q474 PolarHBondContact O-N 2.78Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.38Å; Q474-T476 PolarHBondContact O-N 3.3Å; Q474-T477 PolarHBondContact O-N 3.19Å; Q474-I478 WeakPolarHBondContact O-CG1 3.43Å; Q474-I478 PolarHBondContact O-N 2.98Å; Q474-I478 VanDerWaalsContact O-N 3.13Å |
| 475 | L | 44.6 | Very low | 46.3 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 56% | 0.555 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.8 | -44.8 | 174.8 | -80.8 | 162.9 | 0 | 0 | 0 | 112 | L471 Q472 T477 I478 | L471-L475 WeakPolarHBondContact O-CB 3.44Å; L471-L475 WeakPolarHBondContact O-CG 3.49Å; L471-L475 PolarHBondContact O-N 2.88Å; Q472-L475 PolarHBondContact O-N 2.83Å; L475-T477 PolarHBondContact O-N 3.43Å; L475-I478 PolarHBondContact O-N 2.81Å |
| 476 | T | 53.7 | Low | 46.1 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66 | -17.9 | 174.3 | 42.8 | 0 | 0 | 0 | 0 | 114.4 | Q472 S473 Q474 | Q472-T476 PolarHBondContact O-N 2.71Å; Q472-T476 PolarHBondContact O-OG1 3.07Å; Q472-T476 VanDerWaalsContact O-OG1 3.12Å; S473-T476 WeakPolarHBondContact CA-OG1 3.46Å; S473-T476 PolarHBondContact O-OG1 2.79Å; Q474-T476 PolarHBondContact O-N 3.3Å |
| 477 | T | 46.6 | Very low | 45.8 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -94.4 | -19.6 | -177.8 | -51.2 | 0 | 0 | 0 | 0 | 112.7 | S473 Q474 L475 | S473-T477 PolarHBondContact O-N 3.48Å; S473-T477 PolarHBondContact O-OG1 2.97Å; Q474-T477 PolarHBondContact O-N 3.19Å; L475-T477 PolarHBondContact O-N 3.43Å |
| 478 | I | 44.5 | Very low | 45.6 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 67% | 0.667 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -92.4 | -22.5 | -175.3 | -69.2 | 166.6 | 0 | 0 | 0 | 112.7 | Q474 L475 S480 | Q474-I478 WeakPolarHBondContact O-CG1 3.43Å; Q474-I478 PolarHBondContact O-N 2.98Å; Q474-I478 VanDerWaalsContact O-N 3.13Å; L475-I478 PolarHBondContact O-N 2.81Å; I478-S480 PolarHBondContact O-N 2.87Å |
| 479 | Q | 39.6 | Very low | 45.2 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 21 | -174.7 | -71.3 | -177.2 | -22.2 | 0 | 0 | 115.8 | ||
| 480 | S | 41.3 | Very low | 45.3 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 1 | -170 | 80.4 | 0 | 0 | 0 | 0 | 116.8 | I478 | I478-S480 PolarHBondContact O-N 2.87Š|
| 481 | N | 36 | Very low | 46 | Very low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -139.2 | 129.2 | -173.1 | -88 | -17.6 | 0 | 0 | 0 | 115.9 | ||
| 482 | E | 33.5 | Very low | 46.7 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | trans | 71.4 | 68.5 | 138.4 | -57.8 | -173 | 146.6 | 0 | 0 | 119.6 | H484 | E482-H484 PolarHBondContact O-N 3.33Š| ||
| 483 | E | 33.8 | Very low | 47.2 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | -29.2 | 1 | 162.6 | -56.8 | 174 | 120 | 0 | 0 | 121 | ||||
| 484 | H | 43.7 | Very low | 47.5 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 85% | 0.852 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 5.4 | -153.3 | -132.2 | -52.4 | 0 | 0 | 0 | 118.2 | E482 | E482-H484 PolarHBondContact O-N 3.33Š|
| 485 | Q | 41.7 | Very low | 48.5 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 9.4 | -175.9 | -143.6 | 171.2 | 12.3 | 0 | 0 | 115.2 | Q487 Q489 | Q485-Q487 PolarHBondContact O-N 2.77Å; Q485-Q489 WeakPolarHBondContact O-CG 3.39Å |
| 486 | Q | 44.6 | Very low | 49.5 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.4 | -30.4 | -165.6 | -68.9 | 178 | -13.7 | 0 | 0 | 115.8 | Q489 Q490 | Q486-Q489 CarbonylContact O-C 3.56Å; Q486-Q489 WeakPolarHBondContact O-CB 3.44Å; Q486-Q489 PolarHBondContact O-N 2.8Å; Q486-Q490 WeakPolarHBondContact O-CB 3.31Å; Q486-Q490 PolarHBondContact O-N 2.97Å |
| 487 | Q | 45.7 | Very low | 50.2 | Low | 180 Ų | 180 | 124.5 Ų | 124.5 | 84% | 0.841 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78 | -29.8 | -165.9 | -160.4 | 169.2 | 30.1 | 0 | 0 | 114.8 | Q485 Q490 | Q485-Q487 PolarHBondContact O-N 2.77Å; Q487-Q490 WeakPolarHBondContact O-CB 3.38Å |
| 488 | E | 45.7 | Very low | 51.5 | Low | 171 Ų | 171 | 125.9 Ų | 125.9 | 80% | 0.799 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -86.9 | -31.2 | 172.3 | -166.2 | 166.3 | -134.3 | 0 | 0 | 110.8 | Q490 | E488-Q490 PolarHBondContact O-N 3.35Å |
| 489 | Q | 46 | Very low | 52.6 | Low | 98 Ų | 98 | 125.9 Ų | 125.9 | 46% | 0.458 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.6 | -31.9 | 163.4 | -71.5 | 175.5 | -18.8 | 0 | 0 | 112 | Q485 Q486 L491 L492 T493 | Q485-Q489 WeakPolarHBondContact O-CG 3.39Å; Q486-Q489 CarbonylContact O-C 3.56Å; Q486-Q489 WeakPolarHBondContact O-CB 3.44Å; Q486-Q489 PolarHBondContact O-N 2.8Å; Q489-L491 PolarHBondContact O-N 3.49Å; Q489-L492 PolarHBondContact O-N 3.23Å; Q489-T493 WeakPolarHBondContact O-CA 3.31Å; Q489-T493 WeakPolarHBondContact O-CB 3.28Å; Q489-T493 PolarHBondContact O-N 2.78Å; Q489-T493 PolarHBondContact O-OG1 3.17Å |
| 490 | Q | 56.3 | Low | 53.9 | Low | 97 Ų | 97 | 122 Ų | 122 | 45% | 0.453 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.4 | -47.3 | -177.4 | -166 | 69.6 | 56.4 | 0 | 0 | 112 | Q486 Q487 E488 L492 T493 D494 | Q486-Q490 WeakPolarHBondContact O-CB 3.31Å; Q486-Q490 PolarHBondContact O-N 2.97Å; Q487-Q490 WeakPolarHBondContact O-CB 3.38Å; E488-Q490 PolarHBondContact O-N 3.35Å; Q490-L492 PolarHBondContact O-N 3.35Å; Q490-T493 CarbonylContact O-C 3.56Å; Q490-T493 WeakPolarHBondContact O-CB 3.44Å; Q490-T493 PolarHBondContact O-N 2.78Å; Q490-D494 PolarHBondContact NE2-OD1 3.47Å; Q490-D494 PolarHBondContact O-N 2.95Å |
| 491 | L | 61.6 | Low | 55.3 | Low | 126 Ų | 126 | 122.2 Ų | 122.2 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -36.9 | -177.9 | -167.9 | 72.1 | 0 | 0 | 0 | 112 | Q489 D494 Q495 | Q489-L491 PolarHBondContact O-N 3.49Å; L491-D494 PolarHBondContact O-N 3.37Å; L491-Q495 PolarHBondContact O-N 2.65Å |
| 492 | L | 60.7 | Low | 57 | Low | 113 Ų | 113 | 120.6 Ų | 120.6 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.2 | -37.8 | 173.4 | -167.8 | 69.5 | 0 | 0 | 0 | 111 | Q489 Q490 Q495 L496 | Q489-L492 PolarHBondContact O-N 3.23Å; Q490-L492 PolarHBondContact O-N 3.35Å; L492-Q495 PolarHBondContact O-N 3Å; L492-L496 WeakPolarHBondContact O-CB 3.47Å; L492-L496 PolarHBondContact O-N 3.49Å |
| 493 | T | 62 | Low | 58.4 | Low | 58 Ų | 58 | 118.3 Ų | 118.3 | 36% | 0.356 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -36.1 | 173.7 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | Q489 Q490 L496 N497 | Q489-T493 WeakPolarHBondContact O-CA 3.31Å; Q489-T493 WeakPolarHBondContact O-CB 3.28Å; Q489-T493 PolarHBondContact O-N 2.78Å; Q489-T493 PolarHBondContact O-OG1 3.17Å; Q490-T493 CarbonylContact O-C 3.56Å; Q490-T493 WeakPolarHBondContact O-CB 3.44Å; Q490-T493 PolarHBondContact O-N 2.78Å; T493-L496 PolarHBondContact O-N 2.86Å; T493-N497 WeakPolarHBondContact CG2-ND2 3.33Å; T493-N497 WeakPolarHBondContact O-CA 3.1Å; T493-N497 WeakPolarHBondContact O-CB 3.43Å; T493-N497 PolarHBondContact O-N 2.82Å; T493-N497 PolarHBondContact O-ND2 3.21Å |
| 494 | D | 70.2 | Confident | 60 | Low | 79 Ų | 79 | 115.8 Ų | 115.8 | 42% | 0.422 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70 | -36.8 | 176.4 | -66.9 | -21.4 | 0 | 0 | 0 | 111.1 | Q490 L491 Q498 | Q490-D494 PolarHBondContact NE2-OD1 3.47Å; Q490-D494 PolarHBondContact O-N 2.95Å; L491-D494 PolarHBondContact O-N 3.37Å; D494-Q498 PolarHBondContact O-N 2.74Å |
| 495 | Q | 65.9 | Low | 61.3 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 59% | 0.589 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.2 | -40.9 | 170.3 | -72 | -169.3 | -31.1 | 0 | 0 | 112.6 | L491 L492 Q498 Q499 | L491-Q495 PolarHBondContact O-N 2.65Å; L492-Q495 PolarHBondContact O-N 3Å; Q495-Q498 PolarHBondContact O-N 3.05Å; Q495-Q499 PolarHBondContact O-N 3.43Å |
| 496 | L | 65.4 | Low | 62.4 | Low | 91 Ų | 91 | 109.1 Ų | 109.1 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 173.9 | -131.7 | 76.4 | 0 | 0 | 0 | 110.4 | L492 T493 Q498 Q499 I500 | L492-L496 WeakPolarHBondContact O-CB 3.47Å; L492-L496 PolarHBondContact O-N 3.49Å; T493-L496 PolarHBondContact O-N 2.86Å; L496-Q498 VanDerWaalsContact C-N 3.3Å; L496-Q498 PolarHBondContact O-N 3.18Å; L496-Q499 PolarHBondContact O-N 3.33Å; L496-I500 HydrophobicContact CB-CD1 4.36Å; L496-I500 HydrophobicContact CD2-CD1 4.24Å; L496-I500 HydrophobicContact CG-CD1 4.19Å; L496-I500 WeakPolarHBondContact O-CB 3.5Å; L496-I500 WeakPolarHBondContact O-CD1 3.38Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 3.33Å |
| 497 | N | 68.9 | Low | 63 | Low | 70 Ų | 70 | 111 Ų | 111 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 175.2 | -74.6 | -21.1 | 0 | 0 | 0 | 111.5 | T493 N501 | T493-N497 WeakPolarHBondContact CG2-ND2 3.33Å; T493-N497 WeakPolarHBondContact O-CA 3.1Å; T493-N497 WeakPolarHBondContact O-CB 3.43Å; T493-N497 PolarHBondContact O-N 2.82Å; T493-N497 PolarHBondContact O-ND2 3.21Å; N497-N501 WeakPolarHBondContact O-CA 3.47Å; N497-N501 WeakPolarHBondContact O-CB 3.16Å; N497-N501 PolarHBondContact O-N 2.83Å; N497-N501 PolarHBondContact O-ND2 3.29Å; N497-N501 PolarHBondContact O-OD1 2.91Å |
| 498 | Q | 74.1 | Confident | 63.9 | Low | 129 Ų | 129 | 105.3 Ų | 105.3 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.3 | -39 | 174.6 | -166.3 | 171.4 | 20 | 0 | 0 | 112.1 | D494 Q495 L496 N502 | D494-Q498 PolarHBondContact O-N 2.74Å; Q495-Q498 PolarHBondContact O-N 3.05Å; L496-Q498 VanDerWaalsContact C-N 3.3Å; L496-Q498 PolarHBondContact O-N 3.18Å; Q498-N502 VanDerWaalsContact O-CG 3.28Å; Q498-N502 PolarHBondContact O-N 3.47Å; Q498-N502 PolarHBondContact O-OD1 3.11Å |
| 499 | Q | 67.2 | Low | 65 | Low | 130 Ų | 130 | 102.4 Ų | 102.4 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.1 | -40.2 | 173.5 | -71.2 | -173.2 | -13 | 0 | 0 | 112.4 | Q495 L496 N502 L503 | Q495-Q499 PolarHBondContact O-N 3.43Å; L496-Q499 PolarHBondContact O-N 3.33Å; Q499-N502 PolarHBondContact O-N 2.84Å; Q499-L503 WeakPolarHBondContact O-CB 3.48Å; Q499-L503 WeakPolarHBondContact O-CG 3.42Å; Q499-L503 PolarHBondContact O-N 3.39Å |
| 500 | I | 67.2 | Low | 65.3 | Low | 84 Ų | 84 | 101.9 Ų | 101.9 | 43% | 0.431 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 173.5 | -71.4 | 165.4 | 0 | 0 | 0 | 109.7 | L496 L503 H504 | L496-I500 HydrophobicContact CB-CD1 4.36Å; L496-I500 HydrophobicContact CD2-CD1 4.24Å; L496-I500 HydrophobicContact CG-CD1 4.19Å; L496-I500 WeakPolarHBondContact O-CB 3.5Å; L496-I500 WeakPolarHBondContact O-CD1 3.38Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 3.33Å; I500-L503 CarbonylContact O-C 3.51Å; I500-L503 PolarHBondContact O-N 2.84Å; I500-H504 WeakPolarHBondContact O-CA 3.33Å; I500-H504 WeakPolarHBondContact O-CB 3.36Å; I500-H504 PolarHBondContact O-N 3.23Å |
| 501 | N | 70.2 | Confident | 65.4 | Low | 98 Ų | 98 | 100.1 Ų | 100.1 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 176.4 | -74.9 | -12.9 | 0 | 0 | 0 | 111.7 | N497 H504 D505 | N497-N501 WeakPolarHBondContact O-CA 3.47Å; N497-N501 WeakPolarHBondContact O-CB 3.16Å; N497-N501 PolarHBondContact O-N 2.83Å; N497-N501 PolarHBondContact O-ND2 3.29Å; N497-N501 PolarHBondContact O-OD1 2.91Å; N501-H504 CarbonylContact O-C 3.51Å; N501-H504 PolarHBondContact O-N 3.3Å; N501-D505 WeakPolarHBondContact O-CB 3.09Å; N501-D505 PolarHBondContact O-N 3.36Å |
| 502 | N | 71.4 | Confident | 65.6 | Low | 97 Ų | 97 | 100.3 Ų | 100.3 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 173.8 | -71 | -0.7 | 0 | 0 | 0 | 111.3 | Q498 Q499 H504 D505 D506 | Q498-N502 VanDerWaalsContact O-CG 3.28Å; Q498-N502 PolarHBondContact O-N 3.47Å; Q498-N502 PolarHBondContact O-OD1 3.11Å; Q499-N502 PolarHBondContact O-N 2.84Å; N502-H504 PolarHBondContact O-N 3.07Å; N502-D505 PolarHBondContact O-N 3.34Å; N502-D506 PolarHBondContact O-N 2.98Å |
| 503 | L | 63.9 | Low | 65.6 | Low | 122 Ų | 122 | 101 Ų | 101 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -29 | 174.8 | -75.4 | 168.4 | 0 | 0 | 0 | 112.4 | Q499 I500 Y507 | Q499-L503 WeakPolarHBondContact O-CB 3.48Å; Q499-L503 WeakPolarHBondContact O-CG 3.42Å; Q499-L503 PolarHBondContact O-N 3.39Å; I500-L503 CarbonylContact O-C 3.51Å; I500-L503 PolarHBondContact O-N 2.84Å; L503-Y507 WeakPolarHBondContact O-CA 3.17Å; L503-Y507 WeakPolarHBondContact O-CB 3.23Å; L503-Y507 PolarHBondContact O-N 2.92Å |
| 504 | H | 67.6 | Low | 65.2 | Low | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -82.5 | -28.9 | 177.1 | -171 | 68 | 0 | 0 | 0 | 111.4 | I500 N501 N502 S508 | I500-H504 WeakPolarHBondContact O-CA 3.33Å; I500-H504 WeakPolarHBondContact O-CB 3.36Å; I500-H504 PolarHBondContact O-N 3.23Å; N501-H504 CarbonylContact O-C 3.51Å; N501-H504 PolarHBondContact O-N 3.3Å; N502-H504 PolarHBondContact O-N 3.07Å; H504-S508 VanDerWaalsContact O-CA 3.31Å; H504-S508 WeakPolarHBondContact O-CA 3.46Å; H504-S508 WeakPolarHBondContact O-CB 3.39Å; H504-S508 PolarHBondContact O-N 3.36Å |
| 505 | D | 70 | Confident | 64.7 | Low | 99 Ų | 99 | 104.3 Ų | 104.3 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 169.1 | -111.6 | 23.9 | 0 | 0 | 0 | 110.7 | N501 N502 S508 K509 | N501-D505 WeakPolarHBondContact O-CB 3.09Å; N501-D505 PolarHBondContact O-N 3.36Å; N502-D505 PolarHBondContact O-N 3.34Å; D505-S508 PolarHBondContact O-N 3.33Å; D505-K509 WeakPolarHBondContact O-CD 3.36Å; D505-K509 WeakPolarHBondContact O-CE 3.47Å; D505-K509 VanDerWaalsContact O-CG 3.24Å; D505-K509 WeakPolarHBondContact O-CG 3.45Å; D505-K509 PolarHBondContact O-N 2.86Å |
| 506 | D | 66.5 | Low | 64.5 | Low | 85 Ų | 85 | 101.4 Ų | 101.4 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.6 | -43.6 | 176.2 | -70.5 | -23.1 | 0 | 0 | 0 | 111.3 | N502 S508 K509 E510 | N502-D506 PolarHBondContact O-N 2.98Å; D506-S508 PolarHBondContact O-N 3.47Å; D506-K509 CarbonylContact O-C 3.57Å; D506-K509 WeakPolarHBondContact O-CB 3.21Å; D506-K509 PolarHBondContact O-N 2.92Å; D506-K509 VanDerWaalsContact O-N 3.13Å; D506-K509 IonicContact OD1-NZ 2.62Å; D506-K509 PolarHBondContact OD1-NZ 3.23Å; D506-E510 WeakPolarHBondContact O-CB 3.45Å; D506-E510 PolarHBondContact O-N 3.43Å |
| 507 | Y | 56.3 | Low | 63.8 | Low | 161 Ų | 161 | 100.7 Ų | 100.7 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.9 | -20.5 | 170.2 | -164.3 | -99.1 | 0 | 0 | 0 | 112.4 | L503 V511 | L503-Y507 WeakPolarHBondContact O-CA 3.17Å; L503-Y507 WeakPolarHBondContact O-CB 3.23Å; L503-Y507 PolarHBondContact O-N 2.92Å; Y507-V511 HydrophobicContact CD1-CG2 3.55Å; Y507-V511 HydrophobicContact CE1-CG2 3.33Å; Y507-V511 HydrophobicContact CG-CG2 4.27Å; Y507-V511 WeakPolarHBondContact O-CA 3.31Å; Y507-V511 WeakPolarHBondContact O-CB 3.35Å; Y507-V511 WeakPolarHBondContact O-CG2 3.34Å; Y507-V511 PolarHBondContact O-N 3.27Å |
| 508 | S | 65.6 | Low | 62.9 | Low | 59 Ų | 59 | 101.8 Ų | 101.8 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -79.2 | -31.4 | 169.1 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | H504 D505 D506 K512 | H504-S508 VanDerWaalsContact O-CA 3.31Å; H504-S508 WeakPolarHBondContact O-CA 3.46Å; H504-S508 WeakPolarHBondContact O-CB 3.39Å; H504-S508 PolarHBondContact O-N 3.36Å; D505-S508 PolarHBondContact O-N 3.33Å; D506-S508 PolarHBondContact O-N 3.47Å; S508-K512 WeakPolarHBondContact O-CA 3.38Å; S508-K512 WeakPolarHBondContact O-CB 3.2Å; S508-K512 PolarHBondContact O-N 2.83Å |
| 509 | K | 67.8 | Low | 62.3 | Low | 110 Ų | 110 | 98.8 Ų | 98.8 | 48% | 0.478 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 166.3 | -66.8 | 155.9 | -145.1 | 156.6 | 0 | 111.3 | D505 D506 K513 | D505-K509 WeakPolarHBondContact O-CD 3.36Å; D505-K509 WeakPolarHBondContact O-CE 3.47Å; D505-K509 VanDerWaalsContact O-CG 3.24Å; D505-K509 WeakPolarHBondContact O-CG 3.45Å; D505-K509 PolarHBondContact O-N 2.86Å; D506-K509 CarbonylContact O-C 3.57Å; D506-K509 WeakPolarHBondContact O-CB 3.21Å; D506-K509 PolarHBondContact O-N 2.92Å; D506-K509 VanDerWaalsContact O-N 3.13Å; D506-K509 IonicContact OD1-NZ 2.62Å; D506-K509 PolarHBondContact OD1-NZ 3.23Å; K509-K513 WeakPolarHBondContact O-CB 3.35Å; K509-K513 WeakPolarHBondContact O-CG 3.41Å; K509-K513 PolarHBondContact O-N 2.93Å |
| 510 | E | 53.2 | Low | 61.7 | Low | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.1 | -42.1 | 177.9 | -138.4 | 84 | -98.3 | 0 | 0 | 111.6 | D506 K512 K513 Y514 | D506-E510 WeakPolarHBondContact O-CB 3.45Å; D506-E510 PolarHBondContact O-N 3.43Å; E510-K512 VanDerWaalsContact C-N 3.35Å; E510-K513 CarbonylContact O-C 3.58Å; E510-K513 WeakPolarHBondContact O-CB 3.32Å; E510-K513 PolarHBondContact O-N 3Å; E510-K513 WeakPolarHBondContact OE1-CD 3.21Å; E510-K513 IonicContact OE1-NZ 3.16Å; E510-K513 PolarHBondContact OE1-NZ 3.21Å; E510-Y514 VanDerWaalsContact O-CB 3.31Å; E510-Y514 WeakPolarHBondContact O-CB 3.42Å; E510-Y514 PolarHBondContact O-N 2.85Å |
| 511 | V | 57.1 | Low | 61 | Low | 60 Ų | 60 | 96 Ų | 96 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70 | -31 | 170.7 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | Y507 Y514 S515 | Y507-V511 HydrophobicContact CD1-CG2 3.55Å; Y507-V511 HydrophobicContact CE1-CG2 3.33Å; Y507-V511 HydrophobicContact CG-CG2 4.27Å; Y507-V511 WeakPolarHBondContact O-CA 3.31Å; Y507-V511 WeakPolarHBondContact O-CB 3.35Å; Y507-V511 WeakPolarHBondContact O-CG2 3.34Å; Y507-V511 PolarHBondContact O-N 3.27Å; V511-Y514 CarbonylContact O-C 3.53Å; V511-Y514 PolarHBondContact O-N 3.35Å; V511-S515 WeakPolarHBondContact O-CA 3.5Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.45Å; V511-S515 PolarHBondContact O-N 2.84Å; V511-S515 PolarHBondContact O-OG 3.5Å; V511-S515 VanDerWaalsContact O-OG 3.04Å |
| 512 | K | 65.8 | Low | 60.5 | Low | 130 Ų | 130 | 92 Ų | 92 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -74.8 | -36.6 | 170.9 | -172.2 | 170.5 | -177.7 | -178.6 | 0 | 111.6 | S508 E510 Y514 S515 D516 | S508-K512 WeakPolarHBondContact O-CA 3.38Å; S508-K512 WeakPolarHBondContact O-CB 3.2Å; S508-K512 PolarHBondContact O-N 2.83Å; E510-K512 VanDerWaalsContact C-N 3.35Å; K512-Y514 VanDerWaalsContact C-N 3.3Å; K512-Y514 PolarHBondContact O-N 3.3Å; K512-S515 PolarHBondContact O-N 2.99Å; K512-D516 WeakPolarHBondContact O-CA 3.44Å; K512-D516 WeakPolarHBondContact O-CB 3.35Å; K512-D516 PolarHBondContact O-N 3.35Å |
| 513 | K | 62.3 | Low | 59.9 | Low | 127 Ų | 127 | 87.5 Ų | 87.5 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 164.9 | -86.1 | -176.5 | -169.7 | 165.1 | 0 | 110.8 | K509 E510 D516 L517 | K509-K513 WeakPolarHBondContact O-CB 3.35Å; K509-K513 WeakPolarHBondContact O-CG 3.41Å; K509-K513 PolarHBondContact O-N 2.93Å; E510-K513 CarbonylContact O-C 3.58Å; E510-K513 WeakPolarHBondContact O-CB 3.32Å; E510-K513 PolarHBondContact O-N 3Å; E510-K513 WeakPolarHBondContact OE1-CD 3.21Å; E510-K513 IonicContact OE1-NZ 3.16Å; E510-K513 PolarHBondContact OE1-NZ 3.21Å; K513-D516 CarbonylContact O-C 3.58Å; K513-L517 WeakPolarHBondContact O-CA 3.42Å; K513-L517 WeakPolarHBondContact O-CB 3.49Å; K513-L517 PolarHBondContact O-N 2.79Å |
| 514 | Y | 52 | Low | 59 | Low | 164 Ų | 164 | 85 Ų | 85 | 64% | 0.643 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -73.8 | -27.9 | -180 | -104.6 | -86.7 | 0 | 0 | 0 | 112.7 | E510 V511 K512 L517 E518 | E510-Y514 VanDerWaalsContact O-CB 3.31Å; E510-Y514 WeakPolarHBondContact O-CB 3.42Å; E510-Y514 PolarHBondContact O-N 2.85Å; V511-Y514 CarbonylContact O-C 3.53Å; V511-Y514 PolarHBondContact O-N 3.35Å; K512-Y514 VanDerWaalsContact C-N 3.3Å; K512-Y514 PolarHBondContact O-N 3.3Å; Y514-L517 CarbonylContact O-C 3.57Å; Y514-E518 WeakPolarHBondContact O-CA 3.28Å; Y514-E518 WeakPolarHBondContact O-CB 3.45Å; Y514-E518 PolarHBondContact O-N 2.88Å |
| 515 | S | 61.2 | Low | 58.5 | Low | 43 Ų | 43 | 82 Ų | 82 | 30% | 0.301 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -76.6 | -45.8 | 170.3 | -71.7 | 0 | 0 | 0 | 0 | 109.2 | V511 K512 L517 E518 L519 | V511-S515 WeakPolarHBondContact O-CA 3.5Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.45Å; V511-S515 PolarHBondContact O-N 2.84Å; V511-S515 PolarHBondContact O-OG 3.5Å; V511-S515 VanDerWaalsContact O-OG 3.04Å; K512-S515 PolarHBondContact O-N 2.99Å; S515-L517 PolarHBondContact O-N 3.33Å; S515-E518 CarbonylContact O-C 3.57Å; S515-E518 WeakPolarHBondContact O-CA 3.47Å; S515-E518 WeakPolarHBondContact O-CB 3.49Å; S515-E518 PolarHBondContact O-N 3.39Å; S515-L519 WeakPolarHBondContact O-CA 3.5Å; S515-L519 WeakPolarHBondContact O-CB 3.44Å; S515-L519 WeakPolarHBondContact O-CG 3.33Å; S515-L519 PolarHBondContact O-N 2.95Å |
| 516 | D | 60.7 | Low | 58.2 | Low | 65 Ų | 65 | 77.8 Ų | 77.8 | 35% | 0.348 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -28.4 | 170 | -61.5 | -15.6 | 0 | 0 | 0 | 110.3 | K512 K513 K520 | K512-D516 WeakPolarHBondContact O-CA 3.44Å; K512-D516 WeakPolarHBondContact O-CB 3.35Å; K512-D516 PolarHBondContact O-N 3.35Å; K513-D516 CarbonylContact O-C 3.58Å; D516-K520 WeakPolarHBondContact O-CA 3.46Å; D516-K520 VanDerWaalsContact O-CB 3.25Å; D516-K520 WeakPolarHBondContact O-CB 3.48Å; D516-K520 PolarHBondContact O-N 2.91Å |
| 517 | L | 51.6 | Low | 57.4 | Low | 76 Ų | 76 | 77 Ų | 77 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.2 | 167.8 | -115.2 | 76.2 | 0 | 0 | 0 | 114.8 | K513 Y514 S515 K520 Y521 | K513-L517 WeakPolarHBondContact O-CA 3.42Å; K513-L517 WeakPolarHBondContact O-CB 3.49Å; K513-L517 PolarHBondContact O-N 2.79Å; Y514-L517 CarbonylContact O-C 3.57Å; S515-L517 PolarHBondContact O-N 3.33Å; L517-K520 HydrophobicContact CD1-CD 4.22Å; L517-K520 HydrophobicContact CG-CB 4.41Å; L517-Y521 WeakPolarHBondContact O-CB 3.32Å; L517-Y521 PolarHBondContact O-N 3.45Å |
| 518 | E | 49.7 | Very low | 57.5 | Low | 93 Ų | 93 | 73.7 Ų | 73.7 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -85.4 | -63.3 | 174.7 | -172.7 | 158.5 | -148.1 | 0 | 0 | 105.5 | K271 Y514 S515 K520 Y521 N522 | K271-E518 VanDerWaalsContact CE-CG 3.44Å; K271-E518 IonicContact NZ-OE1 3.74Å; K271-E518 PolarHBondContact NZ-OE1 3.28Å; Y514-E518 WeakPolarHBondContact O-CA 3.28Å; Y514-E518 WeakPolarHBondContact O-CB 3.45Å; Y514-E518 PolarHBondContact O-N 2.88Å; S515-E518 CarbonylContact O-C 3.57Å; S515-E518 WeakPolarHBondContact O-CA 3.47Å; S515-E518 WeakPolarHBondContact O-CB 3.49Å; S515-E518 PolarHBondContact O-N 3.39Å; E518-K520 CarbonylContact O-C 3.57Å; E518-K520 PolarHBondContact O-N 3.1Å; E518-Y521 CarbonylContact O-C 3.49Å; E518-Y521 WeakPolarHBondContact O-CA 3.43Å; E518-Y521 PolarHBondContact O-N 3.32Å; E518-N522 WeakPolarHBondContact O-CA 3.45Å; E518-N522 WeakPolarHBondContact O-CB 3.42Å; E518-N522 PolarHBondContact O-N 2.96Å; E518-N522 PolarHBondContact O-OD1 2.93Å |
| 519 | L | 61.8 | Low | 57.4 | Low | 65 Ų | 65 | 72.6 Ų | 72.6 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -38.5 | -34.2 | 154.8 | -52.5 | 171.9 | 0 | 0 | 0 | 112.1 | E274 Q275 S515 N522 | E274-L519 CarbonylContact C-O 3.59Å; E274-L519 WeakPolarHBondContact CA-O 3.11Å; E274-L519 HydrophobicContact CB-CB 4.07Å; E274-L519 WeakPolarHBondContact CB-O 3.18Å; E274-L519 VanDerWaalsContact CD-CD2 3.43Å; E274-L519 WeakPolarHBondContact OE1-CD2 3.25Å; E274-L519 WeakPolarHBondContact OE2-CD2 3.47Å; Q275-L519 PolarHBondContact N-O 3.39Å; S515-L519 WeakPolarHBondContact O-CA 3.5Å; S515-L519 WeakPolarHBondContact O-CB 3.44Å; S515-L519 WeakPolarHBondContact O-CG 3.33Å; S515-L519 PolarHBondContact O-N 2.95Å; L519-N522 WeakPolarHBondContact CA-ND2 3.27Å; L519-N522 WeakPolarHBondContact O-CB 3.23Å |
| 520 | K | 53.6 | Low | 57.4 | Low | 31 Ų | 31 | 69.9 Ų | 69.9 | 14% | 0.135 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.9 | -73.9 | 163.2 | -117.8 | -175.1 | -157.7 | 84.6 | 0 | 110.6 | Q275 E278 L282 D516 L517 E518 N522 E523 | Q275-K520 WeakPolarHBondContact CA-O 3.41Å; Q275-K520 HydrophobicContact CB-CG 4.41Å; Q275-K520 WeakPolarHBondContact CB-O 3.36Å; Q275-K520 HydrophobicContact CG-CB 4.02Å; Q275-K520 HydrophobicContact CG-CG 3.82Å; Q275-K520 WeakPolarHBondContact CG-O 2.86Å; Q275-K520 PolarHBondContact N-O 3.04Å; Q275-K520 VanDerWaalsContact N-O 3.08Å; Q275-K520 PolarHBondContact OE1-O 2.71Å; E278-K520 HydrophobicContact CB-CD 4.44Å; E278-K520 HydrophobicContact CB-CG 3.78Å; E278-K520 IonicContact OE1-NZ 3.24Å; E278-K520 PolarHBondContact OE1-NZ 3.3Å; E278-K520 WeakPolarHBondContact OE2-CG 3.41Å; E278-K520 IonicContact OE2-NZ 2.69Å; E278-K520 PolarHBondContact OE2-NZ 3.41Å; L282-K520 VanDerWaalsContact CD1-CE 3.44Å; D516-K520 WeakPolarHBondContact O-CA 3.46Å; D516-K520 VanDerWaalsContact O-CB 3.25Å; D516-K520 WeakPolarHBondContact O-CB 3.48Å; D516-K520 PolarHBondContact O-N 2.91Å; L517-K520 HydrophobicContact CD1-CD 4.22Å; L517-K520 HydrophobicContact CG-CB 4.41Å; E518-K520 CarbonylContact O-C 3.57Å; E518-K520 PolarHBondContact O-N 3.1Å; K520-N522 CarbonylContact O-C 3.35Å; K520-N522 WeakPolarHBondContact O-CA 3.32Å; K520-N522 PolarHBondContact O-N 3.33Å; K520-E523 PolarHBondContact O-N 3.13Å; K520-E523 VanDerWaalsContact O-N 3.09Å |
| 521 | Y | 53.5 | Low | 57.6 | Low | 125 Ų | 125 | 70.1 Ų | 70.1 | 49% | 0.49 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -40.4 | -31.5 | -179.2 | -174.6 | -88 | 0 | 0 | 0 | 113.6 | K271 T272 Q275 L517 E518 E523 Q525 | K271-Y521 HydrophobicContact CD-CD1 3.97Å; K271-Y521 HydrophobicContact CD-CE1 4.39Å; K271-Y521 HydrophobicContact CG-CD1 3.97Å; K271-Y521 HydrophobicContact CG-CE1 4.32Å; T272-Y521 WeakPolarHBondContact CG2-O 3.42Å; Q275-Y521 PolarHBondContact OE1-O 2.91Å; Q275-Y521 VanDerWaalsContact OE1-O 3.09Å; L517-Y521 WeakPolarHBondContact O-CB 3.32Å; L517-Y521 PolarHBondContact O-N 3.45Å; E518-Y521 CarbonylContact O-C 3.49Å; E518-Y521 WeakPolarHBondContact O-CA 3.43Å; E518-Y521 PolarHBondContact O-N 3.32Å; Y521-E523 PolarHBondContact O-N 3.39Å; Y521-E523 VanDerWaalsContact O-N 3.14Å; Y521-Q525 PolarHBondContact OH-OE1 3.43Å |
| 522 | N | 58.1 | Low | 57.9 | Low | 13 Ų | 13 | 71.4 Ų | 71.4 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -56.3 | 32.1 | 162.9 | -56.9 | 8.9 | 0 | 0 | 0 | 118.3 | N270 K271 T272 N273 E274 E518 L519 K520 | N270-N522 WeakPolarHBondContact O-CB 3.18Å; K271-N522 HydrophobicContact CB-CB 4.19Å; K271-N522 VanDerWaalsContact CB-CG 3.46Å; K271-N522 WeakPolarHBondContact CB-OD1 3.43Å; K271-N522 WeakPolarHBondContact CE-OD1 3.4Å; K271-N522 WeakPolarHBondContact CG-OD1 3.18Å; T272-N522 CarbonylContact C-O 3.54Å; T272-N522 VanDerWaalsContact CA-C 3.43Å; T272-N522 VanDerWaalsContact CA-O 3.24Å; T272-N522 WeakPolarHBondContact CA-O 3.26Å; T272-N522 PolarHBondContact N-O 3.48Å; N273-N522 CarbonylContact C-O 3.56Å; N273-N522 VanDerWaalsContact CA-O 3.31Å; N273-N522 WeakPolarHBondContact CA-O 3.3Å; N273-N522 PolarHBondContact N-O 2.88Å; E274-N522 HydrophobicContact CB-CB 4.32Å; E274-N522 PolarHBondContact N-O 2.92Å; E274-N522 PolarHBondContact OE2-ND2 3.27Å; E518-N522 WeakPolarHBondContact O-CA 3.45Å; E518-N522 WeakPolarHBondContact O-CB 3.42Å; E518-N522 PolarHBondContact O-N 2.96Å; E518-N522 PolarHBondContact O-OD1 2.93Å; L519-N522 WeakPolarHBondContact CA-ND2 3.27Å; L519-N522 WeakPolarHBondContact O-CB 3.23Å; K520-N522 CarbonylContact O-C 3.35Å; K520-N522 WeakPolarHBondContact O-CA 3.32Å; K520-N522 PolarHBondContact O-N 3.33Å |
| 523 | E | 59.5 | Low | 58.1 | Low | 3 Ų | 3 | 69.3 Ų | 69.3 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -146.7 | -31.5 | 161.2 | -166.7 | 161.6 | 161.5 | 0 | 0 | 119.3 | T272 N273 E274 Q275 S276 N277 K280 K520 Y521 Q525 V526 Q527 | T272-E523 CarbonylContact O-C 3.05Å; T272-E523 WeakPolarHBondContact O-CA 3.41Å; T272-E523 VanDerWaalsContact O-O 3.11Å; N273-E523 VanDerWaalsContact C-CD 3.48Å; N273-E523 VanDerWaalsContact C-OE2 3.27Å; N273-E523 VanDerWaalsContact O-OE2 3.13Å; E274-E523 WeakPolarHBondContact CA-OE2 3.5Å; E274-E523 VanDerWaalsContact N-CB 3.34Å; E274-E523 PolarHBondContact N-OE2 3.42Å; Q275-E523 VanDerWaalsContact CA-CB 3.49Å; Q275-E523 HydrophobicContact CB-CB 3.39Å; Q275-E523 PolarHBondContact N-OE2 2.95Å; S276-E523 WeakPolarHBondContact CA-OE2 3.45Å; S276-E523 VanDerWaalsContact CB-CG 3.47Å; S276-E523 WeakPolarHBondContact CB-OE1 3.3Å; S276-E523 VanDerWaalsContact N-CD 3.25Å; S276-E523 PolarHBondContact N-OE2 3.38Å; N277-E523 PolarHBondContact N-OE1 3.02Å; N277-E523 PolarHBondContact N-OE2 3.37Å; N277-E523 PolarHBondContact ND2-OE1 3.47Å; N277-E523 PolarHBondContact ND2-OE2 3.4Å; K280-E523 IonicContact NZ-OE1 2.61Å; K520-E523 PolarHBondContact O-N 3.13Å; K520-E523 VanDerWaalsContact O-N 3.09Å; Y521-E523 PolarHBondContact O-N 3.39Å; Y521-E523 VanDerWaalsContact O-N 3.14Å; E523-Q525 PolarHBondContact O-N 3.13Å; E523-V526 PolarHBondContact O-N 3Å; E523-Q527 HydrophobicContact CG-CG 3.92Å; E523-Q527 PolarHBondContact O-N 2.97Å; E523-Q527 PolarHBondContact OE1-NE2 3.22Å |
| 524 | V | 44.9 | Very low | 58.3 | Low | 70 Ų | 70 | 68.7 Ų | 68.7 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.8 | -15.3 | -175.1 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | Q275 I279 Q527 L528 | Q275-V524 HydrophobicContact CB-CG2 4.11Å; Q275-V524 HydrophobicContact CG-CG2 3.95Å; I279-V524 HydrophobicContact CD1-CG2 3.89Å; V524-Q527 CarbonylContact O-C 3.58Å; V524-L528 WeakPolarHBondContact O-CA 3.25Å; V524-L528 VanDerWaalsContact O-CB 3.22Å; V524-L528 WeakPolarHBondContact O-CB 3.25Å; V524-L528 PolarHBondContact O-N 2.72Å |
| 525 | Q | 58.2 | Low | 58.8 | Low | 54 Ų | 54 | 65.5 Ų | 65.5 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -115.1 | 6.1 | -175.3 | 169.6 | 179.2 | 22.6 | 0 | 0 | 119.1 | I268 T272 Y521 E523 L528 N529 | I268-Q525 HydrophobicContact CG2-CG 4.39Å; T272-Q525 HydrophobicContact CG2-CB 3.54Å; T272-Q525 HydrophobicContact CG2-CG 4.39Å; T272-Q525 VanDerWaalsContact CG2-N 3.34Å; T272-Q525 WeakPolarHBondContact OG1-CA 3.29Å; T272-Q525 WeakPolarHBondContact OG1-CB 3.27Å; T272-Q525 WeakPolarHBondContact OG1-CG 3.08Å; T272-Q525 PolarHBondContact OG1-O 3.49Å; Y521-Q525 PolarHBondContact OH-OE1 3.43Å; E523-Q525 PolarHBondContact O-N 3.13Å; Q525-L528 VanDerWaalsContact CA-CB 3.49Å; Q525-L528 HydrophobicContact CB-CB 4.02Å; Q525-L528 HydrophobicContact CG-CB 4.45Å; Q525-N529 VanDerWaalsContact C-N 3.34Å; Q525-N529 WeakPolarHBondContact O-CA 3.23Å; Q525-N529 WeakPolarHBondContact O-CB 3.33Å; Q525-N529 PolarHBondContact O-N 3.35Å; Q525-N529 PolarHBondContact O-ND2 2.97Å; Q525-N529 VanDerWaalsContact O-ND2 3.09Å; Q525-N529 PolarHBondContact O-OD1 3.23Å |
| 526 | V | 62.7 | Low | 59.1 | Low | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -101.3 | -19.4 | 144.8 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | I269 T272 E523 L528 T530 | I269-V526 VanDerWaalsContact CA-CG2 3.4Å; I269-V526 HydrophobicContact CB-CG2 3.64Å; I269-V526 HydrophobicContact CG1-CG2 3.71Å; I269-V526 HydrophobicContact CG2-CG2 3.54Å; I269-V526 WeakPolarHBondContact O-CG2 3.42Å; T272-V526 VanDerWaalsContact O-CA 3.31Å; T272-V526 WeakPolarHBondContact O-CA 3.14Å; T272-V526 WeakPolarHBondContact O-CB 3.49Å; T272-V526 VanDerWaalsContact O-CG2 3.3Å; T272-V526 WeakPolarHBondContact O-CG2 3.37Å; T272-V526 PolarHBondContact O-N 2.94Å; T272-V526 PolarHBondContact OG1-N 3.3Å; E523-V526 PolarHBondContact O-N 3Å; V526-L528 VanDerWaalsContact C-N 3.34Å; V526-T530 WeakPolarHBondContact CG1-OG1 3.16Å; V526-T530 VanDerWaalsContact O-CA 3.27Å; V526-T530 WeakPolarHBondContact O-CA 3.39Å; V526-T530 WeakPolarHBondContact O-CB 3.14Å; V526-T530 PolarHBondContact O-N 2.9Å; V526-T530 PolarHBondContact O-OG1 3.34Å |
| 527 | Q | 50.2 | Low | 59.5 | Low | 70 Ų | 70 | 68.3 Ų | 68.3 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 152.9 | -64.3 | -170 | -3.8 | 0 | 0 | 109.3 | S276 E523 V524 V531 | S276-Q527 PolarHBondContact OG-OE1 2.73Å; E523-Q527 HydrophobicContact CG-CG 3.92Å; E523-Q527 PolarHBondContact O-N 2.97Å; E523-Q527 PolarHBondContact OE1-NE2 3.22Å; V524-Q527 CarbonylContact O-C 3.58Å; Q527-V531 WeakPolarHBondContact O-CA 3.2Å; Q527-V531 WeakPolarHBondContact O-CB 3.41Å; Q527-V531 WeakPolarHBondContact O-CG2 3.47Å; Q527-V531 PolarHBondContact O-N 2.99Å |
| 528 | L | 57.3 | Low | 60.2 | Low | 90 Ų | 90 | 68.6 Ų | 68.6 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.6 | -44.2 | 169.9 | -149.2 | 75.2 | 0 | 0 | 0 | 113.7 | V524 Q525 V526 V531 Q532 | V524-L528 WeakPolarHBondContact O-CA 3.25Å; V524-L528 VanDerWaalsContact O-CB 3.22Å; V524-L528 WeakPolarHBondContact O-CB 3.25Å; V524-L528 PolarHBondContact O-N 2.72Å; Q525-L528 VanDerWaalsContact CA-CB 3.49Å; Q525-L528 HydrophobicContact CB-CB 4.02Å; Q525-L528 HydrophobicContact CG-CB 4.45Å; V526-L528 VanDerWaalsContact C-N 3.34Å; L528-V531 CarbonylContact O-C 3.59Å; L528-V531 PolarHBondContact O-N 3.34Å; L528-Q532 WeakPolarHBondContact O-CA 3.36Å; L528-Q532 WeakPolarHBondContact O-CB 3.48Å; L528-Q532 PolarHBondContact O-N 3.36Å |
| 529 | N | 65.3 | Low | 61.1 | Low | 36 Ų | 36 | 67.6 Ų | 67.6 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -76.7 | -23 | -178.9 | -68.4 | -19 | 0 | 0 | 0 | 112.5 | Q525 N533 | Q525-N529 VanDerWaalsContact C-N 3.34Å; Q525-N529 WeakPolarHBondContact O-CA 3.23Å; Q525-N529 WeakPolarHBondContact O-CB 3.33Å; Q525-N529 PolarHBondContact O-N 3.35Å; Q525-N529 PolarHBondContact O-ND2 2.97Å; Q525-N529 VanDerWaalsContact O-ND2 3.09Å; Q525-N529 PolarHBondContact O-OD1 3.23Å; N529-N533 WeakPolarHBondContact O-CA 3.48Å; N529-N533 WeakPolarHBondContact O-CB 3.17Å; N529-N533 PolarHBondContact O-N 3.41Å; N529-N533 PolarHBondContact O-ND2 3.08Å |
| 530 | T | 67.5 | Low | 61.5 | Low | 53 Ų | 53 | 67.1 Ų | 67.1 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.8 | -39.9 | 167.2 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | V526 Q532 H534 | V526-T530 WeakPolarHBondContact CG1-OG1 3.16Å; V526-T530 VanDerWaalsContact O-CA 3.27Å; V526-T530 WeakPolarHBondContact O-CA 3.39Å; V526-T530 WeakPolarHBondContact O-CB 3.14Å; V526-T530 PolarHBondContact O-N 2.9Å; V526-T530 PolarHBondContact O-OG1 3.34Å; T530-Q532 PolarHBondContact O-N 3.45Å; T530-H534 VanDerWaalsContact CG2-CE1 3.41Å; T530-H534 WeakPolarHBondContact CG2-CE1 3.39Å; T530-H534 WeakPolarHBondContact CG2-NE2 3.48Å; T530-H534 WeakPolarHBondContact O-CA 3.38Å; T530-H534 WeakPolarHBondContact O-CB 3.32Å; T530-H534 PolarHBondContact O-N 3.3Å; T530-H534 PolarHBondContact O-ND1 3.08Å |
| 531 | V | 57.7 | Low | 62.1 | Low | 93 Ų | 93 | 69 Ų | 69 | 56% | 0.564 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.2 | -32.2 | 170.6 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | Q527 L528 H534 L535 | Q527-V531 WeakPolarHBondContact O-CA 3.2Å; Q527-V531 WeakPolarHBondContact O-CB 3.41Å; Q527-V531 WeakPolarHBondContact O-CG2 3.47Å; Q527-V531 PolarHBondContact O-N 2.99Å; L528-V531 CarbonylContact O-C 3.59Å; L528-V531 PolarHBondContact O-N 3.34Å; V531-H534 CarbonylContact O-C 3.57Å; V531-L535 WeakPolarHBondContact O-CA 3.32Å; V531-L535 WeakPolarHBondContact O-CB 3.42Å; V531-L535 PolarHBondContact O-N 3.46Å |
| 532 | Q | 62.9 | Low | 62.9 | Low | 87 Ų | 87 | 67.8 Ų | 67.8 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -85.5 | -37.1 | 178 | -174.9 | 167.4 | -25.2 | 0 | 0 | 112.2 | L528 T530 H534 L535 E536 | L528-Q532 WeakPolarHBondContact O-CA 3.36Å; L528-Q532 WeakPolarHBondContact O-CB 3.48Å; L528-Q532 PolarHBondContact O-N 3.36Å; T530-Q532 PolarHBondContact O-N 3.45Å; Q532-H534 PolarHBondContact O-N 3.5Å; Q532-L535 CarbonylContact O-C 3.6Å; Q532-L535 PolarHBondContact O-N 3.06Å; Q532-L535 VanDerWaalsContact O-N 3.16Å; Q532-E536 HydrophobicContact CG-CG 4.28Å; Q532-E536 WeakPolarHBondContact CG-OE1 3.5Å; Q532-E536 PolarHBondContact NE2-OE1 3.18Å; Q532-E536 VanDerWaalsContact O-CB 3.26Å; Q532-E536 WeakPolarHBondContact O-CB 3.25Å; Q532-E536 VanDerWaalsContact O-CG 3.31Å; Q532-E536 WeakPolarHBondContact O-CG 3.3Å; Q532-E536 PolarHBondContact O-N 3.22Å |
| 533 | N | 70.2 | Confident | 63.4 | Low | 86 Ų | 86 | 73.3 Ų | 73.3 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.8 | -30.9 | 166.7 | -74.4 | -26.7 | 0 | 0 | 0 | 110.9 | N529 S537 | N529-N533 WeakPolarHBondContact O-CA 3.48Å; N529-N533 WeakPolarHBondContact O-CB 3.17Å; N529-N533 PolarHBondContact O-N 3.41Å; N529-N533 PolarHBondContact O-ND2 3.08Å; N533-S537 WeakPolarHBondContact O-CA 3.45Å; N533-S537 WeakPolarHBondContact O-CB 3.31Å; N533-S537 PolarHBondContact O-N 3.03Å; N533-S537 PolarHBondContact O-OG 2.98Å |
| 534 | H | 65.7 | Low | 63.8 | Low | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.4 | -38.6 | 168.9 | -72.1 | 4.3 | 0 | 0 | 0 | 110.7 | T530 V531 Q532 S537 T538 | T530-H534 VanDerWaalsContact CG2-CE1 3.41Å; T530-H534 WeakPolarHBondContact CG2-CE1 3.39Å; T530-H534 WeakPolarHBondContact CG2-NE2 3.48Å; T530-H534 WeakPolarHBondContact O-CA 3.38Å; T530-H534 WeakPolarHBondContact O-CB 3.32Å; T530-H534 PolarHBondContact O-N 3.3Å; T530-H534 PolarHBondContact O-ND1 3.08Å; V531-H534 CarbonylContact O-C 3.57Å; Q532-H534 PolarHBondContact O-N 3.5Å; H534-S537 CarbonylContact O-C 3.09Å; H534-S537 PolarHBondContact O-N 2.84Å; H534-T538 WeakPolarHBondContact O-CA 3.31Å; H534-T538 WeakPolarHBondContact O-CB 3.31Å; H534-T538 PolarHBondContact O-N 3.15Å; H534-T538 PolarHBondContact O-OG1 2.79Å |
| 535 | L | 63.7 | Low | 64.8 | Low | 97 Ų | 97 | 76.5 Ų | 76.5 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 176.3 | -170.9 | 65.3 | 0 | 0 | 0 | 111.5 | V531 Q532 N539 | V531-L535 WeakPolarHBondContact O-CA 3.32Å; V531-L535 WeakPolarHBondContact O-CB 3.42Å; V531-L535 PolarHBondContact O-N 3.46Å; Q532-L535 CarbonylContact O-C 3.6Å; Q532-L535 PolarHBondContact O-N 3.06Å; Q532-L535 VanDerWaalsContact O-N 3.16Å; L535-N539 WeakPolarHBondContact O-CA 3.46Å; L535-N539 WeakPolarHBondContact O-CB 3.42Å; L535-N539 PolarHBondContact O-N 3.43Å; L535-N539 PolarHBondContact O-ND2 3.38Å; L535-N539 VanDerWaalsContact O-ND2 3.14Å |
| 536 | E | 67 | Low | 65 | Low | 105 Ų | 105 | 78.5 Ų | 78.5 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.8 | -36.8 | 173.4 | -71.8 | 175.7 | -156.9 | 0 | 0 | 111 | Q532 A540 | Q532-E536 HydrophobicContact CG-CG 4.28Å; Q532-E536 WeakPolarHBondContact CG-OE1 3.5Å; Q532-E536 PolarHBondContact NE2-OE1 3.18Å; Q532-E536 VanDerWaalsContact O-CB 3.26Å; Q532-E536 WeakPolarHBondContact O-CB 3.25Å; Q532-E536 VanDerWaalsContact O-CG 3.31Å; Q532-E536 WeakPolarHBondContact O-CG 3.3Å; Q532-E536 PolarHBondContact O-N 3.22Å; E536-A540 WeakPolarHBondContact O-CB 3.42Å; E536-A540 PolarHBondContact O-N 3.28Å |
| 537 | S | 68.7 | Low | 65.5 | Low | 63 Ų | 63 | 82.1 Ų | 82.1 | 44% | 0.441 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 170.6 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | N533 H534 L541 | N533-S537 WeakPolarHBondContact O-CA 3.45Å; N533-S537 WeakPolarHBondContact O-CB 3.31Å; N533-S537 PolarHBondContact O-N 3.03Å; N533-S537 PolarHBondContact O-OG 2.98Å; H534-S537 CarbonylContact O-C 3.09Å; H534-S537 PolarHBondContact O-N 2.84Å; S537-L541 WeakPolarHBondContact O-CB 3.46Å; S537-L541 WeakPolarHBondContact O-CD1 3.42Å; S537-L541 WeakPolarHBondContact O-CG 3.33Å; S537-L541 PolarHBondContact O-N 3.47Å |
| 538 | T | 66.8 | Low | 66.5 | Low | 82 Ų | 82 | 82.6 Ų | 82.6 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -75.4 | -34.3 | 176 | -69.4 | 0 | 0 | 0 | 0 | 110.2 | H534 L541 K542 | H534-T538 WeakPolarHBondContact O-CA 3.31Å; H534-T538 WeakPolarHBondContact O-CB 3.31Å; H534-T538 PolarHBondContact O-N 3.15Å; H534-T538 PolarHBondContact O-OG1 2.79Å; T538-L541 CarbonylContact O-C 3.52Å; T538-K542 WeakPolarHBondContact O-CA 3.22Å; T538-K542 WeakPolarHBondContact O-CB 3.34Å; T538-K542 PolarHBondContact O-N 2.92Å |
| 539 | N | 67 | Low | 66.9 | Low | 72 Ų | 72 | 82.5 Ų | 82.5 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.6 | -39.4 | 170 | -76.5 | -26.6 | 0 | 0 | 0 | 111.2 | L535 K542 E543 | L535-N539 WeakPolarHBondContact O-CA 3.46Å; L535-N539 WeakPolarHBondContact O-CB 3.42Å; L535-N539 PolarHBondContact O-N 3.43Å; L535-N539 PolarHBondContact O-ND2 3.38Å; L535-N539 VanDerWaalsContact O-ND2 3.14Å; N539-K542 CarbonylContact O-C 3.21Å; N539-K542 WeakPolarHBondContact O-CB 2.85Å; N539-K542 PolarHBondContact O-N 2.96Å; N539-E543 WeakPolarHBondContact O-CB 3.35Å; N539-E543 WeakPolarHBondContact O-CG 3.18Å; N539-E543 PolarHBondContact O-N 2.79Å |
| 540 | A | 70.3 | Confident | 66.9 | Low | 55 Ų | 55 | 85.2 Ų | 85.2 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E536 K542 E543 E544 | E536-A540 WeakPolarHBondContact O-CB 3.42Å; E536-A540 PolarHBondContact O-N 3.28Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 3.01Å; A540-E543 PolarHBondContact O-N 3.48Å; A540-E544 VanDerWaalsContact O-CB 3.25Å; A540-E544 WeakPolarHBondContact O-CB 3.14Å; A540-E544 PolarHBondContact O-N 2.94Å |
| 541 | L | 67.8 | Low | 67.1 | Low | 70 Ų | 70 | 86.3 Ų | 86.3 | 37% | 0.366 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.8 | -27.4 | 171.4 | -77.3 | 164.1 | 0 | 0 | 0 | 112 | S537 T538 L545 | S537-L541 WeakPolarHBondContact O-CB 3.46Å; S537-L541 WeakPolarHBondContact O-CD1 3.42Å; S537-L541 WeakPolarHBondContact O-CG 3.33Å; S537-L541 PolarHBondContact O-N 3.47Å; T538-L541 CarbonylContact O-C 3.52Å; L541-L545 WeakPolarHBondContact O-CB 2.92Å; L541-L545 WeakPolarHBondContact O-CD1 3.5Å; L541-L545 WeakPolarHBondContact O-CG 3.43Å; L541-L545 PolarHBondContact O-N 2.85Å |
| 542 | K | 68.7 | Low | 67.3 | Low | 100 Ų | 100 | 86.5 Ų | 86.5 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.9 | -44.6 | 174.1 | -177.4 | -158.8 | 167.1 | -141.8 | 0 | 110.3 | T538 N539 A540 L545 E546 | T538-K542 WeakPolarHBondContact O-CA 3.22Å; T538-K542 WeakPolarHBondContact O-CB 3.34Å; T538-K542 PolarHBondContact O-N 2.92Å; N539-K542 CarbonylContact O-C 3.21Å; N539-K542 WeakPolarHBondContact O-CB 2.85Å; N539-K542 PolarHBondContact O-N 2.96Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 3.01Å; K542-L545 CarbonylContact O-C 3.14Å; K542-L545 WeakPolarHBondContact O-CA 3.47Å; K542-L545 PolarHBondContact O-N 2.97Å; K542-L545 VanDerWaalsContact O-N 3.16Å; K542-E546 WeakPolarHBondContact CE-OE1 3.33Å; K542-E546 HydrophobicContact CG-CG 4.49Å; K542-E546 IonicContact NZ-OE1 2.66Å; K542-E546 PolarHBondContact NZ-OE1 2.79Å; K542-E546 IonicContact NZ-OE2 2.78Å; K542-E546 WeakPolarHBondContact O-CB 3.49Å; K542-E546 WeakPolarHBondContact O-CG 3.41Å; K542-E546 PolarHBondContact O-N 3.38Å |
| 543 | E | 68.5 | Low | 67.5 | Low | 129 Ų | 129 | 87.2 Ų | 87.2 | 60% | 0.603 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 172.5 | -73.7 | 178.3 | -174.2 | 0 | 0 | 110.4 | N539 A540 L545 E546 V547 | N539-E543 WeakPolarHBondContact O-CB 3.35Å; N539-E543 WeakPolarHBondContact O-CG 3.18Å; N539-E543 PolarHBondContact O-N 2.79Å; A540-E543 PolarHBondContact O-N 3.48Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.27Å; E543-E546 PolarHBondContact O-N 3.18Å; E543-V547 WeakPolarHBondContact O-CB 3.43Å; E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.49Å; E543-V547 PolarHBondContact O-N 3.22Å |
| 544 | E | 69.8 | Low | 67.6 | Low | 85 Ų | 85 | 86 Ų | 86 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 171.3 | -163.2 | -158.9 | 147.5 | 0 | 0 | 111.6 | A540 K548 | A540-E544 VanDerWaalsContact O-CB 3.25Å; A540-E544 WeakPolarHBondContact O-CB 3.14Å; A540-E544 PolarHBondContact O-N 2.94Å; E544-K548 HydrophobicContact CG-CD 4.27Å; E544-K548 WeakPolarHBondContact O-CB 3.44Å; E544-K548 WeakPolarHBondContact O-CG 3.19Å; E544-K548 PolarHBondContact O-N 2.91Å; E544-K548 VanDerWaalsContact OE1-CE 3.23Å; E544-K548 WeakPolarHBondContact OE1-CE 3.05Å; E544-K548 IonicContact OE1-NZ 2.71Å; E544-K548 PolarHBondContact OE1-NZ 3.47Å |
| 545 | L | 65.8 | Low | 67.8 | Low | 54 Ų | 54 | 83.7 Ų | 83.7 | 28% | 0.283 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.6 | -34.6 | 173.8 | -81.4 | 166.9 | 0 | 0 | 0 | 113 | L541 K542 E543 K548 I549 K619 | L541-L545 WeakPolarHBondContact O-CB 2.92Å; L541-L545 WeakPolarHBondContact O-CD1 3.5Å; L541-L545 WeakPolarHBondContact O-CG 3.43Å; L541-L545 PolarHBondContact O-N 2.85Å; K542-L545 CarbonylContact O-C 3.14Å; K542-L545 WeakPolarHBondContact O-CA 3.47Å; K542-L545 PolarHBondContact O-N 2.97Å; K542-L545 VanDerWaalsContact O-N 3.16Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.27Å; L545-K548 CarbonylContact O-C 3.59Å; L545-K548 PolarHBondContact O-N 3.08Å; L545-I549 WeakPolarHBondContact O-CA 3.4Å; L545-I549 WeakPolarHBondContact O-CB 3.09Å; L545-I549 WeakPolarHBondContact O-CD1 3.36Å; L545-I549 WeakPolarHBondContact O-CG1 3.5Å; L545-I549 PolarHBondContact O-N 3Å; L545-K619 HydrophobicContact CD1-CD 4.2Å; L545-K619 HydrophobicContact CD2-CD 4.19Å |
| 546 | E | 62.3 | Low | 67.7 | Low | 96 Ų | 96 | 83.8 Ų | 83.8 | 45% | 0.449 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.8 | -38.4 | 176.7 | -78 | 177.1 | 161.8 | 0 | 0 | 110 | K542 E543 T550 | K542-E546 WeakPolarHBondContact CE-OE1 3.33Å; K542-E546 HydrophobicContact CG-CG 4.49Å; K542-E546 IonicContact NZ-OE1 2.66Å; K542-E546 PolarHBondContact NZ-OE1 2.79Å; K542-E546 IonicContact NZ-OE2 2.78Å; K542-E546 WeakPolarHBondContact O-CB 3.49Å; K542-E546 WeakPolarHBondContact O-CG 3.41Å; K542-E546 PolarHBondContact O-N 3.38Å; E543-E546 PolarHBondContact O-N 3.18Å; E546-T550 WeakPolarHBondContact O-CB 3.29Å; E546-T550 PolarHBondContact O-N 3.34Å; E546-T550 PolarHBondContact O-OG1 2.72Å |
| 547 | V | 72.7 | Confident | 67.9 | Low | 87 Ų | 87 | 81.7 Ų | 81.7 | 53% | 0.527 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.6 | -51.3 | 166.7 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | E543 I549 T550 D551 | E543-V547 WeakPolarHBondContact O-CB 3.43Å; E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.49Å; E543-V547 PolarHBondContact O-N 3.22Å; V547-I549 VanDerWaalsContact C-N 3.31Å; V547-I549 PolarHBondContact O-N 2.93Å; V547-T550 CarbonylContact O-C 3.45Å; V547-T550 WeakPolarHBondContact O-CA 3.42Å; V547-T550 WeakPolarHBondContact O-CB 3.31Å; V547-T550 PolarHBondContact O-N 3.45Å; V547-T550 VanDerWaalsContact O-N 3.07Å; V547-D551 PolarHBondContact O-N 3.04Å |
| 548 | K | 70.1 | Confident | 67.8 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 35% | 0.352 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.3 | -28 | 178.5 | -78.8 | 174.8 | 169.7 | 178.8 | 0 | 113.9 | E544 L545 L552 | E544-K548 HydrophobicContact CG-CD 4.27Å; E544-K548 WeakPolarHBondContact O-CB 3.44Å; E544-K548 WeakPolarHBondContact O-CG 3.19Å; E544-K548 PolarHBondContact O-N 2.91Å; E544-K548 VanDerWaalsContact OE1-CE 3.23Å; E544-K548 WeakPolarHBondContact OE1-CE 3.05Å; E544-K548 IonicContact OE1-NZ 2.71Å; E544-K548 PolarHBondContact OE1-NZ 3.47Å; L545-K548 CarbonylContact O-C 3.59Å; L545-K548 PolarHBondContact O-N 3.08Å; K548-L552 WeakPolarHBondContact O-CB 3.47Å; K548-L552 WeakPolarHBondContact O-CD1 3.49Å; K548-L552 WeakPolarHBondContact O-CG 3.03Å; K548-L552 PolarHBondContact O-N 2.92Å |
| 549 | I | 65.8 | Low | 67.8 | Low | 88 Ų | 88 | 83 Ų | 83 | 45% | 0.451 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74 | -38.3 | 172.2 | -76 | 162.8 | 0 | 0 | 0 | 109.6 | L545 V547 L552 L553 | L545-I549 WeakPolarHBondContact O-CA 3.4Å; L545-I549 WeakPolarHBondContact O-CB 3.09Å; L545-I549 WeakPolarHBondContact O-CD1 3.36Å; L545-I549 WeakPolarHBondContact O-CG1 3.5Å; L545-I549 PolarHBondContact O-N 3Å; V547-I549 VanDerWaalsContact C-N 3.31Å; V547-I549 PolarHBondContact O-N 2.93Å; I549-L552 PolarHBondContact O-N 3.07Å; I549-L553 HydrophobicContact CG2-CD1 3.93Å; I549-L553 HydrophobicContact CG2-CG 4.37Å; I549-L553 VanDerWaalsContact O-CB 3.31Å; I549-L553 WeakPolarHBondContact O-CB 3.48Å; I549-L553 VanDerWaalsContact O-CG 3.23Å; I549-L553 WeakPolarHBondContact O-CG 3.38Å; I549-L553 PolarHBondContact O-N 2.69Å |
| 550 | T | 66.8 | Low | 67.5 | Low | 93 Ų | 93 | 85 Ų | 85 | 57% | 0.571 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 172.5 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | E546 V547 L553 K554 | E546-T550 WeakPolarHBondContact O-CB 3.29Å; E546-T550 PolarHBondContact O-N 3.34Å; E546-T550 PolarHBondContact O-OG1 2.72Å; V547-T550 CarbonylContact O-C 3.45Å; V547-T550 WeakPolarHBondContact O-CA 3.42Å; V547-T550 WeakPolarHBondContact O-CB 3.31Å; V547-T550 PolarHBondContact O-N 3.45Å; V547-T550 VanDerWaalsContact O-N 3.07Å; T550-L553 PolarHBondContact O-N 2.84Å; T550-K554 WeakPolarHBondContact O-CB 3.48Å; T550-K554 PolarHBondContact O-N 3.4Å |
| 551 | D | 70.8 | Confident | 67.4 | Low | 76 Ų | 76 | 86.2 Ų | 86.2 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 173.6 | -72.9 | -31.8 | 0 | 0 | 0 | 112.2 | V547 K554 V555 | V547-D551 PolarHBondContact O-N 3.04Å; D551-K554 WeakPolarHBondContact O-CB 3.09Å; D551-K554 PolarHBondContact O-N 2.84Å; D551-V555 VanDerWaalsContact O-CB 3.31Å; D551-V555 WeakPolarHBondContact O-CB 3.12Å; D551-V555 VanDerWaalsContact O-CG2 3.25Å; D551-V555 WeakPolarHBondContact O-CG2 3.34Å; D551-V555 PolarHBondContact O-N 3.33Å |
| 552 | L | 61.5 | Low | 67.2 | Low | 96 Ų | 96 | 87.8 Ų | 87.8 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.1 | -33.8 | 175.7 | -80.2 | 167.6 | 0 | 0 | 0 | 112.6 | K548 I549 Q556 | K548-L552 WeakPolarHBondContact O-CB 3.47Å; K548-L552 WeakPolarHBondContact O-CD1 3.49Å; K548-L552 WeakPolarHBondContact O-CG 3.03Å; K548-L552 PolarHBondContact O-N 2.92Å; I549-L552 PolarHBondContact O-N 3.07Å; L552-Q556 WeakPolarHBondContact O-CB 3.23Å; L552-Q556 PolarHBondContact O-N 2.85Å |
| 553 | L | 67.8 | Low | 67 | Low | 103 Ų | 103 | 87 Ų | 87 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 171.9 | -74.5 | 169.1 | 0 | 0 | 0 | 111 | I549 T550 Q556 S557 | I549-L553 HydrophobicContact CG2-CD1 3.93Å; I549-L553 HydrophobicContact CG2-CG 4.37Å; I549-L553 VanDerWaalsContact O-CB 3.31Å; I549-L553 WeakPolarHBondContact O-CB 3.48Å; I549-L553 VanDerWaalsContact O-CG 3.23Å; I549-L553 WeakPolarHBondContact O-CG 3.38Å; I549-L553 PolarHBondContact O-N 2.69Å; T550-L553 PolarHBondContact O-N 2.84Å; L553-Q556 PolarHBondContact O-N 3.32Å; L553-S557 PolarHBondContact O-N 3.49Å |
| 554 | K | 71.7 | Confident | 66.9 | Low | 61 Ų | 61 | 84.2 Ų | 84.2 | 27% | 0.265 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -53 | 169.7 | 178.4 | -173.8 | 171.5 | -170.9 | 0 | 110.8 | T550 D551 Q556 S557 E558 E947 | T550-K554 WeakPolarHBondContact O-CB 3.48Å; T550-K554 PolarHBondContact O-N 3.4Å; D551-K554 WeakPolarHBondContact O-CB 3.09Å; D551-K554 PolarHBondContact O-N 2.84Å; K554-Q556 VanDerWaalsContact C-N 3.26Å; K554-Q556 PolarHBondContact O-N 2.64Å; K554-S557 CarbonylContact O-C 3.58Å; K554-S557 WeakPolarHBondContact O-CA 3.25Å; K554-S557 WeakPolarHBondContact O-CB 3.42Å; K554-S557 PolarHBondContact O-N 3.39Å; K554-S557 PolarHBondContact O-OG 3.44Å; K554-E558 WeakPolarHBondContact CE-OE1 3.39Å; K554-E558 WeakPolarHBondContact O-CG 3.24Å; K554-E558 PolarHBondContact O-N 2.96Å; K554-E947 WeakPolarHBondContact CE-OE2 3.44Å; K554-E947 IonicContact NZ-OE1 2.79Å; K554-E947 PolarHBondContact NZ-OE1 3.33Å; K554-E947 IonicContact NZ-OE2 2.62Å; K554-E947 PolarHBondContact NZ-OE2 2.85Å |
| 555 | V | 70 | Confident | 66.4 | Low | 65 Ų | 65 | 84.8 Ų | 84.8 | 39% | 0.394 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.8 | -31.1 | 175.7 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | D551 E558 L559 | D551-V555 VanDerWaalsContact O-CB 3.31Å; D551-V555 WeakPolarHBondContact O-CB 3.12Å; D551-V555 VanDerWaalsContact O-CG2 3.25Å; D551-V555 WeakPolarHBondContact O-CG2 3.34Å; D551-V555 PolarHBondContact O-N 3.33Å; V555-E558 PolarHBondContact O-N 3.36Å; V555-L559 HydrophobicContact CG1-CD1 4.27Å; V555-L559 VanDerWaalsContact O-CB 3.31Å; V555-L559 WeakPolarHBondContact O-CB 3.46Å; V555-L559 PolarHBondContact O-N 3.44Å |
| 556 | Q | 61.7 | Low | 65.8 | Low | 99 Ų | 99 | 86.4 Ų | 86.4 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 170.7 | -178.9 | 179.5 | -24.4 | 0 | 0 | 110.9 | L552 L553 K554 E558 L559 E560 | L552-Q556 WeakPolarHBondContact O-CB 3.23Å; L552-Q556 PolarHBondContact O-N 2.85Å; L553-Q556 PolarHBondContact O-N 3.32Å; K554-Q556 VanDerWaalsContact C-N 3.26Å; K554-Q556 PolarHBondContact O-N 2.64Å; Q556-E558 VanDerWaalsContact C-N 3.29Å; Q556-E558 PolarHBondContact O-N 3.48Å; Q556-L559 CarbonylContact O-C 3.54Å; Q556-L559 PolarHBondContact O-N 2.9Å; Q556-L559 VanDerWaalsContact O-N 3.16Å; Q556-E560 HydrophobicContact CG-CG 4.41Å; Q556-E560 WeakPolarHBondContact CG-OE1 3.45Å; Q556-E560 PolarHBondContact NE2-OE1 3.41Å; Q556-E560 WeakPolarHBondContact O-CB 3.3Å; Q556-E560 WeakPolarHBondContact O-CG 3.19Å; Q556-E560 PolarHBondContact O-N 2.89Å |
| 557 | S | 70.9 | Confident | 65.6 | Low | 60 Ų | 60 | 89.7 Ų | 89.7 | 42% | 0.42 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 174.6 | 80.4 | 0 | 0 | 0 | 0 | 112.3 | L553 K554 T561 | L553-S557 PolarHBondContact O-N 3.49Å; K554-S557 CarbonylContact O-C 3.58Å; K554-S557 WeakPolarHBondContact O-CA 3.25Å; K554-S557 WeakPolarHBondContact O-CB 3.42Å; K554-S557 PolarHBondContact O-N 3.39Å; K554-S557 PolarHBondContact O-OG 3.44Å; S557-T561 WeakPolarHBondContact O-CB 3.16Å; S557-T561 WeakPolarHBondContact O-CG2 3.28Å; S557-T561 PolarHBondContact O-N 2.84Å; S557-T561 PolarHBondContact O-OG1 2.91Å |
| 558 | E | 68 | Low | 64.7 | Low | 73 Ų | 73 | 91.9 Ų | 91.9 | 34% | 0.341 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.2 | -38.5 | 171.3 | -69.5 | 174 | -163.6 | 0 | 0 | 111.3 | K554 V555 Q556 T561 M562 | K554-E558 WeakPolarHBondContact CE-OE1 3.39Å; K554-E558 WeakPolarHBondContact O-CG 3.24Å; K554-E558 PolarHBondContact O-N 2.96Å; V555-E558 PolarHBondContact O-N 3.36Å; Q556-E558 VanDerWaalsContact C-N 3.29Å; Q556-E558 PolarHBondContact O-N 3.48Å; E558-T561 WeakPolarHBondContact CA-OG1 3.47Å; E558-T561 PolarHBondContact O-OG1 3.41Å; E558-T561 VanDerWaalsContact O-OG1 3.1Å; E558-M562 WeakPolarHBondContact O-CB 3.2Å; E558-M562 WeakPolarHBondContact O-CG 3.21Å; E558-M562 PolarHBondContact O-N 2.79Å |
| 559 | L | 66.2 | Low | 64 | Low | 99 Ų | 99 | 92 Ų | 92 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 173.6 | -97.8 | 161.8 | 0 | 0 | 0 | 112.6 | V555 Q556 M562 V563 | V555-L559 HydrophobicContact CG1-CD1 4.27Å; V555-L559 VanDerWaalsContact O-CB 3.31Å; V555-L559 WeakPolarHBondContact O-CB 3.46Å; V555-L559 PolarHBondContact O-N 3.44Å; Q556-L559 CarbonylContact O-C 3.54Å; Q556-L559 PolarHBondContact O-N 2.9Å; Q556-L559 VanDerWaalsContact O-N 3.16Å; L559-M562 CarbonylContact O-C 3.59Å; L559-M562 PolarHBondContact O-N 2.9Å; L559-V563 VanDerWaalsContact O-CB 3.26Å; L559-V563 WeakPolarHBondContact O-CB 3.49Å; L559-V563 WeakPolarHBondContact O-CG2 3.24Å; L559-V563 PolarHBondContact O-N 3.5Å |
| 560 | E | 60 | Low | 63.4 | Low | 115 Ų | 115 | 94 Ų | 94 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 177.1 | -74.8 | 178.1 | -161.4 | 0 | 0 | 111.1 | Q556 V563 S564 | Q556-E560 HydrophobicContact CG-CG 4.41Å; Q556-E560 WeakPolarHBondContact CG-OE1 3.45Å; Q556-E560 PolarHBondContact NE2-OE1 3.41Å; Q556-E560 WeakPolarHBondContact O-CB 3.3Å; Q556-E560 WeakPolarHBondContact O-CG 3.19Å; Q556-E560 PolarHBondContact O-N 2.89Å; E560-V563 PolarHBondContact O-N 3.42Å; E560-S564 WeakPolarHBondContact O-CB 3.43Å; E560-S564 PolarHBondContact O-N 2.88Å |
| 561 | T | 68.9 | Low | 62.8 | Low | 81 Ų | 81 | 94.1 Ų | 94.1 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 172 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | S557 E558 S564 N565 | S557-T561 WeakPolarHBondContact O-CB 3.16Å; S557-T561 WeakPolarHBondContact O-CG2 3.28Å; S557-T561 PolarHBondContact O-N 2.84Å; S557-T561 PolarHBondContact O-OG1 2.91Å; E558-T561 WeakPolarHBondContact CA-OG1 3.47Å; E558-T561 PolarHBondContact O-OG1 3.41Å; E558-T561 VanDerWaalsContact O-OG1 3.1Å; T561-S564 WeakPolarHBondContact O-CB 3.43Å; T561-S564 PolarHBondContact O-N 3.05Å; T561-N565 WeakPolarHBondContact O-CB 3.38Å; T561-N565 VanDerWaalsContact O-CG 3.26Å; T561-N565 PolarHBondContact O-N 3.26Å; T561-N565 PolarHBondContact O-ND2 3.14Å |
| 562 | M | 64.1 | Low | 62.2 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 51% | 0.507 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 171 | -78 | -166.7 | -142.5 | 0 | 0 | 112.6 | E558 L559 N565 N566 | E558-M562 WeakPolarHBondContact O-CB 3.2Å; E558-M562 WeakPolarHBondContact O-CG 3.21Å; E558-M562 PolarHBondContact O-N 2.79Å; L559-M562 CarbonylContact O-C 3.59Å; L559-M562 PolarHBondContact O-N 2.9Å; M562-N565 PolarHBondContact O-N 2.88Å; M562-N566 WeakPolarHBondContact O-CB 3.19Å; M562-N566 VanDerWaalsContact O-CG 3.25Å; M562-N566 PolarHBondContact O-N 3.42Å; M562-N566 PolarHBondContact O-ND2 3.19Å |
| 563 | V | 64.4 | Low | 61.6 | Low | 84 Ų | 84 | 95.8 Ų | 95.8 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 174.9 | 164 | 0 | 0 | 0 | 0 | 110.7 | L559 E560 K567 | L559-V563 VanDerWaalsContact O-CB 3.26Å; L559-V563 WeakPolarHBondContact O-CB 3.49Å; L559-V563 WeakPolarHBondContact O-CG2 3.24Å; L559-V563 PolarHBondContact O-N 3.5Å; E560-V563 PolarHBondContact O-N 3.42Å; V563-K567 PolarHBondContact O-N 2.93Å |
| 564 | S | 65.3 | Low | 61.1 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 171.3 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | E560 T561 K567 | E560-S564 WeakPolarHBondContact O-CB 3.43Å; E560-S564 PolarHBondContact O-N 2.88Å; T561-S564 WeakPolarHBondContact O-CB 3.43Å; T561-S564 PolarHBondContact O-N 3.05Å; S564-K567 WeakPolarHBondContact O-CB 3.48Å; S564-K567 PolarHBondContact O-N 3.16Å |
| 565 | N | 59.9 | Low | 60.4 | Low | 96 Ų | 96 | 101.8 Ų | 101.8 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 176.8 | -72.3 | -26.8 | 0 | 0 | 0 | 112.8 | T561 M562 K567 Q568 L569 | T561-N565 WeakPolarHBondContact O-CB 3.38Å; T561-N565 VanDerWaalsContact O-CG 3.26Å; T561-N565 PolarHBondContact O-N 3.26Å; T561-N565 PolarHBondContact O-ND2 3.14Å; M562-N565 PolarHBondContact O-N 2.88Å; N565-K567 VanDerWaalsContact C-N 3.29Å; N565-K567 PolarHBondContact O-N 3.4Å; N565-Q568 CarbonylContact O-C 3.55Å; N565-Q568 WeakPolarHBondContact O-CA 3.12Å; N565-Q568 WeakPolarHBondContact O-CB 3.21Å; N565-Q568 PolarHBondContact O-N 2.94Å; N565-L569 PolarHBondContact O-N 2.92Å |
| 566 | N | 54 | Low | 59.5 | Low | 88 Ų | 88 | 104.9 Ų | 104.9 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -29.5 | 175 | -80.2 | -45 | 0 | 0 | 0 | 112 | M562 Q568 L569 H570 | M562-N566 WeakPolarHBondContact O-CB 3.19Å; M562-N566 VanDerWaalsContact O-CG 3.25Å; M562-N566 PolarHBondContact O-N 3.42Å; M562-N566 PolarHBondContact O-ND2 3.19Å; N566-Q568 PolarHBondContact O-N 3.24Å; N566-L569 PolarHBondContact O-N 2.97Å; N566-H570 WeakPolarHBondContact O-CB 3.38Å; N566-H570 PolarHBondContact O-N 2.83Å |
| 567 | K | 57 | Low | 59 | Low | 165 Ų | 165 | 107 Ų | 107 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.6 | -30.9 | 166.1 | -100.4 | 177 | 177 | 172 | 0 | 112.9 | V563 S564 N565 | V563-K567 PolarHBondContact O-N 2.93Å; S564-K567 WeakPolarHBondContact O-CB 3.48Å; S564-K567 PolarHBondContact O-N 3.16Å; N565-K567 VanDerWaalsContact C-N 3.29Å; N565-K567 PolarHBondContact O-N 3.4Å |
| 568 | Q | 55 | Low | 58.1 | Low | 134 Ų | 134 | 113.2 Ų | 113.2 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -84.3 | -30.6 | 171.9 | -58.7 | -169.3 | 13.1 | 0 | 0 | 113.1 | N565 N566 | N565-Q568 CarbonylContact O-C 3.55Å; N565-Q568 WeakPolarHBondContact O-CA 3.12Å; N565-Q568 WeakPolarHBondContact O-CB 3.21Å; N565-Q568 PolarHBondContact O-N 2.94Å; N566-Q568 PolarHBondContact O-N 3.24Å |
| 569 | L | 54.1 | Low | 57 | Low | 82 Ų | 82 | 117 Ų | 117 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.9 | -39.4 | 178.7 | -148.2 | 81.6 | 0 | 0 | 0 | 111.9 | N565 N566 D571 K572 D573 | N565-L569 PolarHBondContact O-N 2.92Å; N566-L569 PolarHBondContact O-N 2.97Å; L569-D571 PolarHBondContact O-N 2.78Å; L569-D571 VanDerWaalsContact O-N 3.11Å; L569-K572 WeakPolarHBondContact O-CA 3.42Å; L569-K572 WeakPolarHBondContact O-CB 3.27Å; L569-K572 PolarHBondContact O-N 2.86Å; L569-D573 PolarHBondContact O-N 3.41Å |
| 570 | H | 52.7 | Low | 55.7 | Low | 130 Ų | 130 | 120.2 Ų | 120.2 | 60% | 0.602 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.8 | -23.7 | -174.5 | -154.3 | -27.2 | 0 | 0 | 0 | 114.1 | N566 | N566-H570 WeakPolarHBondContact O-CB 3.38Å; N566-H570 PolarHBondContact O-N 2.83Å |
| 571 | D | 55.6 | Low | 54.7 | Low | 96 Ų | 96 | 120.6 Ų | 120.6 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -88.5 | -15.9 | 172.2 | -82.8 | -22.2 | 0 | 0 | 0 | 113.8 | L569 K574 | L569-D571 PolarHBondContact O-N 2.78Å; L569-D571 VanDerWaalsContact O-N 3.11Å; D571-K574 IonicContact OD1-NZ 3.97Å; D571-K574 PolarHBondContact OD1-NZ 3.05Å |
| 572 | K | 57.4 | Low | 53.4 | Low | 142 Ų | 142 | 123.9 Ų | 123.9 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78 | -42 | 166.1 | -75.4 | 178.7 | 176.7 | 171.3 | 0 | 111.6 | L569 K574 Q575 L576 | L569-K572 WeakPolarHBondContact O-CA 3.42Å; L569-K572 WeakPolarHBondContact O-CB 3.27Å; L569-K572 PolarHBondContact O-N 2.86Å; K572-K574 VanDerWaalsContact C-N 3.28Å; K572-K574 PolarHBondContact O-N 2.99Å; K572-Q575 WeakPolarHBondContact O-CA 3.32Å; K572-Q575 WeakPolarHBondContact O-CB 3.49Å; K572-Q575 PolarHBondContact O-N 3.44Å; K572-L576 PolarHBondContact O-N 2.77Å; K572-L576 VanDerWaalsContact O-N 3.15Å |
| 573 | D | 48.2 | Very low | 52.4 | Low | 65 Ų | 65 | 126.8 Ų | 126.8 | 35% | 0.348 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.7 | -33.4 | -179.4 | -68.3 | -35 | 0 | 0 | 0 | 112.7 | L569 Q575 L576 I577 | L569-D573 PolarHBondContact O-N 3.41Å; D573-Q575 PolarHBondContact O-N 2.94Å; D573-Q575 VanDerWaalsContact O-N 3.14Å; D573-L576 PolarHBondContact O-N 3.26Å; D573-L576 VanDerWaalsContact O-N 3.09Å; D573-I577 WeakPolarHBondContact O-CD1 3.47Å; D573-I577 VanDerWaalsContact O-CG1 3.26Å; D573-I577 WeakPolarHBondContact O-CG1 3.49Å; D573-I577 PolarHBondContact O-N 2.82Å |
| 574 | K | 58.6 | Low | 51.4 | Low | 140 Ų | 140 | 129.1 Ų | 129.1 | 61% | 0.609 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.7 | -24 | 168.9 | -87.5 | 177.1 | -169.4 | 151.5 | 0 | 114.3 | D571 K572 | D571-K574 IonicContact OD1-NZ 3.97Å; D571-K574 PolarHBondContact OD1-NZ 3.05Å; K572-K574 VanDerWaalsContact C-N 3.28Å; K572-K574 PolarHBondContact O-N 2.99Å |
| 575 | Q | 55.9 | Low | 50.5 | Low | 151 Ų | 151 | 131.9 Ų | 131.9 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -90 | -35.6 | 174.8 | -54.9 | -171.1 | 23.6 | 0 | 0 | 111.5 | K572 D573 | K572-Q575 WeakPolarHBondContact O-CA 3.32Å; K572-Q575 WeakPolarHBondContact O-CB 3.49Å; K572-Q575 PolarHBondContact O-N 3.44Å; D573-Q575 PolarHBondContact O-N 2.94Å; D573-Q575 VanDerWaalsContact O-N 3.14Å |
| 576 | L | 51.4 | Low | 50.2 | Low | 130 Ų | 130 | 135.3 Ų | 135.3 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.8 | -38.5 | -175.6 | -157.8 | 70.7 | 0 | 0 | 0 | 113.5 | K572 D573 K578 H579 | K572-L576 PolarHBondContact O-N 2.77Å; K572-L576 VanDerWaalsContact O-N 3.15Å; D573-L576 PolarHBondContact O-N 3.26Å; D573-L576 VanDerWaalsContact O-N 3.09Å; L576-K578 PolarHBondContact O-N 2.84Å; L576-H579 PolarHBondContact O-N 3.36Å |
| 577 | I | 52.3 | Low | 50.2 | Low | 143 Ų | 143 | 138.6 Ų | 138.6 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -20.8 | -179.2 | -74.3 | 165.5 | 0 | 0 | 0 | 113.3 | D573 | D573-I577 WeakPolarHBondContact O-CD1 3.47Å; D573-I577 VanDerWaalsContact O-CG1 3.26Å; D573-I577 WeakPolarHBondContact O-CG1 3.49Å; D573-I577 PolarHBondContact O-N 2.82Å |
| 578 | K | 51.6 | Low | 49.8 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 83% | 0.826 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -12 | -173 | -153.6 | 171.1 | -174.5 | 176.2 | 0 | 115 | L576 | L576-K578 PolarHBondContact O-N 2.84Š|
| 579 | H | 45.1 | Very low | 50.1 | Low | 152 Ų | 152 | 135.7 Ų | 135.7 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -105.3 | -46 | -154.9 | -115.3 | -60.4 | 0 | 0 | 0 | 118.7 | L576 | L576-H579 PolarHBondContact O-N 3.36Š|
| 580 | L | 39.5 | Very low | 50.6 | Low | 167 Ų | 167 | 138.2 Ų | 138.2 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | trans | -139.4 | 90.9 | -168.2 | -72.5 | 174.2 | 0 | 0 | 0 | 113.6 | ||||
| 581 | T | 37.4 | Very low | 51 | Low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | trans | -99.5 | 149 | 152.8 | -25.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 582 | N | 42.4 | Very low | 51.8 | Low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | 73.4 | 92.1 | 180 | -45 | -39.9 | 0 | 0 | 0 | 116.1 | ||||
| 583 | E | 43.6 | Very low | 52.5 | Low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | -162.5 | 136.6 | 116.5 | -114.6 | -163 | 139.9 | 0 | 0 | 115.3 | |||||
| 584 | Q | 42.4 | Very low | 53.6 | Low | 134 Ų | 134 | 138.7 Ų | 138.7 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | trans | 69.2 | 120.2 | 157.9 | -50.5 | -164.3 | 16.2 | 0 | 0 | 120.8 | ||||
| 585 | N | 46.5 | Very low | 54.3 | Low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85 | -11.7 | -166 | -70.3 | -19.5 | 0 | 0 | 0 | 116.1 | Y588 S589 | N585-Y588 VanDerWaalsContact O-CB 3.27Å; N585-Y588 WeakPolarHBondContact O-CB 3.18Å; N585-Y588 PolarHBondContact O-N 3.43Å; N585-S589 PolarHBondContact O-N 3.29Å |
| 586 | E | 53.8 | Low | 55.3 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.3 | -37.6 | 178.5 | -72.9 | -173.3 | 129.8 | 0 | 0 | 111.9 | Y588 S589 Q590 | E586-Y588 PolarHBondContact O-N 3.43Å; E586-S589 PolarHBondContact O-N 3.47Å; E586-Q590 PolarHBondContact O-N 3.44Å |
| 587 | K | 53.8 | Low | 56.4 | Low | 156 Ų | 156 | 134 Ų | 134 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.5 | -34.2 | 167.5 | -107.8 | -168.7 | 174.8 | -168.9 | 0 | 111.7 | S589 Q590 L591 | K587-S589 VanDerWaalsContact C-N 3.31Å; K587-S589 PolarHBondContact O-N 3.43Å; K587-Q590 PolarHBondContact O-N 2.61Å; K587-L591 VanDerWaalsContact O-CB 3.3Å; K587-L591 WeakPolarHBondContact O-CB 3.31Å; K587-L591 PolarHBondContact O-N 2.96Å |
| 588 | Y | 49 | Very low | 57.4 | Low | 164 Ų | 164 | 132.2 Ų | 132.2 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.7 | -33.9 | 172.2 | -98.3 | -85 | 0 | 0 | 0 | 112.8 | N585 E586 F592 | N585-Y588 VanDerWaalsContact O-CB 3.27Å; N585-Y588 WeakPolarHBondContact O-CB 3.18Å; N585-Y588 PolarHBondContact O-N 3.43Å; E586-Y588 PolarHBondContact O-N 3.43Å; Y588-F592 WeakPolarHBondContact O-CA 3.08Å; Y588-F592 WeakPolarHBondContact O-CB 3.11Å; Y588-F592 PolarHBondContact O-N 2.95Å |
| 589 | S | 61.5 | Low | 58.6 | Low | 75 Ų | 75 | 126.7 Ų | 126.7 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.7 | -35.7 | 176.4 | -67.7 | 0 | 0 | 0 | 0 | 113 | N585 E586 K587 N593 | N585-S589 PolarHBondContact O-N 3.29Å; E586-S589 PolarHBondContact O-N 3.47Å; K587-S589 VanDerWaalsContact C-N 3.31Å; K587-S589 PolarHBondContact O-N 3.43Å; S589-N593 PolarHBondContact O-N 3.46Å; S589-N593 VanDerWaalsContact O-N 3.15Å |
| 590 | Q | 64.4 | Low | 60.1 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.3 | -50.1 | 173 | -74.9 | -178.6 | -45 | 0 | 0 | 111.1 | E586 K587 F592 N593 E594 | E586-Q590 PolarHBondContact O-N 3.44Å; K587-Q590 PolarHBondContact O-N 2.61Å; Q590-F592 PolarHBondContact O-N 3.47Å; Q590-N593 PolarHBondContact O-N 3.37Å; Q590-E594 PolarHBondContact O-N 2.97Å |
| 591 | L | 61.2 | Low | 61.8 | Low | 98 Ų | 98 | 122.9 Ų | 122.9 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.4 | -28.8 | 174.5 | -81 | 164.4 | 0 | 0 | 0 | 113 | K587 Y595 | K587-L591 VanDerWaalsContact O-CB 3.3Å; K587-L591 WeakPolarHBondContact O-CB 3.31Å; K587-L591 PolarHBondContact O-N 2.96Å; L591-Y595 WeakPolarHBondContact O-CA 3.26Å; L591-Y595 WeakPolarHBondContact O-CB 3.17Å; L591-Y595 PolarHBondContact O-N 2.82Å |
| 592 | F | 71.1 | Confident | 63.3 | Low | 120 Ų | 120 | 122 Ų | 122 | 53% | 0.526 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.9 | -33.4 | 174.1 | -174.4 | -110.5 | 0 | 0 | 0 | 111.7 | Y588 Q590 N596 | Y588-F592 WeakPolarHBondContact O-CA 3.08Å; Y588-F592 WeakPolarHBondContact O-CB 3.11Å; Y588-F592 PolarHBondContact O-N 2.95Å; Q590-F592 PolarHBondContact O-N 3.47Å; F592-N596 VanDerWaalsContact CD1-ND2 3.26Å; F592-N596 WeakPolarHBondContact CD1-ND2 3.5Å; F592-N596 WeakPolarHBondContact CE1-ND2 3.4Å; F592-N596 WeakPolarHBondContact CZ-ND2 3.46Å; F592-N596 WeakPolarHBondContact O-CB 3.04Å; F592-N596 PolarHBondContact O-N 3.1Å; F592-N596 PolarHBondContact O-ND2 3.25Å |
| 593 | N | 73.3 | Confident | 64.8 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.1 | -40 | 172.1 | -75 | -13.3 | 0 | 0 | 0 | 112 | S589 Q590 N596 N597 | S589-N593 PolarHBondContact O-N 3.46Å; S589-N593 VanDerWaalsContact O-N 3.15Å; Q590-N593 PolarHBondContact O-N 3.37Å; N593-N596 PolarHBondContact O-N 2.99Å; N593-N597 WeakPolarHBondContact O-CB 3.46Å; N593-N597 PolarHBondContact O-N 3.37Å |
| 594 | E | 71.6 | Confident | 66.2 | Low | 121 Ų | 121 | 115 Ų | 115 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.3 | -44.5 | 171.7 | -71.7 | 170.1 | 166.3 | 0 | 0 | 110.9 | Q590 N596 N597 L598 | Q590-E594 PolarHBondContact O-N 2.97Å; E594-N596 PolarHBondContact O-N 2.9Å; E594-N597 PolarHBondContact O-N 3.38Å; E594-L598 WeakPolarHBondContact O-CB 3.48Å; E594-L598 PolarHBondContact O-N 3.42Å |
| 595 | Y | 72.9 | Confident | 67.6 | Low | 142 Ų | 142 | 112.7 Ų | 112.7 | 56% | 0.557 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -40 | 173.1 | -178.8 | -88.6 | 0 | 0 | 0 | 111.9 | L591 N599 | L591-Y595 WeakPolarHBondContact O-CA 3.26Å; L591-Y595 WeakPolarHBondContact O-CB 3.17Å; L591-Y595 PolarHBondContact O-N 2.82Å; Y595-N599 HydrophobicContact CD1-CB 4.41Å; Y595-N599 HydrophobicContact CE1-CB 4.25Å; Y595-N599 WeakPolarHBondContact O-CA 3.38Å; Y595-N599 WeakPolarHBondContact O-CB 3.2Å; Y595-N599 PolarHBondContact O-N 2.93Å |
| 596 | N | 75.8 | Confident | 69 | Low | 62 Ų | 62 | 111.3 Ų | 111.3 | 33% | 0.332 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 176.5 | -75 | -34.3 | 0 | 0 | 0 | 112.2 | F592 N593 E594 K600 | F592-N596 VanDerWaalsContact CD1-ND2 3.26Å; F592-N596 WeakPolarHBondContact CD1-ND2 3.5Å; F592-N596 WeakPolarHBondContact CE1-ND2 3.4Å; F592-N596 WeakPolarHBondContact CZ-ND2 3.46Å; F592-N596 WeakPolarHBondContact O-CB 3.04Å; F592-N596 PolarHBondContact O-N 3.1Å; F592-N596 PolarHBondContact O-ND2 3.25Å; N593-N596 PolarHBondContact O-N 2.99Å; E594-N596 PolarHBondContact O-N 2.9Å; N596-K600 VanDerWaalsContact O-CB 3.29Å; N596-K600 WeakPolarHBondContact O-CB 3.37Å; N596-K600 PolarHBondContact O-N 3.39Å |
| 597 | N | 76 | Confident | 69.9 | Low | 120 Ų | 120 | 109.3 Ų | 109.3 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -47.6 | 172.2 | -88.7 | -5.4 | 0 | 0 | 0 | 111.2 | N593 E594 K600 Q601 | N593-N597 WeakPolarHBondContact O-CB 3.46Å; N593-N597 PolarHBondContact O-N 3.37Å; E594-N597 PolarHBondContact O-N 3.38Å; N597-K600 PolarHBondContact O-N 3.23Å; N597-Q601 WeakPolarHBondContact O-CB 3.41Å; N597-Q601 PolarHBondContact O-N 2.79Å |
| 598 | L | 73.7 | Confident | 70.6 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 179.5 | -169.9 | 71.7 | 0 | 0 | 0 | 111.5 | E594 Q601 L602 | E594-L598 WeakPolarHBondContact O-CB 3.48Å; E594-L598 PolarHBondContact O-N 3.42Å; L598-Q601 CarbonylContact O-C 3.59Å; L598-Q601 PolarHBondContact O-N 3.31Å; L598-L602 VanDerWaalsContact O-CB 3.3Å; L598-L602 WeakPolarHBondContact O-CB 3.32Å; L598-L602 PolarHBondContact O-N 3.36Å |
| 599 | N | 75.6 | Confident | 71.5 | Confident | 73 Ų | 73 | 104.9 Ų | 104.9 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.5 | -30.9 | 175.2 | -173.6 | 87.9 | 0 | 0 | 0 | 111.8 | Y595 L603 | Y595-N599 HydrophobicContact CD1-CB 4.41Å; Y595-N599 HydrophobicContact CE1-CB 4.25Å; Y595-N599 WeakPolarHBondContact O-CA 3.38Å; Y595-N599 WeakPolarHBondContact O-CB 3.2Å; Y595-N599 PolarHBondContact O-N 2.93Å; N599-L603 WeakPolarHBondContact O-CB 3.29Å; N599-L603 PolarHBondContact O-N 3.27Å |
| 600 | K | 77.9 | Confident | 72 | Confident | 125 Ų | 125 | 106 Ų | 106 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 167.6 | -167.2 | -162.3 | 171.5 | -155.7 | 0 | 110.4 | N596 N597 L602 L603 D604 | N596-K600 VanDerWaalsContact O-CB 3.29Å; N596-K600 WeakPolarHBondContact O-CB 3.37Å; N596-K600 PolarHBondContact O-N 3.39Å; N597-K600 PolarHBondContact O-N 3.23Å; K600-L602 VanDerWaalsContact C-N 3.27Å; K600-L602 PolarHBondContact O-N 3.48Å; K600-L603 CarbonylContact O-C 3.59Å; K600-L603 WeakPolarHBondContact O-CA 3.46Å; K600-L603 WeakPolarHBondContact O-CB 3.48Å; K600-L603 PolarHBondContact O-N 2.68Å; K600-D604 WeakPolarHBondContact CE-OD2 3.48Å; K600-D604 IonicContact NZ-OD2 3.02Å; K600-D604 WeakPolarHBondContact O-CB 3.45Å; K600-D604 VanDerWaalsContact O-CG 3.24Å; K600-D604 PolarHBondContact O-N 2.74Å |
| 601 | Q | 73.3 | Confident | 72.3 | Confident | 115 Ų | 115 | 103.9 Ų | 103.9 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 177.7 | -160.9 | 170.4 | 15.8 | 0 | 0 | 111.6 | N597 L598 N605 | N597-Q601 WeakPolarHBondContact O-CB 3.41Å; N597-Q601 PolarHBondContact O-N 2.79Å; L598-Q601 CarbonylContact O-C 3.59Å; L598-Q601 PolarHBondContact O-N 3.31Å; Q601-N605 WeakPolarHBondContact O-CB 3.04Å; Q601-N605 PolarHBondContact O-N 3.38Å; Q601-N605 PolarHBondContact O-ND2 2.95Å; Q601-N605 PolarHBondContact O-OD1 2.86Å |
| 602 | L | 69.8 | Low | 72.4 | Confident | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 169 | -108.2 | 159.8 | 0 | 0 | 0 | 112.4 | L598 K600 N606 | L598-L602 VanDerWaalsContact O-CB 3.3Å; L598-L602 WeakPolarHBondContact O-CB 3.32Å; L598-L602 PolarHBondContact O-N 3.36Å; K600-L602 VanDerWaalsContact C-N 3.27Å; K600-L602 PolarHBondContact O-N 3.48Å; L602-N606 WeakPolarHBondContact O-CB 3.37Å; L602-N606 PolarHBondContact O-N 2.86Å |
| 603 | L | 74.7 | Confident | 72.1 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -48.8 | 175.8 | -168 | 70.5 | 0 | 0 | 0 | 111 | N599 K600 N605 N606 E607 | N599-L603 WeakPolarHBondContact O-CB 3.29Å; N599-L603 PolarHBondContact O-N 3.27Å; K600-L603 CarbonylContact O-C 3.59Å; K600-L603 WeakPolarHBondContact O-CA 3.46Å; K600-L603 WeakPolarHBondContact O-CB 3.48Å; K600-L603 PolarHBondContact O-N 2.68Å; L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 3.42Å; L603-N606 CarbonylContact O-C 3.58Å; L603-N606 PolarHBondContact O-N 3.47Å; L603-N606 VanDerWaalsContact O-N 3.1Å; L603-E607 PolarHBondContact O-N 2.87Å |
| 604 | D | 71.6 | Confident | 72.1 | Confident | 70 Ų | 70 | 101.6 Ų | 101.6 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 175.5 | -62.1 | -12.6 | 0 | 0 | 0 | 109.9 | K600 Q608 | K600-D604 WeakPolarHBondContact CE-OD2 3.48Å; K600-D604 IonicContact NZ-OD2 3.02Å; K600-D604 WeakPolarHBondContact O-CB 3.45Å; K600-D604 VanDerWaalsContact O-CG 3.24Å; K600-D604 PolarHBondContact O-N 2.74Å; D604-Q608 PolarHBondContact O-N 2.8Å |
| 605 | N | 72.7 | Confident | 72 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 174 | -72.9 | -2.3 | 0 | 0 | 0 | 113 | Q601 L603 Q608 L609 | Q601-N605 WeakPolarHBondContact O-CB 3.04Å; Q601-N605 PolarHBondContact O-N 3.38Å; Q601-N605 PolarHBondContact O-ND2 2.95Å; Q601-N605 PolarHBondContact O-OD1 2.86Å; L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 3.42Å; N605-Q608 PolarHBondContact O-N 2.87Å; N605-L609 VanDerWaalsContact O-CB 3.24Å; N605-L609 WeakPolarHBondContact O-CB 3.2Å; N605-L609 PolarHBondContact O-N 3.12Å |
| 606 | N | 74.8 | Confident | 71.5 | Confident | 98 Ų | 98 | 98.2 Ų | 98.2 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78.5 | -29.2 | 179.5 | -166.4 | 22.6 | 0 | 0 | 0 | 111.5 | L602 L603 K610 | L602-N606 WeakPolarHBondContact O-CB 3.37Å; L602-N606 PolarHBondContact O-N 2.86Å; L603-N606 CarbonylContact O-C 3.58Å; L603-N606 PolarHBondContact O-N 3.47Å; L603-N606 VanDerWaalsContact O-N 3.1Å; N606-K610 WeakPolarHBondContact O-CB 3.49Å; N606-K610 PolarHBondContact O-N 3.49Å |
| 607 | E | 72.8 | Confident | 71 | Confident | 126 Ų | 126 | 100.5 Ų | 100.5 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -43.6 | 165.3 | -71.8 | -159.8 | 160.2 | 0 | 0 | 111.2 | L603 K610 I611 | L603-E607 PolarHBondContact O-N 2.87Å; E607-K610 PolarHBondContact O-N 3.45Å; E607-I611 WeakPolarHBondContact O-CB 3.44Å; E607-I611 VanDerWaalsContact O-CG1 3.27Å; E607-I611 WeakPolarHBondContact O-CG1 3.4Å; E607-I611 PolarHBondContact O-N 2.81Å |
| 608 | Q | 68.4 | Low | 70.5 | Confident | 131 Ų | 131 | 99.3 Ų | 99.3 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.1 | -47.8 | 171.2 | -79.4 | -166 | -13.4 | 0 | 0 | 112.3 | D604 N605 K610 I611 E612 | D604-Q608 PolarHBondContact O-N 2.8Å; N605-Q608 PolarHBondContact O-N 2.87Å; Q608-K610 PolarHBondContact O-N 2.85Å; Q608-I611 WeakPolarHBondContact O-CB 3.47Å; Q608-I611 PolarHBondContact O-N 3.45Å; Q608-I611 VanDerWaalsContact O-N 3.11Å; Q608-E612 PolarHBondContact O-N 2.83Å |
| 609 | L | 67.9 | Low | 70.1 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -30.3 | -179.7 | -167.1 | 144.1 | 0 | 0 | 0 | 111.5 | N605 Q613 | N605-L609 VanDerWaalsContact O-CB 3.24Å; N605-L609 WeakPolarHBondContact O-CB 3.2Å; N605-L609 PolarHBondContact O-N 3.12Å; L609-Q613 HydrophobicContact CD2-CG 4.21Å; L609-Q613 VanDerWaalsContact O-CB 3.3Å; L609-Q613 WeakPolarHBondContact O-CB 3.43Å; L609-Q613 VanDerWaalsContact O-CG 3.27Å; L609-Q613 WeakPolarHBondContact O-CG 3.43Å; L609-Q613 PolarHBondContact O-N 3.16Å |
| 610 | K | 72.1 | Confident | 69.7 | Low | 97 Ų | 97 | 95.7 Ų | 95.7 | 42% | 0.422 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.8 | -35.3 | 171.8 | -168.4 | 172.3 | -175.3 | -179.4 | 0 | 113.2 | N606 E607 Q608 Q613 N614 | N606-K610 WeakPolarHBondContact O-CB 3.49Å; N606-K610 PolarHBondContact O-N 3.49Å; E607-K610 PolarHBondContact O-N 3.45Å; Q608-K610 PolarHBondContact O-N 2.85Å; K610-Q613 PolarHBondContact O-N 2.83Å; K610-N614 PolarHBondContact O-N 3.49Å; K610-N614 PolarHBondContact O-OD1 3.47Å |
| 611 | I | 71.2 | Confident | 69.2 | Low | 90 Ų | 90 | 92.8 Ų | 92.8 | 46% | 0.462 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 171.9 | -72.3 | 163.2 | 0 | 0 | 0 | 110.1 | E607 Q608 N614 K615 | E607-I611 WeakPolarHBondContact O-CB 3.44Å; E607-I611 VanDerWaalsContact O-CG1 3.27Å; E607-I611 WeakPolarHBondContact O-CG1 3.4Å; E607-I611 PolarHBondContact O-N 2.81Å; Q608-I611 WeakPolarHBondContact O-CB 3.47Å; Q608-I611 PolarHBondContact O-N 3.45Å; Q608-I611 VanDerWaalsContact O-N 3.11Å; I611-N614 PolarHBondContact O-N 3.2Å; I611-K615 WeakPolarHBondContact O-CG 3.26Å; I611-K615 PolarHBondContact O-N 3.44Å |
| 612 | E | 62.8 | Low | 68.7 | Low | 74 Ų | 74 | 93.1 Ų | 93.1 | 35% | 0.346 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.2 | -33.4 | 174.9 | -64.5 | -57.1 | 121.3 | 0 | 0 | 112.3 | Q608 K615 L616 | Q608-E612 PolarHBondContact O-N 2.83Å; E612-K615 PolarHBondContact O-N 3.24Å; E612-K615 WeakPolarHBondContact OE1-CD 3.12Å; E612-K615 WeakPolarHBondContact OE1-CE 3.46Å; E612-K615 IonicContact OE1-NZ 2.68Å; E612-K615 PolarHBondContact OE1-NZ 3.43Å; E612-L616 VanDerWaalsContact O-CB 3.31Å; E612-L616 WeakPolarHBondContact O-CB 3.33Å; E612-L616 WeakPolarHBondContact O-CG 3.47Å; E612-L616 PolarHBondContact O-N 2.87Å |
| 613 | Q | 66.3 | Low | 68.4 | Low | 109 Ų | 109 | 93.8 Ų | 93.8 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 169.6 | -85 | -179 | -11.4 | 0 | 0 | 112.3 | L609 K610 L616 M617 | L609-Q613 HydrophobicContact CD2-CG 4.21Å; L609-Q613 VanDerWaalsContact O-CB 3.3Å; L609-Q613 WeakPolarHBondContact O-CB 3.43Å; L609-Q613 VanDerWaalsContact O-CG 3.27Å; L609-Q613 WeakPolarHBondContact O-CG 3.43Å; L609-Q613 PolarHBondContact O-N 3.16Å; K610-Q613 PolarHBondContact O-N 2.83Å; Q613-L616 PolarHBondContact O-N 2.83Å; Q613-M617 WeakPolarHBondContact O-CG 3.44Å; Q613-M617 PolarHBondContact O-N 3.49Å |
| 614 | N | 71.8 | Confident | 68.1 | Low | 91 Ų | 91 | 93.8 Ų | 93.8 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 174.2 | -75.1 | 5.6 | 0 | 0 | 0 | 110.8 | K610 I611 L616 M617 D618 | K610-N614 PolarHBondContact O-N 3.49Å; K610-N614 PolarHBondContact O-OD1 3.47Å; I611-N614 PolarHBondContact O-N 3.2Å; N614-L616 VanDerWaalsContact C-N 3.26Å; N614-L616 PolarHBondContact O-N 2.95Å; N614-M617 WeakPolarHBondContact O-CA 3.43Å; N614-M617 WeakPolarHBondContact O-CB 3.44Å; N614-M617 PolarHBondContact O-N 3.27Å; N614-D618 VanDerWaalsContact O-CG 3.25Å; N614-D618 PolarHBondContact O-N 2.72Å |
| 615 | K | 70.5 | Confident | 68 | Low | 101 Ų | 101 | 95.3 Ų | 95.3 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -33.7 | 174 | -68.9 | 173.6 | -172.7 | 172.4 | 0 | 113.3 | I611 E612 K619 | I611-K615 WeakPolarHBondContact O-CG 3.26Å; I611-K615 PolarHBondContact O-N 3.44Å; E612-K615 PolarHBondContact O-N 3.24Å; E612-K615 WeakPolarHBondContact OE1-CD 3.12Å; E612-K615 WeakPolarHBondContact OE1-CE 3.46Å; E612-K615 IonicContact OE1-NZ 2.68Å; E612-K615 PolarHBondContact OE1-NZ 3.43Å; K615-K619 WeakPolarHBondContact O-CB 3.47Å; K615-K619 WeakPolarHBondContact O-CG 3.47Å; K615-K619 PolarHBondContact O-N 3.25Å |
| 616 | L | 61.8 | Low | 67.7 | Low | 92 Ų | 92 | 94.8 Ų | 94.8 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.8 | -35.3 | 174.2 | -82.5 | 165.7 | 0 | 0 | 0 | 111.8 | E612 Q613 N614 S620 | E612-L616 VanDerWaalsContact O-CB 3.31Å; E612-L616 WeakPolarHBondContact O-CB 3.33Å; E612-L616 WeakPolarHBondContact O-CG 3.47Å; E612-L616 PolarHBondContact O-N 2.87Å; Q613-L616 PolarHBondContact O-N 2.83Å; N614-L616 VanDerWaalsContact C-N 3.26Å; N614-L616 PolarHBondContact O-N 2.95Å; L616-S620 WeakPolarHBondContact O-CB 3.46Å; L616-S620 PolarHBondContact O-N 3.31Å |
| 617 | M | 65.1 | Low | 67.4 | Low | 110 Ų | 110 | 95.5 Ų | 95.5 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 169.6 | -77 | -61 | -49.7 | 0 | 0 | 111.2 | Q613 N614 S620 N621 | Q613-M617 WeakPolarHBondContact O-CG 3.44Å; Q613-M617 PolarHBondContact O-N 3.49Å; N614-M617 WeakPolarHBondContact O-CA 3.43Å; N614-M617 WeakPolarHBondContact O-CB 3.44Å; N614-M617 PolarHBondContact O-N 3.27Å; M617-S620 WeakPolarHBondContact O-CB 3.44Å; M617-S620 PolarHBondContact O-N 2.63Å; M617-S620 VanDerWaalsContact O-N 3.16Å; M617-N621 PolarHBondContact O-N 3.1Å; M617-N621 PolarHBondContact O-ND2 3.44Å |
| 618 | D | 66.4 | Low | 67.4 | Low | 94 Ų | 94 | 93.3 Ų | 93.3 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 177.5 | -61.6 | -31.7 | 0 | 0 | 0 | 110.8 | N614 S620 N621 E622 | N614-D618 VanDerWaalsContact O-CG 3.25Å; N614-D618 PolarHBondContact O-N 2.72Å; D618-S620 VanDerWaalsContact C-N 3.32Å; D618-S620 PolarHBondContact O-N 3.13Å; D618-N621 WeakPolarHBondContact O-CB 3.45Å; D618-N621 PolarHBondContact O-N 3.39Å; D618-N621 VanDerWaalsContact O-N 3.14Å; D618-E622 PolarHBondContact O-N 2.94Å |
| 619 | K | 64 | Low | 67.2 | Low | 50 Ų | 50 | 92.7 Ų | 92.7 | 22% | 0.217 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.6 | -29.8 | 174.3 | -75 | -174.7 | 169.7 | -168.4 | 0 | 113.7 | L545 K615 N621 L623 | L545-K619 HydrophobicContact CD1-CD 4.2Å; L545-K619 HydrophobicContact CD2-CD 4.19Å; K615-K619 WeakPolarHBondContact O-CB 3.47Å; K615-K619 WeakPolarHBondContact O-CG 3.47Å; K615-K619 PolarHBondContact O-N 3.25Å; K619-N621 VanDerWaalsContact C-N 3.35Å; K619-L623 WeakPolarHBondContact O-CB 3.26Å; K619-L623 PolarHBondContact O-N 2.68Å |
| 620 | S | 67.2 | Low | 67.1 | Low | 52 Ų | 52 | 91.9 Ų | 91.9 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 172.6 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | L616 M617 D618 L623 I624 | L616-S620 WeakPolarHBondContact O-CB 3.46Å; L616-S620 PolarHBondContact O-N 3.31Å; M617-S620 WeakPolarHBondContact O-CB 3.44Å; M617-S620 PolarHBondContact O-N 2.63Å; M617-S620 VanDerWaalsContact O-N 3.16Å; D618-S620 VanDerWaalsContact C-N 3.32Å; D618-S620 PolarHBondContact O-N 3.13Å; S620-L623 PolarHBondContact O-N 3.03Å; S620-I624 WeakPolarHBondContact O-CB 3.28Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 WeakPolarHBondContact O-CG1 3.24Å; S620-I624 PolarHBondContact O-N 3.01Å |
| 621 | N | 67.4 | Low | 67.2 | Low | 64 Ų | 64 | 92 Ų | 92 | 34% | 0.342 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 174.9 | -63.4 | -26.1 | 0 | 0 | 0 | 110.9 | M617 D618 K619 I624 I625 | M617-N621 PolarHBondContact O-N 3.1Å; M617-N621 PolarHBondContact O-ND2 3.44Å; D618-N621 WeakPolarHBondContact O-CB 3.45Å; D618-N621 PolarHBondContact O-N 3.39Å; D618-N621 VanDerWaalsContact O-N 3.14Å; K619-N621 VanDerWaalsContact C-N 3.35Å; N621-I624 PolarHBondContact O-N 2.78Å; N621-I625 WeakPolarHBondContact O-CG1 3.24Å; N621-I625 PolarHBondContact O-N 2.84Å |
| 622 | E | 64.5 | Low | 67.3 | Low | 122 Ų | 122 | 93.3 Ų | 93.3 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.6 | -45.8 | 170.9 | -69.3 | 176.8 | 161 | 0 | 0 | 111.9 | D618 I624 I625 V626 | D618-E622 PolarHBondContact O-N 2.94Å; E622-I624 VanDerWaalsContact C-N 3.34Å; E622-I624 PolarHBondContact O-N 3.48Å; E622-I625 PolarHBondContact O-N 3.49Å; E622-V626 WeakPolarHBondContact O-CG2 3.49Å; E622-V626 PolarHBondContact O-N 2.86Å |
| 623 | L | 63.2 | Low | 67.1 | Low | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.2 | -34.8 | 176 | -91.3 | 165.7 | 0 | 0 | 0 | 113.3 | K619 S620 N627 | K619-L623 WeakPolarHBondContact O-CB 3.26Å; K619-L623 PolarHBondContact O-N 2.68Å; S620-L623 PolarHBondContact O-N 3.03Å; L623-N627 WeakPolarHBondContact O-CB 3.47Å; L623-N627 PolarHBondContact O-N 3.45Å |
| 624 | I | 68.4 | Low | 67.2 | Low | 96 Ų | 96 | 96.2 Ų | 96.2 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 174.2 | -73 | 162.4 | 0 | 0 | 0 | 110.5 | S620 N621 E622 N627 E628 | S620-I624 WeakPolarHBondContact O-CB 3.28Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 WeakPolarHBondContact O-CG1 3.24Å; S620-I624 PolarHBondContact O-N 3.01Å; N621-I624 PolarHBondContact O-N 2.78Å; E622-I624 VanDerWaalsContact C-N 3.34Å; E622-I624 PolarHBondContact O-N 3.48Å; I624-N627 PolarHBondContact O-N 2.74Å; I624-E628 WeakPolarHBondContact O-CB 3.4Å; I624-E628 PolarHBondContact O-N 2.83Å |
| 625 | I | 69.5 | Low | 67.2 | Low | 101 Ų | 101 | 96.6 Ų | 96.6 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -53.8 | 175.4 | -67.3 | 163.4 | 0 | 0 | 0 | 110.3 | N621 E622 N627 E628 E629 | N621-I625 WeakPolarHBondContact O-CG1 3.24Å; N621-I625 PolarHBondContact O-N 2.84Å; E622-I625 PolarHBondContact O-N 3.49Å; I625-N627 VanDerWaalsContact C-N 3.3Å; I625-N627 PolarHBondContact O-N 2.96Å; I625-E628 PolarHBondContact O-N 3.38Å; I625-E628 VanDerWaalsContact O-N 3.13Å; I625-E629 PolarHBondContact O-N 3.34Å |
| 626 | V | 66.5 | Low | 67.3 | Low | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -38.8 | -179.3 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | E622 E629 L630 | E622-V626 WeakPolarHBondContact O-CG2 3.49Å; E622-V626 PolarHBondContact O-N 2.86Å; V626-E629 PolarHBondContact O-N 3.07Å; V626-L630 WeakPolarHBondContact O-CB 3.02Å; V626-L630 PolarHBondContact O-N 3.35Å |
| 627 | N | 67.6 | Low | 67.3 | Low | 113 Ų | 113 | 99.8 Ų | 99.8 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.6 | -33.6 | 178.4 | -167.3 | 32.5 | 0 | 0 | 0 | 112.5 | L623 I624 I625 L630 K631 | L623-N627 WeakPolarHBondContact O-CB 3.47Å; L623-N627 PolarHBondContact O-N 3.45Å; I624-N627 PolarHBondContact O-N 2.74Å; I625-N627 VanDerWaalsContact C-N 3.3Å; I625-N627 PolarHBondContact O-N 2.96Å; N627-L630 PolarHBondContact O-N 3.38Å; N627-K631 VanDerWaalsContact O-CB 3.29Å; N627-K631 WeakPolarHBondContact O-CB 3.21Å; N627-K631 PolarHBondContact O-N 3.14Å |
| 628 | E | 72.4 | Confident | 67.7 | Low | 79 Ų | 79 | 98.1 Ų | 98.1 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.6 | -34.7 | 173.9 | -170.3 | 58.5 | -146.7 | 0 | 0 | 112 | I624 I625 K631 Q632 | I624-E628 WeakPolarHBondContact O-CB 3.4Å; I624-E628 PolarHBondContact O-N 2.83Å; I625-E628 PolarHBondContact O-N 3.38Å; I625-E628 VanDerWaalsContact O-N 3.13Å; E628-K631 PolarHBondContact O-N 3.06Å; E628-K631 IonicContact OE1-NZ 2.7Å; E628-K631 PolarHBondContact OE1-NZ 3.36Å; E628-K631 IonicContact OE2-NZ 2.88Å; E628-K631 PolarHBondContact OE2-NZ 3.26Å; E628-Q632 WeakPolarHBondContact O-CG 3.25Å; E628-Q632 PolarHBondContact O-N 3.46Å |
| 629 | E | 64.6 | Low | 68.1 | Low | 118 Ų | 118 | 99.1 Ų | 99.1 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 168.7 | -71 | -178.9 | 165.6 | 0 | 0 | 111.6 | I625 V626 K631 Q632 L633 | I625-E629 PolarHBondContact O-N 3.34Å; V626-E629 PolarHBondContact O-N 3.07Å; E629-K631 PolarHBondContact O-N 3.48Å; E629-Q632 PolarHBondContact O-N 2.87Å; E629-L633 PolarHBondContact O-N 3.09Å |
| 630 | L | 65.1 | Low | 68.3 | Low | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -32.7 | 175.8 | -126.1 | 167.6 | 0 | 0 | 0 | 112.2 | V626 N627 K634 | V626-L630 WeakPolarHBondContact O-CB 3.02Å; V626-L630 PolarHBondContact O-N 3.35Å; N627-L630 PolarHBondContact O-N 3.38Å; L630-K634 WeakPolarHBondContact O-CG 3.44Å; L630-K634 PolarHBondContact O-N 3.21Å |
| 631 | K | 75.4 | Confident | 68.3 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 43% | 0.426 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.6 | -42.6 | 173.8 | 170.5 | 163 | 156.3 | -88.5 | 0 | 112 | N627 E628 E629 L633 K634 E635 | N627-K631 VanDerWaalsContact O-CB 3.29Å; N627-K631 WeakPolarHBondContact O-CB 3.21Å; N627-K631 PolarHBondContact O-N 3.14Å; E628-K631 PolarHBondContact O-N 3.06Å; E628-K631 IonicContact OE1-NZ 2.7Å; E628-K631 PolarHBondContact OE1-NZ 3.36Å; E628-K631 IonicContact OE2-NZ 2.88Å; E628-K631 PolarHBondContact OE2-NZ 3.26Å; E629-K631 PolarHBondContact O-N 3.48Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 2.88Å; K631-K634 PolarHBondContact O-N 3.07Å; K631-E635 PolarHBondContact O-N 3.42Å |
| 632 | Q | 72.6 | Confident | 68.7 | Low | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 171.6 | -73.2 | 175.8 | 55.4 | 0 | 0 | 111.7 | E628 E629 K634 E635 F636 | E628-Q632 WeakPolarHBondContact O-CG 3.25Å; E628-Q632 PolarHBondContact O-N 3.46Å; E629-Q632 PolarHBondContact O-N 2.87Å; Q632-K634 PolarHBondContact O-N 3Å; Q632-E635 PolarHBondContact O-N 3.03Å; Q632-F636 WeakPolarHBondContact O-CB 3.42Å; Q632-F636 PolarHBondContact O-N 3.48Å |
| 633 | L | 58.9 | Low | 68.9 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -39.8 | 175.9 | -158.2 | 78 | 0 | 0 | 0 | 111.9 | E629 K631 F636 M637 | E629-L633 PolarHBondContact O-N 3.09Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 2.88Å; L633-F636 PolarHBondContact O-N 2.77Å; L633-M637 WeakPolarHBondContact O-CB 3.37Å; L633-M637 WeakPolarHBondContact O-CG 3.44Å; L633-M637 PolarHBondContact O-N 2.75Å |
| 634 | K | 68.9 | Low | 68.9 | Low | 134 Ų | 134 | 108 Ų | 108 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.4 | -37.8 | 173.8 | -77.7 | 173.1 | 178.8 | 173.2 | 0 | 113 | L630 K631 Q632 S638 | L630-K634 WeakPolarHBondContact O-CG 3.44Å; L630-K634 PolarHBondContact O-N 3.21Å; K631-K634 PolarHBondContact O-N 3.07Å; Q632-K634 PolarHBondContact O-N 3Å; K634-S638 WeakPolarHBondContact O-CB 3.19Å; K634-S638 PolarHBondContact O-N 3.03Å; K634-S638 PolarHBondContact O-OG 2.87Å |
| 635 | E | 70.8 | Confident | 68.7 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 170.7 | -87.9 | -159 | -158.2 | 0 | 0 | 112.1 | K631 Q632 S638 K639 | K631-E635 PolarHBondContact O-N 3.42Å; Q632-E635 PolarHBondContact O-N 3.03Å; E635-S638 PolarHBondContact O-N 2.69Å; E635-K639 WeakPolarHBondContact O-CB 3.33Å; E635-K639 WeakPolarHBondContact O-CD 3.42Å; E635-K639 VanDerWaalsContact O-CG 3.29Å; E635-K639 WeakPolarHBondContact O-CG 3.32Å; E635-K639 PolarHBondContact O-N 3.5Å; E635-K639 IonicContact OE2-NZ 3.86Å; E635-K639 PolarHBondContact OE2-NZ 3.06Å |
| 636 | F | 72.8 | Confident | 69 | Low | 129 Ų | 129 | 106.8 Ų | 106.8 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -46.8 | 177.3 | -177.2 | -99.6 | 0 | 0 | 0 | 111.7 | Q632 L633 S638 K639 M640 | Q632-F636 WeakPolarHBondContact O-CB 3.42Å; Q632-F636 PolarHBondContact O-N 3.48Å; L633-F636 PolarHBondContact O-N 2.77Å; F636-S638 VanDerWaalsContact C-N 3.31Å; F636-S638 PolarHBondContact O-N 3.1Å; F636-K639 PolarHBondContact O-N 2.83Å; F636-M640 HydrophobicContact CD1-CG 4.23Å; F636-M640 HydrophobicContact CE1-CG 3.79Å; F636-M640 HydrophobicContact CE2-CG 4.5Å; F636-M640 HydrophobicContact CZ-CG 3.94Å; F636-M640 HydrophobicContact CZ-SD 4.27Å; F636-M640 WeakPolarHBondContact O-CB 3.39Å; F636-M640 WeakPolarHBondContact O-CG 3.22Å; F636-M640 PolarHBondContact O-N 2.9Å |
| 637 | M | 62.8 | Low | 69 | Low | 131 Ų | 131 | 108.1 Ų | 108.1 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.6 | -45.5 | 171.4 | -72.7 | -92.8 | -73.2 | 0 | 0 | 111.8 | L633 K639 M640 Q641 | L633-M637 WeakPolarHBondContact O-CB 3.37Å; L633-M637 WeakPolarHBondContact O-CG 3.44Å; L633-M637 PolarHBondContact O-N 2.75Å; M637-K639 PolarHBondContact O-N 3Å; M637-M640 PolarHBondContact O-N 2.85Å; M637-Q641 WeakPolarHBondContact O-CB 3.37Å; M637-Q641 PolarHBondContact O-N 3.49Å |
| 638 | S | 72.1 | Confident | 69 | Low | 75 Ų | 75 | 107.8 Ų | 107.8 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 179.3 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | K634 E635 F636 N642 | K634-S638 WeakPolarHBondContact O-CB 3.19Å; K634-S638 PolarHBondContact O-N 3.03Å; K634-S638 PolarHBondContact O-OG 2.87Å; E635-S638 PolarHBondContact O-N 2.69Å; F636-S638 VanDerWaalsContact C-N 3.31Å; F636-S638 PolarHBondContact O-N 3.1Å; S638-N642 VanDerWaalsContact O-CB 3.32Å; S638-N642 WeakPolarHBondContact O-CB 3.49Å; S638-N642 PolarHBondContact O-N 2.97Å |
| 639 | K | 74.8 | Confident | 69 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 175.1 | -72.4 | 162 | -170.2 | 160 | 0 | 111.3 | E635 F636 M637 Q641 N642 N643 | E635-K639 WeakPolarHBondContact O-CB 3.33Å; E635-K639 WeakPolarHBondContact O-CD 3.42Å; E635-K639 VanDerWaalsContact O-CG 3.29Å; E635-K639 WeakPolarHBondContact O-CG 3.32Å; E635-K639 PolarHBondContact O-N 3.5Å; E635-K639 IonicContact OE2-NZ 3.86Å; E635-K639 PolarHBondContact OE2-NZ 3.06Å; F636-K639 PolarHBondContact O-N 2.83Å; M637-K639 PolarHBondContact O-N 3Å; K639-Q641 PolarHBondContact O-N 3.45Å; K639-N642 PolarHBondContact O-N 2.77Å; K639-N643 WeakPolarHBondContact O-CB 3.41Å; K639-N643 PolarHBondContact O-N 3.46Å; K639-N643 PolarHBondContact O-OD1 3.17Å |
| 640 | M | 69.1 | Low | 69.3 | Low | 89 Ų | 89 | 108.3 Ų | 108.3 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.4 | -48 | 173.9 | -80.6 | -71.7 | -68.8 | 0 | 0 | 112.1 | F636 M637 N642 N643 Y644 | F636-M640 HydrophobicContact CD1-CG 4.23Å; F636-M640 HydrophobicContact CE1-CG 3.79Å; F636-M640 HydrophobicContact CE2-CG 4.5Å; F636-M640 HydrophobicContact CZ-CG 3.94Å; F636-M640 HydrophobicContact CZ-SD 4.27Å; F636-M640 WeakPolarHBondContact O-CB 3.39Å; F636-M640 WeakPolarHBondContact O-CG 3.22Å; F636-M640 PolarHBondContact O-N 2.9Å; M637-M640 PolarHBondContact O-N 2.85Å; M640-N642 PolarHBondContact O-N 3.39Å; M640-N643 PolarHBondContact O-N 3.45Å; M640-Y644 HydrophobicContact CE-CE2 4.48Å; M640-Y644 PolarHBondContact O-N 2.64Å |
| 641 | Q | 67.5 | Low | 69.4 | Low | 151 Ų | 151 | 110.3 Ų | 110.3 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -37.6 | 179.6 | -172.6 | 173.9 | 0.5 | 0 | 0 | 112.2 | M637 K639 Q645 | M637-Q641 WeakPolarHBondContact O-CB 3.37Å; M637-Q641 PolarHBondContact O-N 3.49Å; K639-Q641 PolarHBondContact O-N 3.45Å; Q641-Q645 PolarHBondContact O-N 2.82Å |
| 642 | N | 74.7 | Confident | 69.2 | Low | 103 Ų | 103 | 108.3 Ų | 108.3 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.4 | -38.1 | 177.7 | -154.5 | 37.9 | 0 | 0 | 0 | 111.9 | S638 K639 M640 Q645 I646 | S638-N642 VanDerWaalsContact O-CB 3.32Å; S638-N642 WeakPolarHBondContact O-CB 3.49Å; S638-N642 PolarHBondContact O-N 2.97Å; K639-N642 PolarHBondContact O-N 2.77Å; M640-N642 PolarHBondContact O-N 3.39Å; N642-Q645 PolarHBondContact O-N 2.81Å; N642-I646 VanDerWaalsContact O-CG1 3.3Å; N642-I646 WeakPolarHBondContact O-CG1 3.4Å; N642-I646 PolarHBondContact O-N 2.77Å |
| 643 | N | 70.2 | Confident | 69.2 | Low | 96 Ų | 96 | 109.5 Ų | 109.5 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 172.5 | -76.1 | 15 | 0 | 0 | 0 | 111.5 | K639 M640 Q645 I646 E647 | K639-N643 WeakPolarHBondContact O-CB 3.41Å; K639-N643 PolarHBondContact O-N 3.46Å; K639-N643 PolarHBondContact O-OD1 3.17Å; M640-N643 PolarHBondContact O-N 3.45Å; N643-Q645 VanDerWaalsContact C-N 3.26Å; N643-Q645 PolarHBondContact O-N 3.27Å; N643-I646 WeakPolarHBondContact O-CA 3.49Å; N643-I646 WeakPolarHBondContact O-CB 3.03Å; N643-I646 PolarHBondContact O-N 2.85Å; N643-E647 PolarHBondContact O-N 2.69Å |
| 644 | Y | 62.1 | Low | 69.8 | Low | 154 Ų | 154 | 110.2 Ų | 110.2 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.9 | -39.1 | 174.9 | -106.5 | -81.8 | 0 | 0 | 0 | 112.3 | M640 I646 L648 | M640-Y644 HydrophobicContact CE-CE2 4.48Å; M640-Y644 PolarHBondContact O-N 2.64Å; Y644-I646 VanDerWaalsContact C-N 3.34Å; Y644-L648 VanDerWaalsContact O-CB 3.3Å; Y644-L648 WeakPolarHBondContact O-CB 3.26Å; Y644-L648 PolarHBondContact O-N 3.29Å |
| 645 | Q | 65.2 | Low | 69.8 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.8 | -30.4 | 176.4 | -170.6 | 61 | 74.4 | 0 | 0 | 112.7 | Q641 N642 N643 N649 | Q641-Q645 PolarHBondContact O-N 2.82Å; N642-Q645 PolarHBondContact O-N 2.81Å; N643-Q645 VanDerWaalsContact C-N 3.26Å; N643-Q645 PolarHBondContact O-N 3.27Å; Q645-N649 PolarHBondContact NE2-OD1 2.64Å; Q645-N649 WeakPolarHBondContact O-CB 3.46Å; Q645-N649 PolarHBondContact O-N 2.82Å; Q645-N649 VanDerWaalsContact O-N 3.12Å; Q645-N649 PolarHBondContact O-ND2 2.92Å; Q645-N649 PolarHBondContact O-OD1 2.66Å |
| 646 | I | 75.5 | Confident | 69.9 | Low | 72 Ų | 72 | 110 Ų | 110 | 37% | 0.369 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.2 | -51.4 | 173.1 | -70.4 | 161.5 | 0 | 0 | 0 | 110.1 | N642 N643 Y644 L648 N649 E650 | N642-I646 VanDerWaalsContact O-CG1 3.3Å; N642-I646 WeakPolarHBondContact O-CG1 3.4Å; N642-I646 PolarHBondContact O-N 2.77Å; N643-I646 WeakPolarHBondContact O-CA 3.49Å; N643-I646 WeakPolarHBondContact O-CB 3.03Å; N643-I646 PolarHBondContact O-N 2.85Å; Y644-I646 VanDerWaalsContact C-N 3.34Å; I646-L648 VanDerWaalsContact C-N 3.29Å; I646-L648 PolarHBondContact O-N 3.05Å; I646-N649 WeakPolarHBondContact O-CB 3.44Å; I646-N649 PolarHBondContact O-N 2.76Å; I646-E650 HydrophobicContact CG2-CG 4.28Å; I646-E650 WeakPolarHBondContact O-CG 3.38Å; I646-E650 PolarHBondContact O-N 2.95Å |
| 647 | E | 65.7 | Low | 70.1 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 178 | -70.3 | 179.1 | 151.2 | 0 | 0 | 112.1 | N643 N649 E650 Q651 | N643-E647 PolarHBondContact O-N 2.69Å; E647-N649 VanDerWaalsContact C-N 3.34Å; E647-N649 PolarHBondContact O-N 2.74Å; E647-E650 PolarHBondContact O-N 3.33Å; E647-Q651 WeakPolarHBondContact O-CB 3.32Å; E647-Q651 WeakPolarHBondContact O-CG 3.43Å; E647-Q651 PolarHBondContact O-N 3.48Å |
| 648 | L | 67 | Low | 70.4 | Confident | 106 Ų | 106 | 105.7 Ų | 105.7 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70 | -31.2 | 178.4 | -147.5 | 160 | 0 | 0 | 0 | 112 | Y644 I646 S652 | Y644-L648 VanDerWaalsContact O-CB 3.3Å; Y644-L648 WeakPolarHBondContact O-CB 3.26Å; Y644-L648 PolarHBondContact O-N 3.29Å; I646-L648 VanDerWaalsContact C-N 3.29Å; I646-L648 PolarHBondContact O-N 3.05Å; L648-S652 WeakPolarHBondContact O-CB 3.04Å; L648-S652 PolarHBondContact O-N 2.83Å; L648-S652 VanDerWaalsContact O-N 3.16Å |
| 649 | N | 72.6 | Confident | 70.4 | Confident | 81 Ų | 81 | 107.7 Ų | 107.7 | 43% | 0.433 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.8 | -44.7 | 171.8 | -69.9 | -5.7 | 0 | 0 | 0 | 111.6 | Q645 I646 E647 Q651 S652 E653 | Q645-N649 PolarHBondContact NE2-OD1 2.64Å; Q645-N649 WeakPolarHBondContact O-CB 3.46Å; Q645-N649 PolarHBondContact O-N 2.82Å; Q645-N649 VanDerWaalsContact O-N 3.12Å; Q645-N649 PolarHBondContact O-ND2 2.92Å; Q645-N649 PolarHBondContact O-OD1 2.66Å; I646-N649 WeakPolarHBondContact O-CB 3.44Å; I646-N649 PolarHBondContact O-N 2.76Å; E647-N649 VanDerWaalsContact C-N 3.34Å; E647-N649 PolarHBondContact O-N 2.74Å; N649-Q651 PolarHBondContact O-N 2.75Å; N649-S652 WeakPolarHBondContact O-CA 3.44Å; N649-S652 VanDerWaalsContact O-CB 3.3Å; N649-S652 WeakPolarHBondContact O-CB 3.03Å; N649-S652 PolarHBondContact O-N 2.79Å; N649-E653 PolarHBondContact O-N 2.93Å |
| 650 | E | 71.6 | Confident | 70.3 | Confident | 126 Ų | 126 | 108.6 Ų | 108.6 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 177.8 | -72.6 | -179.7 | 177.2 | 0 | 0 | 111.3 | I646 E647 S652 E653 E654 | I646-E650 HydrophobicContact CG2-CG 4.28Å; I646-E650 WeakPolarHBondContact O-CG 3.38Å; I646-E650 PolarHBondContact O-N 2.95Å; E647-E650 PolarHBondContact O-N 3.33Å; E650-S652 VanDerWaalsContact C-N 3.3Å; E650-S652 PolarHBondContact O-N 3.35Å; E650-E653 PolarHBondContact O-N 3.44Å; E650-E654 PolarHBondContact O-N 3.05Å |
| 651 | Q | 66.8 | Low | 70.5 | Confident | 123 Ų | 123 | 108 Ų | 108 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -35.8 | 171 | -72.7 | -180 | 8.6 | 0 | 0 | 112.4 | E647 N649 I655 | E647-Q651 WeakPolarHBondContact O-CB 3.32Å; E647-Q651 WeakPolarHBondContact O-CG 3.43Å; E647-Q651 PolarHBondContact O-N 3.48Å; N649-Q651 PolarHBondContact O-N 2.75Å; Q651-I655 WeakPolarHBondContact O-CB 2.99Å; Q651-I655 WeakPolarHBondContact O-CD1 3.49Å; Q651-I655 WeakPolarHBondContact O-CG1 2.95Å; Q651-I655 PolarHBondContact O-N 3.49Å |
| 652 | S | 70.5 | Confident | 70.7 | Confident | 56 Ų | 56 | 106.3 Ų | 106.3 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 176 | -159.5 | 0 | 0 | 0 | 0 | 112.3 | L648 N649 E650 I655 Q656 | L648-S652 WeakPolarHBondContact O-CB 3.04Å; L648-S652 PolarHBondContact O-N 2.83Å; L648-S652 VanDerWaalsContact O-N 3.16Å; N649-S652 WeakPolarHBondContact O-CA 3.44Å; N649-S652 VanDerWaalsContact O-CB 3.3Å; N649-S652 WeakPolarHBondContact O-CB 3.03Å; N649-S652 PolarHBondContact O-N 2.79Å; E650-S652 VanDerWaalsContact C-N 3.3Å; E650-S652 PolarHBondContact O-N 3.35Å; S652-I655 PolarHBondContact O-N 2.89Å; S652-Q656 WeakPolarHBondContact O-CG 3.32Å; S652-Q656 PolarHBondContact O-N 2.93Å |
| 653 | E | 73.8 | Confident | 70.7 | Confident | 144 Ų | 144 | 105.7 Ų | 105.7 | 67% | 0.673 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -39.4 | 175.4 | -70.2 | -169.8 | -174.9 | 0 | 0 | 112.1 | N649 E650 Q656 S657 | N649-E653 PolarHBondContact O-N 2.93Å; E650-E653 PolarHBondContact O-N 3.44Å; E653-Q656 PolarHBondContact O-N 3.05Å; E653-S657 WeakPolarHBondContact O-CB 3.48Å; E653-S657 PolarHBondContact O-N 3.47Å |
| 654 | E | 71.8 | Confident | 70.8 | Confident | 126 Ų | 126 | 104.4 Ų | 104.4 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 173.5 | -172.9 | 169.2 | -143 | 0 | 0 | 111.6 | E650 Q656 S657 L658 | E650-E654 PolarHBondContact O-N 3.05Å; E654-Q656 PolarHBondContact O-N 2.79Å; E654-S657 WeakPolarHBondContact O-CB 2.91Å; E654-S657 PolarHBondContact O-N 2.9Å; E654-L658 HydrophobicContact CG-CD1 4.06Å; E654-L658 HydrophobicContact CG-CG 4.39Å; E654-L658 WeakPolarHBondContact O-CB 3.27Å; E654-L658 VanDerWaalsContact O-CG 3.3Å; E654-L658 WeakPolarHBondContact O-CG 3.36Å; E654-L658 PolarHBondContact O-N 2.92Å |
| 655 | I | 68.2 | Low | 71.2 | Confident | 101 Ų | 101 | 101 Ų | 101 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 174.6 | -72.7 | 166.4 | 0 | 0 | 0 | 111.4 | Q651 S652 L658 Q659 | Q651-I655 WeakPolarHBondContact O-CB 2.99Å; Q651-I655 WeakPolarHBondContact O-CD1 3.49Å; Q651-I655 WeakPolarHBondContact O-CG1 2.95Å; Q651-I655 PolarHBondContact O-N 3.49Å; S652-I655 PolarHBondContact O-N 2.89Å; I655-L658 PolarHBondContact O-N 3.2Å; I655-Q659 WeakPolarHBondContact O-CB 3.12Å; I655-Q659 PolarHBondContact O-N 2.69Å |
| 656 | Q | 73.2 | Confident | 71.8 | Confident | 128 Ų | 128 | 101.6 Ų | 101.6 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 175 | -75 | -170.9 | 36 | 0 | 0 | 112.2 | S652 E653 E654 Q659 Q660 | S652-Q656 WeakPolarHBondContact O-CG 3.32Å; S652-Q656 PolarHBondContact O-N 2.93Å; E653-Q656 PolarHBondContact O-N 3.05Å; E654-Q656 PolarHBondContact O-N 2.79Å; Q656-Q659 PolarHBondContact O-N 3.34Å; Q656-Q660 WeakPolarHBondContact O-CB 3.32Å; Q656-Q660 PolarHBondContact O-N 3.14Å |
| 657 | S | 76.1 | Confident | 71.8 | Confident | 63 Ų | 63 | 102.9 Ų | 102.9 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | E653 E654 Q660 T661 | E653-S657 WeakPolarHBondContact O-CB 3.48Å; E653-S657 PolarHBondContact O-N 3.47Å; E654-S657 WeakPolarHBondContact O-CB 2.91Å; E654-S657 PolarHBondContact O-N 2.9Å; S657-Q660 PolarHBondContact O-N 3.4Å; S657-T661 WeakPolarHBondContact O-CB 3.46Å; S657-T661 PolarHBondContact O-N 2.89Å; S657-T661 PolarHBondContact O-OG1 2.96Å |
| 658 | L | 70.9 | Confident | 72.3 | Confident | 106 Ų | 106 | 103.4 Ų | 103.4 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 175.5 | -70.5 | 170.7 | 0 | 0 | 0 | 111.9 | E654 I655 T661 L662 | E654-L658 HydrophobicContact CG-CD1 4.06Å; E654-L658 HydrophobicContact CG-CG 4.39Å; E654-L658 WeakPolarHBondContact O-CB 3.27Å; E654-L658 VanDerWaalsContact O-CG 3.3Å; E654-L658 WeakPolarHBondContact O-CG 3.36Å; E654-L658 PolarHBondContact O-N 2.92Å; I655-L658 PolarHBondContact O-N 3.2Å; L658-T661 PolarHBondContact O-N 3.48Å; L658-L662 VanDerWaalsContact O-CB 3.29Å; L658-L662 WeakPolarHBondContact O-CB 3.49Å; L658-L662 PolarHBondContact O-N 3.24Å |
| 659 | Q | 70.5 | Confident | 72.5 | Confident | 116 Ų | 116 | 104.8 Ų | 104.8 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.3 | -92.9 | -175.3 | -20.6 | 0 | 0 | 112.7 | I655 Q656 T661 L662 N663 | I655-Q659 WeakPolarHBondContact O-CB 3.12Å; I655-Q659 PolarHBondContact O-N 2.69Å; Q656-Q659 PolarHBondContact O-N 3.34Å; Q659-T661 VanDerWaalsContact C-N 3.34Å; Q659-L662 PolarHBondContact O-N 2.86Å; Q659-N663 WeakPolarHBondContact O-CB 3.49Å; Q659-N663 PolarHBondContact O-N 3.25Å; Q659-N663 PolarHBondContact O-ND2 3.21Å |
| 660 | Q | 74.1 | Confident | 72.2 | Confident | 134 Ų | 134 | 105 Ų | 105 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.7 | -37.1 | 177.6 | -166.6 | 173.3 | 83.1 | 0 | 0 | 111.3 | Q656 S657 T664 | Q656-Q660 WeakPolarHBondContact O-CB 3.32Å; Q656-Q660 PolarHBondContact O-N 3.14Å; S657-Q660 PolarHBondContact O-N 3.4Å; Q660-T664 WeakPolarHBondContact O-CB 3.49Å; Q660-T664 PolarHBondContact O-N 3.43Å; Q660-T664 PolarHBondContact O-OG1 3.45Å |
| 661 | T | 73.1 | Confident | 72.3 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 172.7 | -59 | 0 | 0 | 0 | 0 | 111.9 | S657 L658 Q659 T664 T665 | S657-T661 WeakPolarHBondContact O-CB 3.46Å; S657-T661 PolarHBondContact O-N 2.89Å; S657-T661 PolarHBondContact O-OG1 2.96Å; L658-T661 PolarHBondContact O-N 3.48Å; Q659-T661 VanDerWaalsContact C-N 3.34Å; T661-T664 PolarHBondContact O-N 3.3Å; T661-T665 WeakPolarHBondContact O-CB 2.94Å; T661-T665 PolarHBondContact O-N 2.83Å; T661-T665 PolarHBondContact O-OG1 2.83Å |
| 662 | L | 72.2 | Confident | 72.5 | Confident | 115 Ų | 115 | 101.2 Ų | 101.2 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -48.1 | 176.5 | -179.3 | 64.3 | 0 | 0 | 0 | 111.3 | L658 Q659 T664 T665 K666 | L658-L662 VanDerWaalsContact O-CB 3.29Å; L658-L662 WeakPolarHBondContact O-CB 3.49Å; L658-L662 PolarHBondContact O-N 3.24Å; Q659-L662 PolarHBondContact O-N 2.86Å; L662-T664 PolarHBondContact O-N 3.48Å; L662-T665 PolarHBondContact O-N 2.97Å; L662-K666 WeakPolarHBondContact O-CB 3.34Å; L662-K666 PolarHBondContact O-N 3.34Å |
| 663 | N | 73.1 | Confident | 72.5 | Confident | 90 Ų | 90 | 103 Ų | 103 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.2 | -74.7 | -30 | 0 | 0 | 0 | 111.9 | Q659 T665 K666 N667 | Q659-N663 WeakPolarHBondContact O-CB 3.49Å; Q659-N663 PolarHBondContact O-N 3.25Å; Q659-N663 PolarHBondContact O-ND2 3.21Å; N663-T665 VanDerWaalsContact C-N 3.33Å; N663-T665 PolarHBondContact O-N 3.06Å; N663-K666 PolarHBondContact O-N 3.18Å; N663-N667 WeakPolarHBondContact O-CB 3.38Å; N663-N667 PolarHBondContact O-N 3.42Å; N663-N667 PolarHBondContact O-OD1 3.3Å |
| 664 | T | 73.7 | Confident | 72.4 | Confident | 69 Ų | 69 | 99.7 Ų | 99.7 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 175.9 | -57 | 0 | 0 | 0 | 0 | 111.5 | Q660 T661 L662 Q668 | Q660-T664 WeakPolarHBondContact O-CB 3.49Å; Q660-T664 PolarHBondContact O-N 3.43Å; Q660-T664 PolarHBondContact O-OG1 3.45Å; T661-T664 PolarHBondContact O-N 3.3Å; L662-T664 PolarHBondContact O-N 3.48Å; T664-Q668 WeakPolarHBondContact O-CG 3.45Å; T664-Q668 PolarHBondContact O-N 3.2Å |
| 665 | T | 70.7 | Confident | 72.5 | Confident | 81 Ų | 81 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 177.6 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | T661 L662 N663 Q668 F669 | T661-T665 WeakPolarHBondContact O-CB 2.94Å; T661-T665 PolarHBondContact O-N 2.83Å; T661-T665 PolarHBondContact O-OG1 2.83Å; L662-T665 PolarHBondContact O-N 2.97Å; N663-T665 VanDerWaalsContact C-N 3.33Å; N663-T665 PolarHBondContact O-N 3.06Å; T665-Q668 PolarHBondContact O-N 3.28Å; T665-F669 PolarHBondContact O-N 2.67Å |
| 666 | K | 77.4 | Confident | 72.5 | Confident | 113 Ų | 113 | 101 Ų | 101 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 174 | 178.7 | 178.6 | 169.7 | -179.5 | 0 | 111.3 | L662 N663 Q668 F669 E670 | L662-K666 WeakPolarHBondContact O-CB 3.34Å; L662-K666 PolarHBondContact O-N 3.34Å; N663-K666 PolarHBondContact O-N 3.18Å; K666-Q668 VanDerWaalsContact C-N 3.28Å; K666-Q668 PolarHBondContact O-N 2.93Å; K666-F669 WeakPolarHBondContact O-CB 3.46Å; K666-F669 PolarHBondContact O-N 2.85Å; K666-E670 WeakPolarHBondContact CE-OE1 3.23Å; K666-E670 HydrophobicContact CG-CG 4.46Å; K666-E670 IonicContact NZ-OE1 3.78Å; K666-E670 PolarHBondContact O-N 2.93Å |
| 667 | N | 75.8 | Confident | 72.3 | Confident | 98 Ų | 98 | 98.3 Ų | 98.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 178.9 | -65.7 | 1.1 | 0 | 0 | 0 | 112.1 | N663 S671 | N663-N667 WeakPolarHBondContact O-CB 3.38Å; N663-N667 PolarHBondContact O-N 3.42Å; N663-N667 PolarHBondContact O-OD1 3.3Å; N667-S671 VanDerWaalsContact O-CB 3.26Å; N667-S671 WeakPolarHBondContact O-CB 3.33Å; N667-S671 PolarHBondContact O-N 3.39Å |
| 668 | Q | 74.8 | Confident | 72.2 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 171.1 | -73.8 | 178.3 | 25.5 | 0 | 0 | 112.1 | T664 T665 K666 S671 I672 | T664-Q668 WeakPolarHBondContact O-CG 3.45Å; T664-Q668 PolarHBondContact O-N 3.2Å; T665-Q668 PolarHBondContact O-N 3.28Å; K666-Q668 VanDerWaalsContact C-N 3.28Å; K666-Q668 PolarHBondContact O-N 2.93Å; Q668-S671 PolarHBondContact O-N 2.88Å; Q668-I672 VanDerWaalsContact O-CG1 3.28Å; Q668-I672 WeakPolarHBondContact O-CG1 3.43Å; Q668-I672 PolarHBondContact O-N 2.82Å |
| 669 | F | 70.7 | Confident | 72.5 | Confident | 135 Ų | 135 | 99.4 Ų | 99.4 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -47.9 | 176.2 | -173.8 | -90.3 | 0 | 0 | 0 | 111.8 | T665 K666 S671 I672 Q673 | T665-F669 PolarHBondContact O-N 2.67Å; K666-F669 WeakPolarHBondContact O-CB 3.46Å; K666-F669 PolarHBondContact O-N 2.85Å; F669-S671 VanDerWaalsContact C-N 3.29Å; F669-S671 PolarHBondContact O-N 3.24Å; F669-I672 PolarHBondContact O-N 2.88Å; F669-I672 VanDerWaalsContact O-N 3.16Å; F669-Q673 WeakPolarHBondContact O-CB 3.46Å; F669-Q673 PolarHBondContact O-N 3.21Å |
| 670 | E | 67.9 | Low | 72.2 | Confident | 86 Ų | 86 | 96.5 Ų | 96.5 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 176.6 | -71.1 | 177.3 | 173.5 | 0 | 0 | 111.9 | K666 T674 | K666-E670 WeakPolarHBondContact CE-OE1 3.23Å; K666-E670 HydrophobicContact CG-CG 4.46Å; K666-E670 IonicContact NZ-OE1 3.78Å; K666-E670 PolarHBondContact O-N 2.93Å; E670-T674 VanDerWaalsContact O-CB 3.29Å; E670-T674 WeakPolarHBondContact O-CB 3.46Å; E670-T674 PolarHBondContact O-N 3.34Å; E670-T674 PolarHBondContact O-OG1 2.95Å |
| 671 | S | 72.3 | Confident | 71.8 | Confident | 59 Ų | 59 | 95.4 Ų | 95.4 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 173.3 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | N667 Q668 F669 T674 Q675 | N667-S671 VanDerWaalsContact O-CB 3.26Å; N667-S671 WeakPolarHBondContact O-CB 3.33Å; N667-S671 PolarHBondContact O-N 3.39Å; Q668-S671 PolarHBondContact O-N 2.88Å; F669-S671 VanDerWaalsContact C-N 3.29Å; F669-S671 PolarHBondContact O-N 3.24Å; S671-T674 PolarHBondContact O-N 2.92Å; S671-Q675 WeakPolarHBondContact O-CB 3.4Å; S671-Q675 VanDerWaalsContact O-CG 3.31Å; S671-Q675 WeakPolarHBondContact O-CG 3.5Å; S671-Q675 PolarHBondContact O-N 3.42Å; S671-Q675 PolarHBondContact OG-NE2 3.38Å |
| 672 | I | 72.9 | Confident | 71.8 | Confident | 110 Ų | 110 | 95.1 Ų | 95.1 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 175.4 | -70.1 | 165.5 | 0 | 0 | 0 | 110.7 | Q668 F669 Q675 F676 | Q668-I672 VanDerWaalsContact O-CG1 3.28Å; Q668-I672 WeakPolarHBondContact O-CG1 3.43Å; Q668-I672 PolarHBondContact O-N 2.82Å; F669-I672 PolarHBondContact O-N 2.88Å; F669-I672 VanDerWaalsContact O-N 3.16Å; I672-Q675 PolarHBondContact O-N 3.38Å; I672-F676 WeakPolarHBondContact O-CB 3.33Å; I672-F676 PolarHBondContact O-N 2.96Å |
| 673 | Q | 69.4 | Low | 71.7 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 175.8 | -177.4 | 178 | -2.1 | 0 | 0 | 111 | F669 F676 I677 | F669-Q673 WeakPolarHBondContact O-CB 3.46Å; F669-Q673 PolarHBondContact O-N 3.21Å; Q673-F676 PolarHBondContact O-N 3.43Å; Q673-I677 HydrophobicContact CG-CD1 3.89Å; Q673-I677 WeakPolarHBondContact O-CB 3.28Å; Q673-I677 VanDerWaalsContact O-CG1 3.31Å; Q673-I677 WeakPolarHBondContact O-CG1 3.38Å; Q673-I677 PolarHBondContact O-N 3.45Å |
| 674 | T | 71 | Confident | 71.4 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 45% | 0.454 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | E670 S671 F676 I677 N678 | E670-T674 VanDerWaalsContact O-CB 3.29Å; E670-T674 WeakPolarHBondContact O-CB 3.46Å; E670-T674 PolarHBondContact O-N 3.34Å; E670-T674 PolarHBondContact O-OG1 2.95Å; S671-T674 PolarHBondContact O-N 2.92Å; T674-F676 VanDerWaalsContact C-N 3.33Å; T674-F676 PolarHBondContact O-N 3.31Å; T674-I677 PolarHBondContact O-N 3.21Å; T674-N678 VanDerWaalsContact O-CB 3.29Å; T674-N678 WeakPolarHBondContact O-CB 3.27Å; T674-N678 PolarHBondContact O-N 2.8Å; T674-N678 PolarHBondContact O-ND2 2.87Å; T674-N678 PolarHBondContact O-OD1 3.47Å |
| 675 | Q | 74.2 | Confident | 71.4 | Confident | 130 Ų | 130 | 92.9 Ų | 92.9 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -36.2 | 174.5 | -74.4 | 176.5 | 40.2 | 0 | 0 | 112.6 | S671 I672 K679 | S671-Q675 WeakPolarHBondContact O-CB 3.4Å; S671-Q675 VanDerWaalsContact O-CG 3.31Å; S671-Q675 WeakPolarHBondContact O-CG 3.5Å; S671-Q675 PolarHBondContact O-N 3.42Å; S671-Q675 PolarHBondContact OG-NE2 3.38Å; I672-Q675 PolarHBondContact O-N 3.38Å; Q675-K679 VanDerWaalsContact O-CB 3.24Å; Q675-K679 WeakPolarHBondContact O-CB 3.25Å; Q675-K679 PolarHBondContact O-N 3.5Å; Q675-K679 VanDerWaalsContact O-N 3.11Å |
| 676 | F | 68.4 | Low | 71.5 | Confident | 124 Ų | 124 | 92.1 Ų | 92.1 | 54% | 0.544 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.9 | -47.8 | 175.9 | -172.1 | -95.8 | 0 | 0 | 0 | 111.5 | I672 Q673 T674 K679 C680 | I672-F676 WeakPolarHBondContact O-CB 3.33Å; I672-F676 PolarHBondContact O-N 2.96Å; Q673-F676 PolarHBondContact O-N 3.43Å; T674-F676 VanDerWaalsContact C-N 3.33Å; T674-F676 PolarHBondContact O-N 3.31Å; F676-K679 PolarHBondContact O-N 2.77Å; F676-C680 VanDerWaalsContact CE1-SG 3.6Å; F676-C680 WeakPolarHBondContact O-CB 3.39Å; F676-C680 PolarHBondContact O-N 3.49Å; F676-C680 PolarHBondContact O-SG 3.28Å; F676-C680 VanDerWaalsContact O-SG 3.4Å |
| 677 | I | 69.9 | Low | 71.1 | Confident | 73 Ų | 73 | 90.6 Ų | 90.6 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.7 | -55 | 176 | -69.5 | 167.9 | 0 | 0 | 0 | 110.4 | Q673 T674 K679 C680 E681 | Q673-I677 HydrophobicContact CG-CD1 3.89Å; Q673-I677 WeakPolarHBondContact O-CB 3.28Å; Q673-I677 VanDerWaalsContact O-CG1 3.31Å; Q673-I677 WeakPolarHBondContact O-CG1 3.38Å; Q673-I677 PolarHBondContact O-N 3.45Å; T674-I677 PolarHBondContact O-N 3.21Å; I677-K679 PolarHBondContact O-N 2.89Å; I677-K679 VanDerWaalsContact O-N 3.12Å; I677-C680 PolarHBondContact O-N 3.33Å; I677-E681 HydrophobicContact CG2-CG 4.26Å; I677-E681 WeakPolarHBondContact O-CB 3.23Å; I677-E681 WeakPolarHBondContact O-CG 3.08Å; I677-E681 PolarHBondContact O-N 3.21Å |
| 678 | N | 73.8 | Confident | 70.9 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.1 | -34.8 | 178.9 | -69.3 | -6.2 | 0 | 0 | 0 | 112.3 | T674 S682 | T674-N678 VanDerWaalsContact O-CB 3.29Å; T674-N678 WeakPolarHBondContact O-CB 3.27Å; T674-N678 PolarHBondContact O-N 2.8Å; T674-N678 PolarHBondContact O-ND2 2.87Å; T674-N678 PolarHBondContact O-OD1 3.47Å; N678-S682 WeakPolarHBondContact O-CB 3.21Å; N678-S682 PolarHBondContact O-N 3.28Å; N678-S682 PolarHBondContact O-OG 3.34Å |
| 679 | K | 76.3 | Confident | 70.9 | Confident | 100 Ų | 100 | 88.3 Ų | 88.3 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.4 | -50.5 | 175.4 | -176.3 | -179.4 | 170.9 | -171.3 | 0 | 111.4 | Q675 F676 I677 E681 S682 E683 | Q675-K679 VanDerWaalsContact O-CB 3.24Å; Q675-K679 WeakPolarHBondContact O-CB 3.25Å; Q675-K679 PolarHBondContact O-N 3.5Å; Q675-K679 VanDerWaalsContact O-N 3.11Å; F676-K679 PolarHBondContact O-N 2.77Å; I677-K679 PolarHBondContact O-N 2.89Å; I677-K679 VanDerWaalsContact O-N 3.12Å; K679-E681 VanDerWaalsContact C-N 3.27Å; K679-E681 PolarHBondContact O-N 2.97Å; K679-S682 PolarHBondContact O-N 2.92Å; K679-S682 VanDerWaalsContact O-N 3.09Å; K679-S682 PolarHBondContact O-OG 2.87Å; K679-E683 WeakPolarHBondContact CE-OE1 3.48Å; K679-E683 IonicContact NZ-OE1 2.76Å; K679-E683 PolarHBondContact O-N 2.85Å |
| 680 | C | 64.1 | Low | 71 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.8 | -36.9 | 177 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | F676 I677 S684 | F676-C680 VanDerWaalsContact CE1-SG 3.6Å; F676-C680 WeakPolarHBondContact O-CB 3.39Å; F676-C680 PolarHBondContact O-N 3.49Å; F676-C680 PolarHBondContact O-SG 3.28Å; F676-C680 VanDerWaalsContact O-SG 3.4Å; I677-C680 PolarHBondContact O-N 3.33Å; C680-S684 WeakPolarHBondContact O-CB 3.4Å; C680-S684 PolarHBondContact O-N 2.84Å |
| 681 | E | 67 | Low | 71.1 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 170.6 | -72.8 | -179 | 176.9 | 0 | 0 | 111.7 | I677 K679 E683 S684 V685 | I677-E681 HydrophobicContact CG2-CG 4.26Å; I677-E681 WeakPolarHBondContact O-CB 3.23Å; I677-E681 WeakPolarHBondContact O-CG 3.08Å; I677-E681 PolarHBondContact O-N 3.21Å; K679-E681 VanDerWaalsContact C-N 3.27Å; K679-E681 PolarHBondContact O-N 2.97Å; E681-E683 PolarHBondContact O-N 3.25Å; E681-S684 PolarHBondContact O-N 2.8Å; E681-V685 WeakPolarHBondContact O-CB 3.47Å; E681-V685 WeakPolarHBondContact O-CG2 3.37Å; E681-V685 PolarHBondContact O-N 2.81Å |
| 682 | S | 71.7 | Confident | 71.1 | Confident | 72 Ų | 72 | 90.8 Ų | 90.8 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 178.4 | 74 | 0 | 0 | 0 | 0 | 113.1 | N678 K679 S686 | N678-S682 WeakPolarHBondContact O-CB 3.21Å; N678-S682 PolarHBondContact O-N 3.28Å; N678-S682 PolarHBondContact O-OG 3.34Å; K679-S682 PolarHBondContact O-N 2.92Å; K679-S682 VanDerWaalsContact O-N 3.09Å; K679-S682 PolarHBondContact O-OG 2.87Å; S682-S686 PolarHBondContact O-N 3.16Å; S682-S686 VanDerWaalsContact O-N 3.15Å |
| 683 | E | 71.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 90.2 Ų | 90.2 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 174.7 | -69.3 | 179.6 | 174.3 | 0 | 0 | 110.1 | K679 E681 S686 H687 | K679-E683 WeakPolarHBondContact CE-OE1 3.48Å; K679-E683 IonicContact NZ-OE1 2.76Å; K679-E683 PolarHBondContact O-N 2.85Å; E681-E683 PolarHBondContact O-N 3.25Å; E683-S686 WeakPolarHBondContact O-CB 3.49Å; E683-S686 PolarHBondContact O-N 2.71Å; E683-H687 VanDerWaalsContact O-CG 3.32Å; E683-H687 PolarHBondContact O-N 2.79Å; E683-H687 PolarHBondContact O-ND1 3.41Å |
| 684 | S | 67 | Low | 71.2 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.8 | 178.4 | 0 | 0 | 0 | 0 | 113.2 | C680 E681 S686 H687 N688 | C680-S684 WeakPolarHBondContact O-CB 3.4Å; C680-S684 PolarHBondContact O-N 2.84Å; E681-S684 PolarHBondContact O-N 2.8Å; S684-S686 VanDerWaalsContact C-N 3.34Å; S684-S686 PolarHBondContact O-N 3.14Å; S684-H687 PolarHBondContact O-N 3.39Å; S684-N688 WeakPolarHBondContact O-CB 3.38Å; S684-N688 PolarHBondContact O-N 2.7Å; S684-N688 PolarHBondContact O-ND2 2.88Å |
| 685 | V | 72.6 | Confident | 71.2 | Confident | 92 Ų | 92 | 90.3 Ų | 90.3 | 56% | 0.558 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65 | -38.3 | 176.3 | 169.3 | 0 | 0 | 0 | 0 | 111 | E681 T689 | E681-V685 WeakPolarHBondContact O-CB 3.47Å; E681-V685 WeakPolarHBondContact O-CG2 3.37Å; E681-V685 PolarHBondContact O-N 2.81Å; V685-T689 WeakPolarHBondContact O-CB 3.37Å; V685-T689 PolarHBondContact O-N 2.71Å; V685-T689 PolarHBondContact O-OG1 2.97Å |
| 686 | S | 73.4 | Confident | 71.3 | Confident | 64 Ų | 64 | 88.2 Ų | 88.2 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -51.6 | 173.6 | -164.6 | 0 | 0 | 0 | 0 | 111.2 | S682 E683 S684 N688 T689 E690 | S682-S686 PolarHBondContact O-N 3.16Å; S682-S686 VanDerWaalsContact O-N 3.15Å; E683-S686 WeakPolarHBondContact O-CB 3.49Å; E683-S686 PolarHBondContact O-N 2.71Å; S684-S686 VanDerWaalsContact C-N 3.34Å; S684-S686 PolarHBondContact O-N 3.14Å; S686-N688 PolarHBondContact O-N 2.71Å; S686-T689 WeakPolarHBondContact O-CB 3.38Å; S686-T689 PolarHBondContact O-N 3.49Å; S686-T689 VanDerWaalsContact O-N 3.17Å; S686-E690 PolarHBondContact O-N 3.48Å |
| 687 | H | 68.4 | Low | 71.6 | Confident | 81 Ų | 81 | 87.3 Ų | 87.3 | 38% | 0.375 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 179.2 | -61.7 | 128 | 0 | 0 | 0 | 112.8 | E683 S684 T689 E690 L691 | E683-H687 VanDerWaalsContact O-CG 3.32Å; E683-H687 PolarHBondContact O-N 2.79Å; E683-H687 PolarHBondContact O-ND1 3.41Å; S684-H687 PolarHBondContact O-N 3.39Å; H687-T689 VanDerWaalsContact C-N 3.33Å; H687-T689 PolarHBondContact O-N 3.11Å; H687-E690 PolarHBondContact O-N 3.43Å; H687-L691 WeakPolarHBondContact O-CB 3.5Å; H687-L691 WeakPolarHBondContact O-CG 3.42Å; H687-L691 PolarHBondContact O-N 2.7Å |
| 688 | N | 71.3 | Confident | 71.6 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 172.3 | -100 | -61.9 | 0 | 0 | 0 | 111.9 | S684 S686 L691 Q692 | S684-N688 WeakPolarHBondContact O-CB 3.38Å; S684-N688 PolarHBondContact O-N 2.7Å; S684-N688 PolarHBondContact O-ND2 2.88Å; S686-N688 PolarHBondContact O-N 2.71Å; N688-L691 PolarHBondContact O-N 3.49Å; N688-Q692 VanDerWaalsContact O-CB 3.28Å; N688-Q692 WeakPolarHBondContact O-CB 3.43Å; N688-Q692 PolarHBondContact O-N 3.26Å |
| 689 | T | 74.9 | Confident | 71.6 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 177.1 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | V685 S686 H687 N693 | V685-T689 WeakPolarHBondContact O-CB 3.37Å; V685-T689 PolarHBondContact O-N 2.71Å; V685-T689 PolarHBondContact O-OG1 2.97Å; S686-T689 WeakPolarHBondContact O-CB 3.38Å; S686-T689 PolarHBondContact O-N 3.49Å; S686-T689 VanDerWaalsContact O-N 3.17Å; H687-T689 VanDerWaalsContact C-N 3.33Å; H687-T689 PolarHBondContact O-N 3.11Å; T689-N693 PolarHBondContact O-N 2.94Å; T689-N693 VanDerWaalsContact O-N 3.07Å; T689-N693 PolarHBondContact O-ND2 2.72Å |
| 690 | E | 73.8 | Confident | 71.6 | Confident | 98 Ų | 98 | 85.3 Ų | 85.3 | 46% | 0.458 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 173.8 | -69.1 | -170.2 | 160.1 | 0 | 0 | 112.4 | S686 H687 Q692 N693 I694 | S686-E690 PolarHBondContact O-N 3.48Å; H687-E690 PolarHBondContact O-N 3.43Å; E690-Q692 VanDerWaalsContact C-N 3.35Å; E690-Q692 PolarHBondContact O-N 2.9Å; E690-N693 PolarHBondContact O-N 3.31Å; E690-I694 WeakPolarHBondContact O-CD1 3.16Å; E690-I694 VanDerWaalsContact O-CG1 3.28Å; E690-I694 WeakPolarHBondContact O-CG1 3.31Å; E690-I694 PolarHBondContact O-N 3.07Å |
| 691 | L | 70.7 | Confident | 71.7 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 52% | 0.518 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 174 | -78.8 | 167.2 | 0 | 0 | 0 | 112 | H687 N688 N693 I694 Q695 | H687-L691 WeakPolarHBondContact O-CB 3.5Å; H687-L691 WeakPolarHBondContact O-CG 3.42Å; H687-L691 PolarHBondContact O-N 2.7Å; N688-L691 PolarHBondContact O-N 3.49Å; L691-N693 PolarHBondContact O-N 2.65Å; L691-I694 PolarHBondContact O-N 3.46Å; L691-Q695 VanDerWaalsContact O-CB 3.32Å; L691-Q695 WeakPolarHBondContact O-CB 3.45Å; L691-Q695 PolarHBondContact O-N 3.28Å |
| 692 | Q | 71.6 | Confident | 71.8 | Confident | 134 Ų | 134 | 85.8 Ų | 85.8 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.8 | -36.9 | 179.1 | -163.8 | 174.8 | 56.6 | 0 | 0 | 111.8 | N688 E690 T696 | N688-Q692 VanDerWaalsContact O-CB 3.28Å; N688-Q692 WeakPolarHBondContact O-CB 3.43Å; N688-Q692 PolarHBondContact O-N 3.26Å; E690-Q692 VanDerWaalsContact C-N 3.35Å; E690-Q692 PolarHBondContact O-N 2.9Å; Q692-T696 WeakPolarHBondContact O-CB 3.38Å; Q692-T696 PolarHBondContact O-N 3.34Å; Q692-T696 PolarHBondContact O-OG1 2.91Å |
| 693 | N | 74.4 | Confident | 72.1 | Confident | 99 Ų | 99 | 88.5 Ų | 88.5 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 171 | -76.4 | -48.1 | 0 | 0 | 0 | 111.7 | T689 E690 L691 Q695 T696 E697 | T689-N693 PolarHBondContact O-N 2.94Å; T689-N693 VanDerWaalsContact O-N 3.07Å; T689-N693 PolarHBondContact O-ND2 2.72Å; E690-N693 PolarHBondContact O-N 3.31Å; L691-N693 PolarHBondContact O-N 2.65Å; N693-Q695 PolarHBondContact O-N 2.92Å; N693-T696 WeakPolarHBondContact O-CB 3.3Å; N693-T696 PolarHBondContact O-N 3.42Å; N693-E697 PolarHBondContact O-N 2.92Å |
| 694 | I | 70.4 | Confident | 72.3 | Confident | 37 Ų | 37 | 91.5 Ų | 91.5 | 19% | 0.19 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.7 | -69.9 | 162.2 | 0 | 0 | 0 | 111.3 | E690 L691 T696 E697 L698 I769 | E690-I694 WeakPolarHBondContact O-CD1 3.16Å; E690-I694 VanDerWaalsContact O-CG1 3.28Å; E690-I694 WeakPolarHBondContact O-CG1 3.31Å; E690-I694 PolarHBondContact O-N 3.07Å; L691-I694 PolarHBondContact O-N 3.46Å; I694-T696 VanDerWaalsContact C-N 3.31Å; I694-T696 PolarHBondContact O-N 3.24Å; I694-E697 PolarHBondContact O-N 3.28Å; I694-L698 HydrophobicContact CG2-CD1 4.11Å; I694-L698 WeakPolarHBondContact O-CB 3.29Å; I694-L698 PolarHBondContact O-N 2.86Å; I694-I769 HydrophobicContact CD1-CD1 3.56Å |
| 695 | Q | 71.1 | Confident | 72.5 | Confident | 132 Ų | 132 | 91.2 Ų | 91.2 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.1 | -34.7 | 176.4 | -171.1 | 175.6 | 8.1 | 0 | 0 | 112 | L691 N693 T699 | L691-Q695 VanDerWaalsContact O-CB 3.32Å; L691-Q695 WeakPolarHBondContact O-CB 3.45Å; L691-Q695 PolarHBondContact O-N 3.28Å; N693-Q695 PolarHBondContact O-N 2.92Å; Q695-T699 WeakPolarHBondContact O-CB 3.47Å; Q695-T699 PolarHBondContact O-N 2.78Å; Q695-T699 PolarHBondContact O-OG1 2.98Å |
| 696 | T | 75.6 | Confident | 72.7 | Confident | 86 Ų | 86 | 92.5 Ų | 92.5 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | Q692 N693 I694 T699 E700 | Q692-T696 WeakPolarHBondContact O-CB 3.38Å; Q692-T696 PolarHBondContact O-N 3.34Å; Q692-T696 PolarHBondContact O-OG1 2.91Å; N693-T696 WeakPolarHBondContact O-CB 3.3Å; N693-T696 PolarHBondContact O-N 3.42Å; I694-T696 VanDerWaalsContact C-N 3.31Å; I694-T696 PolarHBondContact O-N 3.24Å; T696-T699 PolarHBondContact O-N 2.99Å; T696-E700 PolarHBondContact O-N 2.88Å; T696-E700 VanDerWaalsContact O-N 3.07Å |
| 697 | E | 73.9 | Confident | 72.9 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 173.8 | -74 | -172.5 | 172.8 | 0 | 0 | 112.3 | N693 I694 T699 E700 A701 K765 | N693-E697 PolarHBondContact O-N 2.92Å; I694-E697 PolarHBondContact O-N 3.28Å; E697-T699 VanDerWaalsContact C-N 3.32Å; E697-T699 PolarHBondContact O-N 3.32Å; E697-E700 PolarHBondContact O-N 2.84Å; E697-A701 WeakPolarHBondContact O-CB 3.25Å; E697-A701 PolarHBondContact O-N 3.47Å; E697-K765 IonicContact OE1-NZ 2.58Å; E697-K765 PolarHBondContact OE1-NZ 2.87Å; E697-K765 IonicContact OE2-NZ 3.78Å; E697-K765 PolarHBondContact OE2-NZ 2.69Å |
| 698 | L | 70.1 | Confident | 73.2 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 27% | 0.272 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58 | -44.2 | 174.5 | -94.6 | 160.3 | 0 | 0 | 0 | 111.3 | I694 E700 A701 Y702 L762 | I694-L698 HydrophobicContact CG2-CD1 4.11Å; I694-L698 WeakPolarHBondContact O-CB 3.29Å; I694-L698 PolarHBondContact O-N 2.86Å; L698-E700 VanDerWaalsContact C-N 3.3Å; L698-E700 PolarHBondContact O-N 3.33Å; L698-A701 PolarHBondContact O-N 2.95Å; L698-Y702 HydrophobicContact CB-CE2 4.49Å; L698-Y702 HydrophobicContact CD2-CE2 3.92Å; L698-Y702 WeakPolarHBondContact O-CD2 3.36Å; L698-Y702 PolarHBondContact O-N 2.91Å; L698-L762 HydrophobicContact CD1-CD2 4.38Å; L698-L762 HydrophobicContact CD2-CD1 4.32Å; L698-L762 HydrophobicContact CD2-CD2 4.17Å; L698-L762 HydrophobicContact CG-CD2 4.3Å |
| 699 | T | 74.6 | Confident | 73.2 | Confident | 69 Ų | 69 | 93.2 Ų | 93.2 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 178 | -58.9 | 0 | 0 | 0 | 0 | 112 | Q695 T696 E697 K703 | Q695-T699 WeakPolarHBondContact O-CB 3.47Å; Q695-T699 PolarHBondContact O-N 2.78Å; Q695-T699 PolarHBondContact O-OG1 2.98Å; T696-T699 PolarHBondContact O-N 2.99Å; E697-T699 VanDerWaalsContact C-N 3.32Å; E697-T699 PolarHBondContact O-N 3.32Å; T699-K703 WeakPolarHBondContact O-CG 3.42Å; T699-K703 PolarHBondContact O-N 3.48Å |
| 700 | E | 75.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 48% | 0.477 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.9 | -34.4 | 174.8 | -153.2 | -172.9 | 133.1 | 0 | 0 | 112.7 | T696 E697 L698 K703 R704 | T696-E700 PolarHBondContact O-N 2.88Å; T696-E700 VanDerWaalsContact O-N 3.07Å; E697-E700 PolarHBondContact O-N 2.84Å; L698-E700 VanDerWaalsContact C-N 3.3Å; L698-E700 PolarHBondContact O-N 3.33Å; E700-K703 PolarHBondContact O-N 2.88Å; E700-R704 WeakPolarHBondContact O-CG 3.45Å; E700-R704 PolarHBondContact O-N 2.88Å; E700-R704 VanDerWaalsContact O-N 3.11Å; E700-R704 IonicContact OE1-CZ 2.62Å; E700-R704 IonicContact OE1-NE 2.63Å; E700-R704 PolarHBondContact OE1-NE 2.65Å; E700-R704 IonicContact OE1-NH2 2.84Å; E700-R704 PolarHBondContact OE1-NH2 3.34Å |
| 701 | A | 67.1 | Low | 73.3 | Confident | 22 Ų | 22 | 92.9 Ų | 92.9 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E697 L698 K703 R704 I705 | E697-A701 WeakPolarHBondContact O-CB 3.25Å; E697-A701 PolarHBondContact O-N 3.47Å; L698-A701 PolarHBondContact O-N 2.95Å; A701-K703 PolarHBondContact O-N 3.2Å; A701-R704 WeakPolarHBondContact O-CB 3.45Å; A701-R704 PolarHBondContact O-N 3.46Å; A701-R704 VanDerWaalsContact O-N 3.11Å; A701-I705 WeakPolarHBondContact O-CG1 3.49Å; A701-I705 PolarHBondContact O-N 3.08Å |
| 702 | Y | 69 | Low | 73.5 | Confident | 154 Ų | 154 | 90.5 Ų | 90.5 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.5 | -44.6 | 174.7 | -79.4 | -61.2 | 0 | 0 | 0 | 112.3 | L698 R704 I705 E706 | L698-Y702 HydrophobicContact CB-CE2 4.49Å; L698-Y702 HydrophobicContact CD2-CE2 3.92Å; L698-Y702 WeakPolarHBondContact O-CD2 3.36Å; L698-Y702 PolarHBondContact O-N 2.91Å; Y702-R704 VanDerWaalsContact C-N 3.25Å; Y702-R704 PolarHBondContact O-N 3.09Å; Y702-I705 HydrophobicContact CD1-CD1 4.48Å; Y702-I705 PolarHBondContact O-N 3.47Å; Y702-I705 VanDerWaalsContact O-N 3.16Å; Y702-E706 WeakPolarHBondContact O-CB 3.3Å; Y702-E706 PolarHBondContact O-N 3.18Å |
| 703 | K | 77.8 | Confident | 73.6 | Confident | 128 Ų | 128 | 91.5 Ų | 91.5 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61 | -31.4 | 175.3 | -73.1 | 173 | -178.8 | 174.6 | 0 | 113.4 | T699 E700 A701 N707 | T699-K703 WeakPolarHBondContact O-CG 3.42Å; T699-K703 PolarHBondContact O-N 3.48Å; E700-K703 PolarHBondContact O-N 2.88Å; A701-K703 PolarHBondContact O-N 3.2Å; K703-N707 WeakPolarHBondContact O-CB 3.5Å; K703-N707 PolarHBondContact O-N 3.04Å; K703-N707 VanDerWaalsContact O-N 3.14Å |
| 704 | R | 75.8 | Confident | 73.7 | Confident | 142 Ų | 142 | 89.6 Ų | 89.6 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.1 | -39.6 | 175.1 | -66.4 | 170.9 | -171.8 | -173.2 | 4.6 | 111.5 | E700 A701 Y702 L708 | E700-R704 WeakPolarHBondContact O-CG 3.45Å; E700-R704 PolarHBondContact O-N 2.88Å; E700-R704 VanDerWaalsContact O-N 3.11Å; E700-R704 IonicContact OE1-CZ 2.62Å; E700-R704 IonicContact OE1-NE 2.63Å; E700-R704 PolarHBondContact OE1-NE 2.65Å; E700-R704 IonicContact OE1-NH2 2.84Å; E700-R704 PolarHBondContact OE1-NH2 3.34Å; A701-R704 WeakPolarHBondContact O-CB 3.45Å; A701-R704 PolarHBondContact O-N 3.46Å; A701-R704 VanDerWaalsContact O-N 3.11Å; Y702-R704 VanDerWaalsContact C-N 3.25Å; Y702-R704 PolarHBondContact O-N 3.09Å; R704-L708 WeakPolarHBondContact O-CG 3.46Å; R704-L708 PolarHBondContact O-N 2.8Å; R704-L708 VanDerWaalsContact O-N 3.1Å |
| 705 | I | 71.3 | Confident | 73.7 | Confident | 52 Ų | 52 | 89 Ų | 89 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 172.8 | -64.5 | 165.7 | 0 | 0 | 0 | 110.4 | A701 Y702 N707 L708 Q709 L755 | A701-I705 WeakPolarHBondContact O-CG1 3.49Å; A701-I705 PolarHBondContact O-N 3.08Å; Y702-I705 HydrophobicContact CD1-CD1 4.48Å; Y702-I705 PolarHBondContact O-N 3.47Å; Y702-I705 VanDerWaalsContact O-N 3.16Å; I705-N707 PolarHBondContact O-N 3.36Å; I705-L708 PolarHBondContact O-N 3.4Å; I705-Q709 WeakPolarHBondContact O-CB 3.31Å; I705-Q709 PolarHBondContact O-N 3.39Å; I705-L755 HydrophobicContact CD1-CD2 3.83Å; I705-L755 HydrophobicContact CG1-CD2 4.13Å |
| 706 | E | 75.2 | Confident | 73.8 | Confident | 118 Ų | 118 | 86 Ų | 86 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57.5 | -45.4 | 178 | -176.2 | 177.8 | -147 | 0 | 0 | 111.7 | Y702 Q709 C710 | Y702-E706 WeakPolarHBondContact O-CB 3.3Å; Y702-E706 PolarHBondContact O-N 3.18Å; E706-Q709 WeakPolarHBondContact O-CB 3.34Å; E706-Q709 PolarHBondContact O-N 2.62Å; E706-C710 PolarHBondContact O-N 2.99Å; E706-C710 PolarHBondContact O-SG 3.49Å; E706-C710 VanDerWaalsContact O-SG 3.34Å |
| 707 | N | 77.5 | Confident | 73.9 | Confident | 93 Ų | 93 | 88.1 Ų | 88.1 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.7 | -171.4 | -16.8 | 0 | 0 | 0 | 112.4 | K703 I705 Q709 C710 Q711 | K703-N707 WeakPolarHBondContact O-CB 3.5Å; K703-N707 PolarHBondContact O-N 3.04Å; K703-N707 VanDerWaalsContact O-N 3.14Å; I705-N707 PolarHBondContact O-N 3.36Å; N707-Q709 VanDerWaalsContact C-N 3.31Å; N707-Q709 PolarHBondContact O-N 2.87Å; N707-C710 WeakPolarHBondContact O-CB 3.33Å; N707-C710 PolarHBondContact O-N 3.16Å; N707-Q711 WeakPolarHBondContact O-CG 3.45Å; N707-Q711 PolarHBondContact O-N 3.46Å; N707-Q711 PolarHBondContact OD1-NE2 3.32Å |
| 708 | L | 74.6 | Confident | 73.8 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 174.8 | -71.4 | 166.4 | 0 | 0 | 0 | 112.2 | R704 I705 Q711 L712 L754 | R704-L708 WeakPolarHBondContact O-CG 3.46Å; R704-L708 PolarHBondContact O-N 2.8Å; R704-L708 VanDerWaalsContact O-N 3.1Å; I705-L708 PolarHBondContact O-N 3.4Å; L708-Q711 PolarHBondContact O-N 3.32Å; L708-L712 WeakPolarHBondContact O-CB 3.22Å; L708-L712 PolarHBondContact O-N 2.92Å; L708-L754 HydrophobicContact CD1-CD1 3.64Å |
| 709 | Q | 71.8 | Confident | 73.8 | Confident | 108 Ų | 108 | 86.4 Ų | 86.4 | 51% | 0.505 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 174.6 | -170.8 | 176.1 | 7 | 0 | 0 | 111.2 | I705 E706 N707 L712 Y713 | I705-Q709 WeakPolarHBondContact O-CB 3.31Å; I705-Q709 PolarHBondContact O-N 3.39Å; E706-Q709 WeakPolarHBondContact O-CB 3.34Å; E706-Q709 PolarHBondContact O-N 2.62Å; N707-Q709 VanDerWaalsContact C-N 3.31Å; N707-Q709 PolarHBondContact O-N 2.87Å; Q709-L712 PolarHBondContact O-N 2.78Å; Q709-Y713 HydrophobicContact CG-CD2 4.13Å; Q709-Y713 HydrophobicContact CG-CE2 4.18Å; Q709-Y713 WeakPolarHBondContact O-CD2 3.47Å; Q709-Y713 PolarHBondContact O-N 2.88Å |
| 710 | C | 75.3 | Confident | 73.9 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 172 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | E706 N707 Y713 S714 | E706-C710 PolarHBondContact O-N 2.99Å; E706-C710 PolarHBondContact O-SG 3.49Å; E706-C710 VanDerWaalsContact O-SG 3.34Å; N707-C710 WeakPolarHBondContact O-CB 3.33Å; N707-C710 PolarHBondContact O-N 3.16Å; C710-Y713 PolarHBondContact O-N 2.76Å; C710-S714 PolarHBondContact O-N 3.32Å; C710-S714 PolarHBondContact O-OG 2.96Å |
| 711 | Q | 76.2 | Confident | 73.7 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177 | -69.2 | 172.5 | 43.1 | 0 | 0 | 111.7 | N707 L708 Y713 S714 S715 | N707-Q711 WeakPolarHBondContact O-CG 3.45Å; N707-Q711 PolarHBondContact O-N 3.46Å; N707-Q711 PolarHBondContact OD1-NE2 3.32Å; L708-Q711 PolarHBondContact O-N 3.32Å; Q711-Y713 VanDerWaalsContact C-N 3.35Å; Q711-Y713 PolarHBondContact O-N 3Å; Q711-S714 PolarHBondContact O-N 3.49Å; Q711-S715 PolarHBondContact O-N 2.87Å; Q711-S715 PolarHBondContact O-OG 3.26Å |
| 712 | L | 73.7 | Confident | 73.8 | Confident | 49 Ų | 49 | 88.3 Ų | 88.3 | 26% | 0.257 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.8 | -168.2 | 73.4 | 0 | 0 | 0 | 111.5 | L708 Q709 S715 I716 L744 L747 | L708-L712 WeakPolarHBondContact O-CB 3.22Å; L708-L712 PolarHBondContact O-N 2.92Å; Q709-L712 PolarHBondContact O-N 2.78Å; L712-S715 PolarHBondContact O-N 3.09Å; L712-I716 HydrophobicContact CD2-CD1 4.5Å; L712-I716 HydrophobicContact CG-CD1 4.06Å; L712-I716 VanDerWaalsContact O-CG1 3.26Å; L712-I716 WeakPolarHBondContact O-CG1 3.3Å; L712-I716 PolarHBondContact O-N 2.88Å; L712-L744 HydrophobicContact CD1-CD2 4.05Å; L712-L747 HydrophobicContact CD1-CB 4.29Å |
| 713 | Y | 74.7 | Confident | 73.8 | Confident | 154 Ų | 154 | 82.5 Ų | 82.5 | 60% | 0.604 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 173.3 | -96.4 | -71.1 | 0 | 0 | 0 | 112.2 | Q709 C710 Q711 S715 I716 E717 | Q709-Y713 HydrophobicContact CG-CD2 4.13Å; Q709-Y713 HydrophobicContact CG-CE2 4.18Å; Q709-Y713 WeakPolarHBondContact O-CD2 3.47Å; Q709-Y713 PolarHBondContact O-N 2.88Å; C710-Y713 PolarHBondContact O-N 2.76Å; Q711-Y713 VanDerWaalsContact C-N 3.35Å; Q711-Y713 PolarHBondContact O-N 3Å; Y713-S715 VanDerWaalsContact C-N 3.34Å; Y713-S715 PolarHBondContact O-N 2.8Å; Y713-I716 PolarHBondContact O-N 2.77Å; Y713-E717 PolarHBondContact O-N 2.8Å |
| 714 | S | 76.6 | Confident | 73.6 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 42% | 0.42 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.3 | -62 | 0 | 0 | 0 | 0 | 112.8 | C710 Q711 E717 Q718 | C710-S714 PolarHBondContact O-N 3.32Å; C710-S714 PolarHBondContact O-OG 2.96Å; Q711-S714 PolarHBondContact O-N 3.49Å; S714-E717 PolarHBondContact O-N 2.82Å; S714-Q718 VanDerWaalsContact O-CG 3.31Å; S714-Q718 WeakPolarHBondContact O-CG 3.01Å; S714-Q718 PolarHBondContact O-N 2.66Å |
| 715 | S | 69.7 | Low | 73.2 | Confident | 23 Ų | 23 | 77.7 Ų | 77.7 | 16% | 0.161 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71 | -33.9 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | Q711 L712 Y713 Q718 N719 | Q711-S715 PolarHBondContact O-N 2.87Å; Q711-S715 PolarHBondContact O-OG 3.26Å; L712-S715 PolarHBondContact O-N 3.09Å; Y713-S715 VanDerWaalsContact C-N 3.34Å; Y713-S715 PolarHBondContact O-N 2.8Å; S715-Q718 PolarHBondContact O-N 3.46Å; S715-N719 WeakPolarHBondContact O-CB 3.21Å; S715-N719 PolarHBondContact O-N 2.88Å; S715-N719 PolarHBondContact O-OD1 3.26Å; S715-N719 VanDerWaalsContact O-OD1 3.1Å |
| 716 | I | 74.5 | Confident | 72.8 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 172.4 | -69.3 | 164.5 | 0 | 0 | 0 | 110.8 | L712 Y713 N719 T720 L744 | L712-I716 HydrophobicContact CD2-CD1 4.5Å; L712-I716 HydrophobicContact CG-CD1 4.06Å; L712-I716 VanDerWaalsContact O-CG1 3.26Å; L712-I716 WeakPolarHBondContact O-CG1 3.3Å; L712-I716 PolarHBondContact O-N 2.88Å; Y713-I716 PolarHBondContact O-N 2.77Å; I716-N719 PolarHBondContact O-N 2.82Å; I716-T720 WeakPolarHBondContact O-CB 3.31Å; I716-T720 WeakPolarHBondContact O-CG2 3.18Å; I716-T720 PolarHBondContact O-N 2.67Å; I716-T720 PolarHBondContact O-OG1 2.66Å; I716-L744 HydrophobicContact CG1-CD1 3.88Å; I716-L744 HydrophobicContact CG1-CD2 4.19Å; I716-L744 HydrophobicContact CG1-CG 4.49Å |
| 717 | E | 77 | Confident | 72.3 | Confident | 130 Ų | 130 | 80 Ų | 80 | 61% | 0.607 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 175 | -171.4 | 168.6 | -148.1 | 0 | 0 | 111.4 | Y713 S714 T720 H721 | Y713-E717 PolarHBondContact O-N 2.8Å; S714-E717 PolarHBondContact O-N 2.82Å; E717-T720 WeakPolarHBondContact CA-OG1 3.44Å; E717-T720 PolarHBondContact O-N 3.33Å; E717-T720 PolarHBondContact O-OG1 2.76Å; E717-T720 VanDerWaalsContact O-OG1 3.11Å; E717-H721 PolarHBondContact O-N 2.63Å |
| 718 | Q | 72.6 | Confident | 71.8 | Confident | 105 Ų | 105 | 83 Ų | 83 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 172.5 | -73.3 | 171.7 | 4.6 | 0 | 0 | 112.5 | S714 S715 T720 H721 L722 | S714-Q718 VanDerWaalsContact O-CG 3.31Å; S714-Q718 WeakPolarHBondContact O-CG 3.01Å; S714-Q718 PolarHBondContact O-N 2.66Å; S715-Q718 PolarHBondContact O-N 3.46Å; Q718-T720 VanDerWaalsContact C-N 3.34Å; Q718-T720 PolarHBondContact O-N 3.4Å; Q718-H721 WeakPolarHBondContact O-CB 3.09Å; Q718-H721 PolarHBondContact O-N 2.79Å; Q718-L722 PolarHBondContact O-N 3.25Å |
| 719 | N | 68.9 | Low | 71.1 | Confident | 16 Ų | 16 | 86.6 Ų | 86.6 | 9% | 0.086 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 178.3 | -78.9 | 39.2 | 0 | 0 | 0 | 112.4 | S715 I716 L722 A723 H740 L744 | S715-N719 WeakPolarHBondContact O-CB 3.21Å; S715-N719 PolarHBondContact O-N 2.88Å; S715-N719 PolarHBondContact O-OD1 3.26Å; S715-N719 VanDerWaalsContact O-OD1 3.1Å; I716-N719 PolarHBondContact O-N 2.82Å; N719-L722 PolarHBondContact O-N 2.98Å; N719-A723 WeakPolarHBondContact O-CB 3.33Å; N719-A723 PolarHBondContact O-N 3.39Å; N719-H740 PolarHBondContact ND2-O 3.44Å; N719-H740 VanDerWaalsContact ND2-O 3.15Å; N719-H740 PolarHBondContact OD1-ND1 2.98Å; N719-L744 HydrophobicContact CB-CD1 4.03Å; N719-L744 WeakPolarHBondContact ND2-CD1 3.31Å |
| 720 | T | 76.2 | Confident | 70.3 | Confident | 70 Ų | 70 | 90.3 Ų | 90.3 | 43% | 0.429 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75.1 | -24.1 | 175.7 | 50.1 | 0 | 0 | 0 | 0 | 113 | I716 E717 Q718 K724 | I716-T720 WeakPolarHBondContact O-CB 3.31Å; I716-T720 WeakPolarHBondContact O-CG2 3.18Å; I716-T720 PolarHBondContact O-N 2.67Å; I716-T720 PolarHBondContact O-OG1 2.66Å; E717-T720 WeakPolarHBondContact CA-OG1 3.44Å; E717-T720 PolarHBondContact O-N 3.33Å; E717-T720 PolarHBondContact O-OG1 2.76Å; E717-T720 VanDerWaalsContact O-OG1 3.11Å; Q718-T720 VanDerWaalsContact C-N 3.34Å; Q718-T720 PolarHBondContact O-N 3.4Å; T720-K724 WeakPolarHBondContact O-CG 3.37Å; T720-K724 PolarHBondContact O-N 2.88Å |
| 721 | H | 73 | Confident | 69.4 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.8 | -48.7 | 164.5 | -115.3 | -71.4 | 0 | 0 | 0 | 111.6 | E717 Q718 A723 K724 T725 | E717-H721 PolarHBondContact O-N 2.63Å; Q718-H721 WeakPolarHBondContact O-CB 3.09Å; Q718-H721 PolarHBondContact O-N 2.79Å; H721-A723 VanDerWaalsContact C-N 3.31Å; H721-A723 PolarHBondContact O-N 3.38Å; H721-K724 PolarHBondContact O-N 2.89Å; H721-T725 PolarHBondContact O-N 3.34Å; H721-T725 VanDerWaalsContact O-N 3.07Å; H721-T725 PolarHBondContact O-OG1 3.31Å |
| 722 | L | 68.7 | Low | 68.5 | Low | 47 Ų | 47 | 94.1 Ų | 94.1 | 25% | 0.246 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 178.6 | -134.2 | 81.1 | 0 | 0 | 0 | 111.8 | Q718 N719 K724 T725 M726 H740 | Q718-L722 PolarHBondContact O-N 3.25Å; N719-L722 PolarHBondContact O-N 2.98Å; L722-K724 PolarHBondContact O-N 2.83Å; L722-T725 PolarHBondContact O-N 2.81Å; L722-M726 WeakPolarHBondContact O-CG 3.18Å; L722-M726 PolarHBondContact O-N 3.16Å; L722-H740 HydrophobicContact CD2-CB 4.24Å |
| 723 | A | 68 | Low | 67.8 | Low | 31 Ų | 31 | 93.8 Ų | 93.8 | 26% | 0.256 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N719 H721 M726 E727 Y737 | N719-A723 WeakPolarHBondContact O-CB 3.33Å; N719-A723 PolarHBondContact O-N 3.39Å; H721-A723 VanDerWaalsContact C-N 3.31Å; H721-A723 PolarHBondContact O-N 3.38Å; A723-M726 WeakPolarHBondContact O-CB 3.39Å; A723-M726 PolarHBondContact O-N 2.86Å; A723-E727 PolarHBondContact O-N 2.96Å; A723-Y737 HydrophobicContact CB-CE2 4.22Å |
| 724 | K | 73.6 | Confident | 67.4 | Low | 111 Ų | 111 | 91 Ų | 91 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.3 | -71.1 | 168.5 | -176.5 | 170.6 | 0 | 111.7 | T720 H721 L722 M726 E727 E728 | T720-K724 WeakPolarHBondContact O-CG 3.37Å; T720-K724 PolarHBondContact O-N 2.88Å; H721-K724 PolarHBondContact O-N 2.89Å; L722-K724 PolarHBondContact O-N 2.83Å; K724-M726 VanDerWaalsContact C-N 3.28Å; K724-M726 PolarHBondContact O-N 2.84Å; K724-E727 PolarHBondContact O-N 3.21Å; K724-E727 VanDerWaalsContact O-N 3.1Å; K724-E728 WeakPolarHBondContact O-CG 3.29Å; K724-E728 PolarHBondContact O-N 2.69Å |
| 725 | T | 68.6 | Low | 67 | Low | 58 Ų | 58 | 92 Ų | 92 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 177.2 | -49.5 | 0 | 0 | 0 | 0 | 112 | H721 L722 E728 E729 | H721-T725 PolarHBondContact O-N 3.34Å; H721-T725 VanDerWaalsContact O-N 3.07Å; H721-T725 PolarHBondContact O-OG1 3.31Å; L722-T725 PolarHBondContact O-N 2.81Å; T725-E728 PolarHBondContact O-N 3.46Å; T725-E729 HydrophobicContact CG2-CG 4.15Å; T725-E729 PolarHBondContact O-N 2.8Å |
| 726 | M | 62 | Low | 66.8 | Low | 52 Ų | 52 | 96.7 Ų | 96.7 | 26% | 0.256 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 171.3 | -67.9 | -179.9 | 77.1 | 0 | 0 | 113.3 | L722 A723 K724 E728 L734 Y737 | L722-M726 WeakPolarHBondContact O-CG 3.18Å; L722-M726 PolarHBondContact O-N 3.16Å; A723-M726 WeakPolarHBondContact O-CB 3.39Å; A723-M726 PolarHBondContact O-N 2.86Å; K724-M726 VanDerWaalsContact C-N 3.28Å; K724-M726 PolarHBondContact O-N 2.84Å; M726-E728 VanDerWaalsContact C-N 3.3Å; M726-L734 HydrophobicContact CE-CD1 4.4Å; M726-Y737 HydrophobicContact CE-CG 4.31Å; M726-Y737 WeakPolarHBondContact SD-CB 3.17Å; M726-Y737 HydrophobicContact SD-CD1 4.29Å; M726-Y737 HydrophobicContact SD-CD2 3.57Å; M726-Y737 VanDerWaalsContact SD-CD2 3.57Å; M726-Y737 HydrophobicContact SD-CE2 4.4Å; M726-Y737 HydrophobicContact SD-CG 3.5Å |
| 727 | E | 65.4 | Low | 66.5 | Low | 166 Ų | 166 | 97.2 Ų | 97.2 | 78% | 0.776 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.8 | -29.3 | 173.5 | -70.3 | -176.7 | 156.4 | 0 | 0 | 112.3 | A723 K724 | A723-E727 PolarHBondContact O-N 2.96Å; K724-E727 PolarHBondContact O-N 3.21Å; K724-E727 VanDerWaalsContact O-N 3.1Å |
| 728 | E | 67.1 | Low | 66.2 | Low | 157 Ų | 157 | 96 Ų | 96 | 73% | 0.734 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -88.6 | -38.7 | -177.1 | -72.3 | 177.7 | 172 | 0 | 0 | 114.6 | K724 T725 M726 | K724-E728 WeakPolarHBondContact O-CG 3.29Å; K724-E728 PolarHBondContact O-N 2.69Å; T725-E728 PolarHBondContact O-N 3.46Å; M726-E728 VanDerWaalsContact C-N 3.3Å |
| 729 | E | 59.2 | Low | 66.2 | Low | 132 Ų | 132 | 96.8 Ų | 96.8 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -103.9 | -10.4 | -167 | -61.8 | -156.4 | 134.4 | 0 | 0 | 117 | T725 V731 | T725-E729 HydrophobicContact CG2-CG 4.15Å; T725-E729 PolarHBondContact O-N 2.8Å; E729-V731 HydrophobicContact CB-CG2 3.86Å; E729-V731 PolarHBondContact O-N 2.89Å |
| 730 | H | 55.3 | Low | 66.3 | Low | 186 Ų | 186 | 99 Ų | 99 | 86% | 0.861 | 50% | 0.498 | S | S | * | . | trans | 56.3 | 23.8 | -177.4 | -80.3 | -50.9 | 0 | 0 | 0 | 115.8 | ||||
| 731 | V | 56.3 | Low | 66.1 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | trans | -87.1 | 146.7 | -178.9 | -172 | 0 | 0 | 0 | 0 | 111.8 | E729 T733 | E729-V731 HydrophobicContact CB-CG2 3.86Å; E729-V731 PolarHBondContact O-N 2.89Å; V731-T733 HydrophobicContact CB-CG2 4.32Å; V731-T733 HydrophobicContact CG1-CG2 3.91Å; V731-T733 PolarHBondContact O-N 3.17Å | ||
| 732 | D | 57 | Low | 66.3 | Low | 164 Ų | 164 | 100.4 Ų | 100.4 | 88% | 0.877 | 50% | 0.497 | S | S | * | . | trans | -69.6 | 37.9 | 174.1 | -74.5 | -52 | 0 | 0 | 0 | 114.3 | L734 | D732-L734 PolarHBondContact O-N 2.77Š| ||
| 733 | T | 60.1 | Low | 66.6 | Low | 41 Ų | 41 | 101.8 Ų | 101.8 | 25% | 0.252 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 17.9 | 174.1 | 49 | 0 | 0 | 0 | 0 | 113.5 | V731 S735 E736 Y737 | V731-T733 HydrophobicContact CB-CG2 4.32Å; V731-T733 HydrophobicContact CG1-CG2 3.91Å; V731-T733 PolarHBondContact O-N 3.17Å; T733-S735 PolarHBondContact O-N 3.02Å; T733-E736 WeakPolarHBondContact CG2-OE2 3.48Å; T733-E736 PolarHBondContact O-N 3.09Å; T733-Y737 PolarHBondContact O-N 3.07Å |
| 734 | L | 64.9 | Low | 66.8 | Low | 95 Ų | 95 | 102.1 Ų | 102.1 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -52.8 | -32.2 | 176.9 | -175 | 66.1 | 0 | 0 | 0 | 112.5 | M726 D732 Q738 | M726-L734 HydrophobicContact CE-CD1 4.4Å; D732-L734 PolarHBondContact O-N 2.77Å; L734-Q738 WeakPolarHBondContact O-CB 3.47Å; L734-Q738 VanDerWaalsContact O-CG 3.24Å; L734-Q738 WeakPolarHBondContact O-CG 3.45Å; L734-Q738 PolarHBondContact O-N 3.11Å |
| 735 | S | 69.4 | Low | 66.9 | Low | 82 Ų | 82 | 100.9 Ų | 100.9 | 57% | 0.573 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.9 | -34.8 | 175.1 | -166.9 | 0 | 0 | 0 | 0 | 113.3 | T733 Q739 | T733-S735 PolarHBondContact O-N 3.02Å; S735-Q739 WeakPolarHBondContact O-CB 3.19Å; S735-Q739 PolarHBondContact O-N 3.39Å |
| 736 | E | 65.5 | Low | 67.4 | Low | 121 Ų | 121 | 102.2 Ų | 102.2 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.4 | -39.4 | 177.6 | -62.8 | -175.2 | 149.6 | 0 | 0 | 110.5 | T733 Q739 H740 | T733-E736 WeakPolarHBondContact CG2-OE2 3.48Å; T733-E736 PolarHBondContact O-N 3.09Å; E736-Q739 WeakPolarHBondContact O-CB 3.46Å; E736-Q739 PolarHBondContact O-N 2.65Å; E736-H740 WeakPolarHBondContact O-CB 3.31Å; E736-H740 PolarHBondContact O-N 3.37Å |
| 737 | Y | 67.1 | Low | 68.1 | Low | 83 Ų | 83 | 101.7 Ų | 101.7 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 171.6 | -174.5 | -101.1 | 0 | 0 | 0 | 112.2 | A723 M726 T733 Q739 H740 V741 | A723-Y737 HydrophobicContact CB-CE2 4.22Å; M726-Y737 HydrophobicContact CE-CG 4.31Å; M726-Y737 WeakPolarHBondContact SD-CB 3.17Å; M726-Y737 HydrophobicContact SD-CD1 4.29Å; M726-Y737 HydrophobicContact SD-CD2 3.57Å; M726-Y737 VanDerWaalsContact SD-CD2 3.57Å; M726-Y737 HydrophobicContact SD-CE2 4.4Å; M726-Y737 HydrophobicContact SD-CG 3.5Å; T733-Y737 PolarHBondContact O-N 3.07Å; Y737-Q739 VanDerWaalsContact C-N 3.34Å; Y737-Q739 PolarHBondContact O-N 3.24Å; Y737-H740 PolarHBondContact O-N 3.06Å; Y737-V741 HydrophobicContact CD1-CG2 4.15Å; Y737-V741 HydrophobicContact CE1-CG2 3.79Å; Y737-V741 HydrophobicContact CE2-CG2 4.42Å; Y737-V741 WeakPolarHBondContact O-CB 3.36Å; Y737-V741 WeakPolarHBondContact O-CG2 3.38Å; Y737-V741 PolarHBondContact O-N 2.93Å |
| 738 | Q | 71.6 | Confident | 68.4 | Low | 103 Ų | 103 | 96.1 Ų | 96.1 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 172 | -78.4 | 177 | -7 | 0 | 0 | 111.6 | L734 H740 V741 Y742 | L734-Q738 WeakPolarHBondContact O-CB 3.47Å; L734-Q738 VanDerWaalsContact O-CG 3.24Å; L734-Q738 WeakPolarHBondContact O-CG 3.45Å; L734-Q738 PolarHBondContact O-N 3.11Å; Q738-H740 PolarHBondContact O-N 2.86Å; Q738-V741 PolarHBondContact O-N 3.49Å; Q738-Y742 WeakPolarHBondContact O-CB 3.3Å; Q738-Y742 VanDerWaalsContact O-CD2 3.26Å; Q738-Y742 WeakPolarHBondContact O-CD2 3.5Å; Q738-Y742 PolarHBondContact O-N 3.39Å |
| 739 | Q | 73.3 | Confident | 69 | Low | 123 Ų | 123 | 93.1 Ų | 93.1 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.8 | -45.3 | 175.3 | -164.6 | 72.9 | 22.4 | 0 | 0 | 111.7 | S735 E736 Y737 Y742 E743 | S735-Q739 WeakPolarHBondContact O-CB 3.19Å; S735-Q739 PolarHBondContact O-N 3.39Å; E736-Q739 WeakPolarHBondContact O-CB 3.46Å; E736-Q739 PolarHBondContact O-N 2.65Å; Y737-Q739 VanDerWaalsContact C-N 3.34Å; Y737-Q739 PolarHBondContact O-N 3.24Å; Q739-Y742 PolarHBondContact O-N 3.34Å; Q739-E743 PolarHBondContact O-N 3.09Å |
| 740 | H | 69.1 | Low | 69.8 | Low | 61 Ų | 61 | 91.4 Ų | 91.4 | 28% | 0.282 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 177.2 | -106.9 | -83.7 | 0 | 0 | 0 | 113.1 | N719 L722 E736 Y737 Q738 L744 | N719-H740 PolarHBondContact ND2-O 3.44Å; N719-H740 VanDerWaalsContact ND2-O 3.15Å; N719-H740 PolarHBondContact OD1-ND1 2.98Å; L722-H740 HydrophobicContact CD2-CB 4.24Å; E736-H740 WeakPolarHBondContact O-CB 3.31Å; E736-H740 PolarHBondContact O-N 3.37Å; Y737-H740 PolarHBondContact O-N 3.06Å; Q738-H740 PolarHBondContact O-N 2.86Å; H740-L744 WeakPolarHBondContact O-CB 3.11Å; H740-L744 PolarHBondContact O-N 2.94Å |
| 741 | V | 72.1 | Confident | 70.5 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 29% | 0.291 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 172.5 | 169.1 | 0 | 0 | 0 | 0 | 111 | Y737 Q738 L744 I745 | Y737-V741 HydrophobicContact CD1-CG2 4.15Å; Y737-V741 HydrophobicContact CE1-CG2 3.79Å; Y737-V741 HydrophobicContact CE2-CG2 4.42Å; Y737-V741 WeakPolarHBondContact O-CB 3.36Å; Y737-V741 WeakPolarHBondContact O-CG2 3.38Å; Y737-V741 PolarHBondContact O-N 2.93Å; Q738-V741 PolarHBondContact O-N 3.49Å; V741-L744 PolarHBondContact O-N 3.33Å; V741-I745 HydrophobicContact CG1-CD1 3.8Å; V741-I745 HydrophobicContact CG1-CG1 4.43Å; V741-I745 WeakPolarHBondContact O-CB 3.24Å; V741-I745 VanDerWaalsContact O-CG1 3.28Å; V741-I745 WeakPolarHBondContact O-CG1 3.1Å; V741-I745 PolarHBondContact O-N 3.39Å |
| 742 | Y | 77.9 | Confident | 71.2 | Confident | 169 Ų | 169 | 83.2 Ų | 83.2 | 66% | 0.663 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 174.9 | -91.7 | -65.5 | 0 | 0 | 0 | 112.5 | Q738 Q739 I745 K746 | Q738-Y742 WeakPolarHBondContact O-CB 3.3Å; Q738-Y742 VanDerWaalsContact O-CD2 3.26Å; Q738-Y742 WeakPolarHBondContact O-CD2 3.5Å; Q738-Y742 PolarHBondContact O-N 3.39Å; Q739-Y742 PolarHBondContact O-N 3.34Å; Y742-I745 PolarHBondContact O-N 3.5Å; Y742-K746 VanDerWaalsContact O-CB 3.29Å; Y742-K746 WeakPolarHBondContact O-CB 3.41Å; Y742-K746 PolarHBondContact O-N 2.84Å |
| 743 | E | 75.4 | Confident | 72.2 | Confident | 76 Ų | 76 | 80.7 Ų | 80.7 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 174.7 | -83.1 | -64 | 161.6 | 0 | 0 | 112.5 | Q739 K746 L747 | Q739-E743 PolarHBondContact O-N 3.09Å; E743-K746 PolarHBondContact O-N 2.72Å; E743-K746 IonicContact OE1-NZ 3.41Å; E743-K746 PolarHBondContact OE1-NZ 2.84Å; E743-K746 IonicContact OE2-NZ 3.42Å; E743-K746 PolarHBondContact OE2-NZ 2.67Å; E743-L747 WeakPolarHBondContact O-CB 3.08Å; E743-L747 WeakPolarHBondContact O-CG 2.97Å; E743-L747 PolarHBondContact O-N 3.3Å |
| 744 | L | 72.9 | Confident | 72.9 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 19% | 0.194 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 175.9 | -146.8 | 159.7 | 0 | 0 | 0 | 112 | L712 I716 N719 H740 V741 S748 | L712-L744 HydrophobicContact CD1-CD2 4.05Å; I716-L744 HydrophobicContact CG1-CD1 3.88Å; I716-L744 HydrophobicContact CG1-CD2 4.19Å; I716-L744 HydrophobicContact CG1-CG 4.49Å; N719-L744 HydrophobicContact CB-CD1 4.03Å; N719-L744 WeakPolarHBondContact ND2-CD1 3.31Å; H740-L744 WeakPolarHBondContact O-CB 3.11Å; H740-L744 PolarHBondContact O-N 2.94Å; V741-L744 PolarHBondContact O-N 3.33Å; L744-S748 VanDerWaalsContact O-CB 3.24Å; L744-S748 WeakPolarHBondContact O-CB 3.06Å; L744-S748 PolarHBondContact O-N 3.49Å |
| 745 | I | 75.8 | Confident | 73.1 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 44% | 0.436 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 169.8 | -70.7 | 167.6 | 0 | 0 | 0 | 110.9 | V741 Y742 S748 N749 | V741-I745 HydrophobicContact CG1-CD1 3.8Å; V741-I745 HydrophobicContact CG1-CG1 4.43Å; V741-I745 WeakPolarHBondContact O-CB 3.24Å; V741-I745 VanDerWaalsContact O-CG1 3.28Å; V741-I745 WeakPolarHBondContact O-CG1 3.1Å; V741-I745 PolarHBondContact O-N 3.39Å; Y742-I745 PolarHBondContact O-N 3.5Å; I745-S748 PolarHBondContact O-N 3.33Å; I745-N749 WeakPolarHBondContact O-CB 3.39Å; I745-N749 PolarHBondContact O-N 3.29Å; I745-N749 PolarHBondContact O-ND2 3.45Å |
| 746 | K | 79 | Confident | 73.3 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 177.2 | 169 | 166.3 | 151.2 | -87.8 | 0 | 111.8 | Y742 E743 S748 N749 E750 | Y742-K746 VanDerWaalsContact O-CB 3.29Å; Y742-K746 WeakPolarHBondContact O-CB 3.41Å; Y742-K746 PolarHBondContact O-N 2.84Å; E743-K746 PolarHBondContact O-N 2.72Å; E743-K746 IonicContact OE1-NZ 3.41Å; E743-K746 PolarHBondContact OE1-NZ 2.84Å; E743-K746 IonicContact OE2-NZ 3.42Å; E743-K746 PolarHBondContact OE2-NZ 2.67Å; K746-S748 VanDerWaalsContact C-N 3.32Å; K746-S748 PolarHBondContact O-N 2.72Å; K746-N749 PolarHBondContact O-N 2.86Å; K746-E750 VanDerWaalsContact CE-OE1 3.25Å; K746-E750 WeakPolarHBondContact CE-OE1 3.35Å; K746-E750 WeakPolarHBondContact CG-OE1 3.38Å; K746-E750 WeakPolarHBondContact O-CB 3.41Å; K746-E750 WeakPolarHBondContact O-CG 3.49Å; K746-E750 PolarHBondContact O-N 2.96Å |
| 747 | L | 75.5 | Confident | 73.8 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 174.9 | -71 | 168.6 | 0 | 0 | 0 | 112.2 | L712 E743 E750 A751 | L712-L747 HydrophobicContact CD1-CB 4.29Å; E743-L747 WeakPolarHBondContact O-CB 3.08Å; E743-L747 WeakPolarHBondContact O-CG 2.97Å; E743-L747 PolarHBondContact O-N 3.3Å; L747-E750 PolarHBondContact O-N 2.65Å; L747-A751 WeakPolarHBondContact O-CB 3.18Å; L747-A751 PolarHBondContact O-N 2.65Å |
| 748 | S | 72.8 | Confident | 73.8 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 174.4 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | L744 I745 K746 A751 C752 | L744-S748 VanDerWaalsContact O-CB 3.24Å; L744-S748 WeakPolarHBondContact O-CB 3.06Å; L744-S748 PolarHBondContact O-N 3.49Å; I745-S748 PolarHBondContact O-N 3.33Å; K746-S748 VanDerWaalsContact C-N 3.32Å; K746-S748 PolarHBondContact O-N 2.72Å; S748-A751 PolarHBondContact O-N 2.9Å; S748-C752 WeakPolarHBondContact O-CB 3.49Å; S748-C752 PolarHBondContact O-N 3.01Å; S748-C752 PolarHBondContact O-SG 2.88Å |
| 749 | N | 78 | Confident | 73.5 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 176.9 | -71.8 | -21.6 | 0 | 0 | 0 | 112.3 | I745 K746 C752 E753 | I745-N749 WeakPolarHBondContact O-CB 3.39Å; I745-N749 PolarHBondContact O-N 3.29Å; I745-N749 PolarHBondContact O-ND2 3.45Å; K746-N749 PolarHBondContact O-N 2.86Å; N749-C752 PolarHBondContact O-N 3.43Å; N749-E753 WeakPolarHBondContact O-CB 3.39Å; N749-E753 PolarHBondContact O-N 2.9Å |
| 750 | E | 77.3 | Confident | 73.5 | Confident | 96 Ų | 96 | 78.6 Ų | 78.6 | 45% | 0.449 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 174.2 | -74.5 | 174.2 | -165.5 | 0 | 0 | 111.2 | K746 L747 E753 L754 | K746-E750 VanDerWaalsContact CE-OE1 3.25Å; K746-E750 WeakPolarHBondContact CE-OE1 3.35Å; K746-E750 WeakPolarHBondContact CG-OE1 3.38Å; K746-E750 WeakPolarHBondContact O-CB 3.41Å; K746-E750 WeakPolarHBondContact O-CG 3.49Å; K746-E750 PolarHBondContact O-N 2.96Å; L747-E750 PolarHBondContact O-N 2.65Å; E750-E753 PolarHBondContact O-N 3.22Å; E750-L754 WeakPolarHBondContact O-CB 3.03Å; E750-L754 WeakPolarHBondContact O-CG 3.07Å; E750-L754 PolarHBondContact O-N 2.77Å |
| 751 | A | 69.4 | Low | 73.4 | Confident | 26 Ų | 26 | 82 Ų | 82 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | L747 S748 L754 L755 | L747-A751 WeakPolarHBondContact O-CB 3.18Å; L747-A751 PolarHBondContact O-N 2.65Å; S748-A751 PolarHBondContact O-N 2.9Å; A751-L754 PolarHBondContact O-N 3.14Å; A751-L755 WeakPolarHBondContact O-CG 3.44Å; A751-L755 PolarHBondContact O-N 3.4Å |
| 752 | C | 71.9 | Confident | 73 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 45% | 0.446 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.3 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | S748 N749 L755 L756 | S748-C752 WeakPolarHBondContact O-CB 3.49Å; S748-C752 PolarHBondContact O-N 3.01Å; S748-C752 PolarHBondContact O-SG 2.88Å; N749-C752 PolarHBondContact O-N 3.43Å; C752-L755 PolarHBondContact O-N 2.82Å; C752-L756 WeakPolarHBondContact O-CB 3.44Å; C752-L756 PolarHBondContact O-N 3.24Å |
| 753 | E | 76.9 | Confident | 72.6 | Confident | 112 Ų | 112 | 78 Ų | 78 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 175.3 | -98.6 | -153.5 | -153.4 | 0 | 0 | 112.4 | N749 E750 L756 K757 | N749-E753 WeakPolarHBondContact O-CB 3.39Å; N749-E753 PolarHBondContact O-N 2.9Å; E750-E753 PolarHBondContact O-N 3.22Å; E753-L756 PolarHBondContact O-N 3.43Å; E753-K757 WeakPolarHBondContact O-CB 3.49Å; E753-K757 WeakPolarHBondContact O-CG 3.47Å; E753-K757 PolarHBondContact O-N 3.18Å; E753-K757 IonicContact OE2-NZ 3.88Å; E753-K757 PolarHBondContact OE2-NZ 3.43Å |
| 754 | L | 74.5 | Confident | 72.4 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 41% | 0.414 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 175.9 | -78.2 | 168.6 | 0 | 0 | 0 | 111.7 | L708 E750 A751 K757 Q758 | L708-L754 HydrophobicContact CD1-CD1 3.64Å; E750-L754 WeakPolarHBondContact O-CB 3.03Å; E750-L754 WeakPolarHBondContact O-CG 3.07Å; E750-L754 PolarHBondContact O-N 2.77Å; A751-L754 PolarHBondContact O-N 3.14Å; L754-K757 PolarHBondContact O-N 3.35Å; L754-Q758 WeakPolarHBondContact O-CB 3.3Å; L754-Q758 VanDerWaalsContact O-CG 3.3Å; L754-Q758 WeakPolarHBondContact O-CG 3.48Å; L754-Q758 PolarHBondContact O-N 2.79Å |
| 755 | L | 69.3 | Low | 72 | Confident | 88 Ų | 88 | 82.4 Ų | 82.4 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 173.7 | -72.5 | 170.4 | 0 | 0 | 0 | 111.9 | I705 A751 C752 Q758 S759 | I705-L755 HydrophobicContact CD1-CD2 3.83Å; I705-L755 HydrophobicContact CG1-CD2 4.13Å; A751-L755 WeakPolarHBondContact O-CG 3.44Å; A751-L755 PolarHBondContact O-N 3.4Å; C752-L755 PolarHBondContact O-N 2.82Å; L755-Q758 PolarHBondContact O-N 3.29Å; L755-S759 WeakPolarHBondContact O-CB 3.33Å; L755-S759 PolarHBondContact O-N 2.93Å; L755-S759 PolarHBondContact O-OG 3.43Å |
| 756 | L | 74.7 | Confident | 71.4 | Confident | 105 Ų | 105 | 82.4 Ų | 82.4 | 55% | 0.55 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 174.3 | -90.5 | 162.6 | 0 | 0 | 0 | 111.5 | C752 E753 Q758 S759 E760 | C752-L756 WeakPolarHBondContact O-CB 3.44Å; C752-L756 PolarHBondContact O-N 3.24Å; E753-L756 PolarHBondContact O-N 3.43Å; L756-Q758 VanDerWaalsContact C-N 3.31Å; L756-Q758 PolarHBondContact O-N 3.4Å; L756-S759 PolarHBondContact O-N 2.82Å; L756-S759 PolarHBondContact O-OG 3.44Å; L756-E760 PolarHBondContact O-N 2.99Å |
| 757 | K | 75.5 | Confident | 71 | Confident | 109 Ų | 109 | 82.2 Ų | 82.2 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | 178.1 | -76.7 | 164.6 | 176.2 | 161.6 | 0 | 112.7 | E753 L754 Q761 | E753-K757 WeakPolarHBondContact O-CB 3.49Å; E753-K757 WeakPolarHBondContact O-CG 3.47Å; E753-K757 PolarHBondContact O-N 3.18Å; E753-K757 IonicContact OE2-NZ 3.88Å; E753-K757 PolarHBondContact OE2-NZ 3.43Å; L754-K757 PolarHBondContact O-N 3.35Å; K757-Q761 WeakPolarHBondContact O-CB 3.3Å; K757-Q761 WeakPolarHBondContact O-CG 3.37Å; K757-Q761 PolarHBondContact O-N 3.12Å |
| 758 | Q | 66.2 | Low | 70.7 | Confident | 40 Ų | 40 | 83.4 Ų | 83.4 | 19% | 0.187 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 173 | -76.1 | 178.3 | -19.9 | 0 | 0 | 112 | L754 L755 L756 Q761 L762 | L754-Q758 WeakPolarHBondContact O-CB 3.3Å; L754-Q758 VanDerWaalsContact O-CG 3.3Å; L754-Q758 WeakPolarHBondContact O-CG 3.48Å; L754-Q758 PolarHBondContact O-N 2.79Å; L755-Q758 PolarHBondContact O-N 3.29Å; L756-Q758 VanDerWaalsContact C-N 3.31Å; L756-Q758 PolarHBondContact O-N 3.4Å; Q758-Q761 PolarHBondContact O-N 3.13Å; Q758-L762 WeakPolarHBondContact O-CB 3.46Å; Q758-L762 WeakPolarHBondContact O-CG 3.43Å; Q758-L762 PolarHBondContact O-N 3.02Å |
| 759 | S | 66 | Low | 70.3 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 43% | 0.427 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.2 | 76.4 | 0 | 0 | 0 | 0 | 112.6 | L755 L756 L762 S763 | L755-S759 WeakPolarHBondContact O-CB 3.33Å; L755-S759 PolarHBondContact O-N 2.93Å; L755-S759 PolarHBondContact O-OG 3.43Å; L756-S759 PolarHBondContact O-N 2.82Å; L756-S759 PolarHBondContact O-OG 3.44Å; S759-L762 PolarHBondContact O-N 3.16Å; S759-S763 WeakPolarHBondContact O-CB 3.3Å; S759-S763 PolarHBondContact O-N 3Å |
| 760 | E | 73.3 | Confident | 69.9 | Low | 121 Ų | 121 | 86.6 Ų | 86.6 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.9 | -39.5 | 173.3 | -71 | -173.3 | 154.1 | 0 | 0 | 111.5 | L756 S763 N764 | L756-E760 PolarHBondContact O-N 2.99Å; E760-S763 PolarHBondContact O-N 3.16Å; E760-N764 WeakPolarHBondContact O-CB 3.47Å; E760-N764 PolarHBondContact O-N 3.06Å; E760-N764 PolarHBondContact O-ND2 3.3Å |
| 761 | Q | 68.1 | Low | 69.5 | Low | 134 Ų | 134 | 86.6 Ų | 86.6 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | 173.6 | -79 | -171.6 | -27.1 | 0 | 0 | 112.3 | K757 Q758 N764 K765 | K757-Q761 WeakPolarHBondContact O-CB 3.3Å; K757-Q761 WeakPolarHBondContact O-CG 3.37Å; K757-Q761 PolarHBondContact O-N 3.12Å; Q758-Q761 PolarHBondContact O-N 3.13Å; Q761-N764 PolarHBondContact O-N 3.39Å; Q761-K765 WeakPolarHBondContact O-CB 3.48Å; Q761-K765 WeakPolarHBondContact O-CG 3.35Å; Q761-K765 PolarHBondContact O-N 2.81Å |
| 762 | L | 62.4 | Low | 69.3 | Low | 70 Ų | 70 | 89.1 Ų | 89.1 | 37% | 0.366 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 173.6 | -83.9 | 161.9 | 0 | 0 | 0 | 111.3 | L698 Q758 S759 N764 K765 L766 | L698-L762 HydrophobicContact CD1-CD2 4.38Å; L698-L762 HydrophobicContact CD2-CD1 4.32Å; L698-L762 HydrophobicContact CD2-CD2 4.17Å; L698-L762 HydrophobicContact CG-CD2 4.3Å; Q758-L762 WeakPolarHBondContact O-CB 3.46Å; Q758-L762 WeakPolarHBondContact O-CG 3.43Å; Q758-L762 PolarHBondContact O-N 3.02Å; S759-L762 PolarHBondContact O-N 3.16Å; L762-N764 PolarHBondContact O-N 3.14Å; L762-K765 CarbonylContact O-C 3.58Å; L762-K765 PolarHBondContact O-N 3.45Å; L762-L766 WeakPolarHBondContact O-CB 3.3Å; L762-L766 PolarHBondContact O-N 3.37Å |
| 763 | S | 69.8 | Low | 69 | Low | 62 Ų | 62 | 90.6 Ų | 90.6 | 43% | 0.434 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | S759 E760 K765 L766 N767 | S759-S763 WeakPolarHBondContact O-CB 3.3Å; S759-S763 PolarHBondContact O-N 3Å; E760-S763 PolarHBondContact O-N 3.16Å; S763-K765 VanDerWaalsContact C-N 3.29Å; S763-K765 PolarHBondContact O-N 3.19Å; S763-L766 PolarHBondContact O-N 3.19Å; S763-N767 PolarHBondContact O-N 2.95Å |
| 764 | N | 71.1 | Confident | 68.6 | Low | 112 Ų | 112 | 90.1 Ų | 90.1 | 60% | 0.599 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.2 | -23 | 177.3 | -74.6 | -59.6 | 0 | 0 | 0 | 113.6 | E760 Q761 L762 P768 | E760-N764 WeakPolarHBondContact O-CB 3.47Å; E760-N764 PolarHBondContact O-N 3.06Å; E760-N764 PolarHBondContact O-ND2 3.3Å; Q761-N764 PolarHBondContact O-N 3.39Å; L762-N764 PolarHBondContact O-N 3.14Å; N764-P768 WeakPolarHBondContact O-CD 3.37Å |
| 765 | K | 64.8 | Low | 68.3 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -87.5 | -26.7 | 171.5 | -74.4 | -167 | 175 | -161.8 | 0 | 113.8 | E697 Q761 L762 S763 | E697-K765 IonicContact OE1-NZ 2.58Å; E697-K765 PolarHBondContact OE1-NZ 2.87Å; E697-K765 IonicContact OE2-NZ 3.78Å; E697-K765 PolarHBondContact OE2-NZ 2.69Å; Q761-K765 WeakPolarHBondContact O-CB 3.48Å; Q761-K765 WeakPolarHBondContact O-CG 3.35Å; Q761-K765 PolarHBondContact O-N 2.81Å; L762-K765 CarbonylContact O-C 3.58Å; L762-K765 PolarHBondContact O-N 3.45Å; S763-K765 VanDerWaalsContact C-N 3.29Å; S763-K765 PolarHBondContact O-N 3.19Å |
| 766 | L | 64 | Low | 67.9 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 45% | 0.445 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -75.9 | -36.9 | 173.5 | -106.4 | 73.5 | 0 | 0 | 0 | 112.6 | L762 S763 I769 W770 | L762-L766 WeakPolarHBondContact O-CB 3.3Å; L762-L766 PolarHBondContact O-N 3.37Å; S763-L766 PolarHBondContact O-N 3.19Å; L766-I769 CarbonylContact O-C 3.57Å; L766-I769 WeakPolarHBondContact O-CA 3.49Å; L766-I769 WeakPolarHBondContact O-CB 3.47Å; L766-I769 PolarHBondContact O-N 3.01Å; L766-W770 PolarHBondContact O-N 3.07Å |
| 767 | N | 69.6 | Low | 67.2 | Low | 83 Ų | 83 | 88.1 Ų | 88.1 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.9 | -42.5 | -178.2 | -86.3 | -16.1 | 0 | 0 | 0 | 114.3 | S763 I769 W770 N771 | S763-N767 PolarHBondContact O-N 2.95Å; N767-I769 VanDerWaalsContact C-N 3.34Å; N767-I769 PolarHBondContact O-N 3.35Å; N767-W770 PolarHBondContact O-N 2.89Å; N767-N771 WeakPolarHBondContact O-CB 3.36Å; N767-N771 VanDerWaalsContact O-CG 3.27Å; N767-N771 PolarHBondContact O-N 3.26Å; N767-N771 PolarHBondContact O-ND2 2.88Å |
| 768 | P | 69.1 | Low | 66.7 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 170.5 | -27 | 35.2 | 0 | 0 | 0 | 113.4 | N764 N771 I772 | N764-P768 WeakPolarHBondContact O-CD 3.37Å; P768-N771 PolarHBondContact O-N 3.15Å; P768-I772 WeakPolarHBondContact O-CB 3.21Å; P768-I772 WeakPolarHBondContact O-CD1 3.37Å; P768-I772 VanDerWaalsContact O-CG1 3.23Å; P768-I772 WeakPolarHBondContact O-CG1 3.49Å; P768-I772 PolarHBondContact O-N 3.27Å |
| 769 | I | 64.9 | Low | 66.5 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | -179.1 | -56.4 | 171 | 0 | 0 | 0 | 110.6 | I694 L766 N767 I772 L773 | I694-I769 HydrophobicContact CD1-CD1 3.56Å; L766-I769 CarbonylContact O-C 3.57Å; L766-I769 WeakPolarHBondContact O-CA 3.49Å; L766-I769 WeakPolarHBondContact O-CB 3.47Å; L766-I769 PolarHBondContact O-N 3.01Å; N767-I769 VanDerWaalsContact C-N 3.34Å; N767-I769 PolarHBondContact O-N 3.35Å; I769-I772 PolarHBondContact O-N 3.34Å; I769-L773 HydrophobicContact CG2-CD1 4.26Å; I769-L773 WeakPolarHBondContact O-CB 3.43Å; I769-L773 PolarHBondContact O-N 2.7Å |
| 770 | W | 68.6 | Low | 66.2 | Low | 158 Ų | 158 | 94.8 Ų | 94.8 | 60% | 0.598 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 172.9 | -113.8 | 122.6 | 0 | 0 | 0 | 111.6 | L766 N767 I772 L773 E774 | L766-W770 PolarHBondContact O-N 3.07Å; N767-W770 PolarHBondContact O-N 2.89Å; W770-I772 VanDerWaalsContact C-N 3.29Å; W770-I772 PolarHBondContact O-N 2.79Å; W770-L773 HydrophobicContact CE3-CB 4.35Å; W770-L773 PolarHBondContact O-N 3.5Å; W770-E774 WeakPolarHBondContact O-CB 3.29Å; W770-E774 PolarHBondContact O-N 2.81Å |
| 771 | N | 70.2 | Confident | 65.5 | Low | 96 Ų | 96 | 91.7 Ų | 91.7 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 175.1 | -72.1 | -28.9 | 0 | 0 | 0 | 112.2 | N767 P768 T775 | N767-N771 WeakPolarHBondContact O-CB 3.36Å; N767-N771 VanDerWaalsContact O-CG 3.27Å; N767-N771 PolarHBondContact O-N 3.26Å; N767-N771 PolarHBondContact O-ND2 2.88Å; P768-N771 PolarHBondContact O-N 3.15Å; N771-T775 VanDerWaalsContact O-CB 3.24Å; N771-T775 WeakPolarHBondContact O-CB 3.38Å; N771-T775 PolarHBondContact O-N 3.29Å; N771-T775 PolarHBondContact O-OG1 2.87Å |
| 772 | I | 64.9 | Low | 65.2 | Low | 79 Ų | 79 | 90.2 Ų | 90.2 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 175.2 | -71.9 | 164.2 | 0 | 0 | 0 | 110.6 | P768 I769 W770 T775 A776 | P768-I772 WeakPolarHBondContact O-CB 3.21Å; P768-I772 WeakPolarHBondContact O-CD1 3.37Å; P768-I772 VanDerWaalsContact O-CG1 3.23Å; P768-I772 WeakPolarHBondContact O-CG1 3.49Å; P768-I772 PolarHBondContact O-N 3.27Å; I769-I772 PolarHBondContact O-N 3.34Å; W770-I772 VanDerWaalsContact C-N 3.29Å; W770-I772 PolarHBondContact O-N 2.79Å; I772-T775 PolarHBondContact O-N 3.43Å; I772-A776 VanDerWaalsContact O-CB 3.27Å; I772-A776 WeakPolarHBondContact O-CB 3.48Å; I772-A776 PolarHBondContact O-N 2.85Å |
| 773 | L | 64.5 | Low | 64.9 | Low | 98 Ų | 98 | 90.2 Ų | 90.2 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 173.5 | -87 | 162.3 | 0 | 0 | 0 | 111.5 | I769 W770 T775 A776 D777 | I769-L773 HydrophobicContact CG2-CD1 4.26Å; I769-L773 WeakPolarHBondContact O-CB 3.43Å; I769-L773 PolarHBondContact O-N 2.7Å; W770-L773 HydrophobicContact CE3-CB 4.35Å; W770-L773 PolarHBondContact O-N 3.5Å; L773-T775 VanDerWaalsContact C-N 3.3Å; L773-T775 PolarHBondContact O-N 2.82Å; L773-A776 CarbonylContact O-C 3.56Å; L773-A776 WeakPolarHBondContact O-CB 3.27Å; L773-A776 PolarHBondContact O-N 2.81Å; L773-A776 VanDerWaalsContact O-N 3.08Å; L773-D777 WeakPolarHBondContact O-CB 3.28Å; L773-D777 PolarHBondContact O-N 2.85Å |
| 774 | E | 68.4 | Low | 64.2 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 178.7 | -166.1 | 179.1 | 169.7 | 0 | 0 | 111.6 | W770 Q778 | W770-E774 WeakPolarHBondContact O-CB 3.29Å; W770-E774 PolarHBondContact O-N 2.81Å; E774-Q778 WeakPolarHBondContact O-CB 3.32Å; E774-Q778 WeakPolarHBondContact O-CG 3.36Å; E774-Q778 PolarHBondContact O-N 3.46Å |
| 775 | T | 68.8 | Low | 63.8 | Low | 74 Ų | 74 | 90.1 Ų | 90.1 | 45% | 0.454 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.6 | -34 | 172.6 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | N771 I772 L773 R779 | N771-T775 VanDerWaalsContact O-CB 3.24Å; N771-T775 WeakPolarHBondContact O-CB 3.38Å; N771-T775 PolarHBondContact O-N 3.29Å; N771-T775 PolarHBondContact O-OG1 2.87Å; I772-T775 PolarHBondContact O-N 3.43Å; L773-T775 VanDerWaalsContact C-N 3.3Å; L773-T775 PolarHBondContact O-N 2.82Å; T775-R779 VanDerWaalsContact O-CB 3.3Å; T775-R779 WeakPolarHBondContact O-CB 3.29Å; T775-R779 VanDerWaalsContact O-CG 3.26Å; T775-R779 WeakPolarHBondContact O-CG 3.32Å; T775-R779 PolarHBondContact O-N 3.34Å |
| 776 | A | 60.2 | Low | 63.6 | Low | 43 Ų | 43 | 90.1 Ų | 90.1 | 36% | 0.355 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.8 | -38.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I772 L773 R779 L780 | I772-A776 VanDerWaalsContact O-CB 3.27Å; I772-A776 WeakPolarHBondContact O-CB 3.48Å; I772-A776 PolarHBondContact O-N 2.85Å; L773-A776 CarbonylContact O-C 3.56Å; L773-A776 WeakPolarHBondContact O-CB 3.27Å; L773-A776 PolarHBondContact O-N 2.81Å; L773-A776 VanDerWaalsContact O-N 3.08Å; A776-R779 CarbonylContact O-C 3.57Å; A776-R779 WeakPolarHBondContact O-CB 3.29Å; A776-R779 PolarHBondContact O-N 2.77Å; A776-L780 WeakPolarHBondContact O-CB 3.5Å; A776-L780 WeakPolarHBondContact O-CG 3.22Å; A776-L780 PolarHBondContact O-N 2.63Å |
| 777 | D | 61.1 | Low | 63.3 | Low | 112 Ų | 112 | 89.9 Ų | 89.9 | 60% | 0.599 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.4 | -43.3 | 178.1 | -154 | 41.4 | 0 | 0 | 0 | 111.1 | L773 R779 L780 A781 | L773-D777 WeakPolarHBondContact O-CB 3.28Å; L773-D777 PolarHBondContact O-N 2.85Å; D777-R779 VanDerWaalsContact C-N 3.27Å; D777-R779 PolarHBondContact O-N 3.24Å; D777-L780 PolarHBondContact O-N 3.35Å; D777-L780 VanDerWaalsContact O-N 3.15Å; D777-A781 WeakPolarHBondContact O-CB 3.47Å; D777-A781 PolarHBondContact O-N 2.91Å |
| 778 | Q | 65.7 | Low | 62.5 | Low | 117 Ų | 117 | 90.4 Ų | 90.4 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 168.5 | -72.6 | 172.9 | 20.4 | 0 | 0 | 112.2 | E774 L782 | E774-Q778 WeakPolarHBondContact O-CB 3.32Å; E774-Q778 WeakPolarHBondContact O-CG 3.36Å; E774-Q778 PolarHBondContact O-N 3.46Å; Q778-L782 WeakPolarHBondContact O-CB 3.24Å; Q778-L782 PolarHBondContact O-N 2.97Å |
| 779 | R | 60.5 | Low | 62.3 | Low | 144 Ų | 144 | 90.2 Ų | 90.2 | 54% | 0.543 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 172.9 | -85.5 | 174.7 | 151.3 | -167.7 | -3 | 112.6 | T775 A776 D777 L782 I783 | T775-R779 VanDerWaalsContact O-CB 3.3Å; T775-R779 WeakPolarHBondContact O-CB 3.29Å; T775-R779 VanDerWaalsContact O-CG 3.26Å; T775-R779 WeakPolarHBondContact O-CG 3.32Å; T775-R779 PolarHBondContact O-N 3.34Å; A776-R779 CarbonylContact O-C 3.57Å; A776-R779 WeakPolarHBondContact O-CB 3.29Å; A776-R779 PolarHBondContact O-N 2.77Å; D777-R779 VanDerWaalsContact C-N 3.27Å; D777-R779 PolarHBondContact O-N 3.24Å; R779-L782 PolarHBondContact O-N 2.98Å; R779-I783 VanDerWaalsContact O-CB 3.28Å; R779-I783 WeakPolarHBondContact O-CB 3.43Å; R779-I783 WeakPolarHBondContact O-CD1 3.29Å; R779-I783 WeakPolarHBondContact O-CG1 3.28Å; R779-I783 PolarHBondContact O-N 2.85Å |
| 780 | L | 59.8 | Low | 62.1 | Low | 89 Ų | 89 | 91.9 Ų | 91.9 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.5 | -81.7 | 163.6 | 0 | 0 | 0 | 111 | A776 D777 L782 I783 N784 | A776-L780 WeakPolarHBondContact O-CB 3.5Å; A776-L780 WeakPolarHBondContact O-CG 3.22Å; A776-L780 PolarHBondContact O-N 2.63Å; D777-L780 PolarHBondContact O-N 3.35Å; D777-L780 VanDerWaalsContact O-N 3.15Å; L780-L782 PolarHBondContact O-N 3.02Å; L780-I783 PolarHBondContact O-N 3.46Å; L780-N784 VanDerWaalsContact O-CB 3.3Å; L780-N784 WeakPolarHBondContact O-CB 3.25Å; L780-N784 VanDerWaalsContact O-CG 3.24Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-OD1 2.92Å |
| 781 | A | 58.8 | Low | 61.6 | Low | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D777 T785 | D777-A781 WeakPolarHBondContact O-CB 3.47Å; D777-A781 PolarHBondContact O-N 2.91Å; A781-T785 WeakPolarHBondContact O-CB 3.11Å; A781-T785 WeakPolarHBondContact O-CG2 3.37Å; A781-T785 PolarHBondContact O-N 3.49Å; A781-T785 PolarHBondContact O-OG1 3.35Å |
| 782 | L | 61.1 | Low | 61.4 | Low | 103 Ų | 103 | 88.1 Ų | 88.1 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.4 | -33.8 | 176.4 | -165.2 | 70.2 | 0 | 0 | 0 | 112.4 | Q778 R779 L780 T785 N786 | Q778-L782 WeakPolarHBondContact O-CB 3.24Å; Q778-L782 PolarHBondContact O-N 2.97Å; R779-L782 PolarHBondContact O-N 2.98Å; L780-L782 PolarHBondContact O-N 3.02Å; L782-T785 WeakPolarHBondContact CA-OG1 3.37Å; L782-T785 PolarHBondContact O-OG1 3.11Å; L782-N786 PolarHBondContact O-N 2.89Å; L782-N786 PolarHBondContact O-ND2 3.15Å |
| 783 | I | 56.1 | Low | 61.5 | Low | 70 Ų | 70 | 88.6 Ų | 88.6 | 36% | 0.359 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.8 | -48.9 | 175 | -75.7 | 165.7 | 0 | 0 | 0 | 109.9 | R779 L780 T785 N786 I787 | R779-I783 VanDerWaalsContact O-CB 3.28Å; R779-I783 WeakPolarHBondContact O-CB 3.43Å; R779-I783 WeakPolarHBondContact O-CD1 3.29Å; R779-I783 WeakPolarHBondContact O-CG1 3.28Å; R779-I783 PolarHBondContact O-N 2.85Å; L780-I783 PolarHBondContact O-N 3.46Å; I783-T785 PolarHBondContact O-N 3.34Å; I783-N786 PolarHBondContact O-N 2.82Å; I783-I787 HydrophobicContact CG2-CD1 3.51Å; I783-I787 HydrophobicContact CG2-CG1 4.19Å; I783-I787 WeakPolarHBondContact O-CB 3.48Å; I783-I787 WeakPolarHBondContact O-CG1 3.49Å; I783-I787 PolarHBondContact O-N 3.2Å |
| 784 | N | 55.7 | Low | 61.4 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 179.1 | -72.5 | -0.7 | 0 | 0 | 0 | 111.4 | L780 N786 I787 D788 | L780-N784 VanDerWaalsContact O-CB 3.3Å; L780-N784 WeakPolarHBondContact O-CB 3.25Å; L780-N784 VanDerWaalsContact O-CG 3.24Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-OD1 2.92Å; N784-N786 VanDerWaalsContact C-N 3.32Å; N784-N786 PolarHBondContact O-N 2.91Å; N784-I787 CarbonylContact O-C 3.5Å; N784-I787 PolarHBondContact O-N 2.86Å; N784-D788 WeakPolarHBondContact O-CB 3.32Å; N784-D788 VanDerWaalsContact O-CG 3.32Å; N784-D788 PolarHBondContact O-N 3.41Å |
| 785 | T | 62.4 | Low | 61.1 | Low | 86 Ų | 86 | 85 Ų | 85 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 176.8 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | A781 L782 I783 S789 | A781-T785 WeakPolarHBondContact O-CB 3.11Å; A781-T785 WeakPolarHBondContact O-CG2 3.37Å; A781-T785 PolarHBondContact O-N 3.49Å; A781-T785 PolarHBondContact O-OG1 3.35Å; L782-T785 WeakPolarHBondContact CA-OG1 3.37Å; L782-T785 PolarHBondContact O-OG1 3.11Å; I783-T785 PolarHBondContact O-N 3.34Å; T785-S789 PolarHBondContact O-N 3.05Å |
| 786 | N | 61.7 | Low | 61 | Low | 94 Ų | 94 | 88 Ų | 88 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.1 | -43 | 171.5 | -81.6 | -80.5 | 0 | 0 | 0 | 111.8 | L782 I783 N784 S789 V790 | L782-N786 PolarHBondContact O-N 2.89Å; L782-N786 PolarHBondContact O-ND2 3.15Å; I783-N786 PolarHBondContact O-N 2.82Å; N784-N786 VanDerWaalsContact C-N 3.32Å; N784-N786 PolarHBondContact O-N 2.91Å; N786-S789 PolarHBondContact O-N 3.15Å; N786-S789 PolarHBondContact O-OG 3.47Å; N786-V790 WeakPolarHBondContact O-CG2 3.32Å; N786-V790 PolarHBondContact O-N 3.18Å |
| 787 | I | 57.5 | Low | 61.3 | Low | 80 Ų | 80 | 93 Ų | 93 | 41% | 0.41 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 176.8 | -74.9 | 178 | 0 | 0 | 0 | 110.5 | I783 N784 S789 V790 L791 | I783-I787 HydrophobicContact CG2-CD1 3.51Å; I783-I787 HydrophobicContact CG2-CG1 4.19Å; I783-I787 WeakPolarHBondContact O-CB 3.48Å; I783-I787 WeakPolarHBondContact O-CG1 3.49Å; I783-I787 PolarHBondContact O-N 3.2Å; N784-I787 CarbonylContact O-C 3.5Å; N784-I787 PolarHBondContact O-N 2.86Å; I787-S789 VanDerWaalsContact C-N 3.3Å; I787-S789 PolarHBondContact O-N 3.42Å; I787-V790 CarbonylContact O-C 3.52Å; I787-V790 PolarHBondContact O-N 3.09Å; I787-V790 VanDerWaalsContact O-N 3.1Å; I787-L791 HydrophobicContact CG2-CD1 3.58Å; I787-L791 HydrophobicContact CG2-CG 3.92Å; I787-L791 WeakPolarHBondContact O-CB 3.32Å; I787-L791 WeakPolarHBondContact O-CG 3.35Å; I787-L791 PolarHBondContact O-N 2.77Å |
| 788 | D | 52.7 | Low | 61.5 | Low | 93 Ų | 93 | 94.1 Ų | 94.1 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 174.8 | -75.2 | -25.9 | 0 | 0 | 0 | 111.4 | N784 V790 L791 V792 | N784-D788 WeakPolarHBondContact O-CB 3.32Å; N784-D788 VanDerWaalsContact O-CG 3.32Å; N784-D788 PolarHBondContact O-N 3.41Å; D788-V790 VanDerWaalsContact C-N 3.33Å; D788-V790 PolarHBondContact O-N 2.84Å; D788-L791 PolarHBondContact O-N 3.05Å; D788-V792 WeakPolarHBondContact O-CB 3.38Å; D788-V792 VanDerWaalsContact O-CG2 3.26Å; D788-V792 WeakPolarHBondContact O-CG2 3.41Å; D788-V792 PolarHBondContact O-N 3.48Å |
| 789 | S | 63.6 | Low | 61.5 | Low | 63 Ų | 63 | 95 Ų | 95 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.9 | 81.8 | 0 | 0 | 0 | 0 | 112.3 | T785 N786 I787 V793 | T785-S789 PolarHBondContact O-N 3.05Å; N786-S789 PolarHBondContact O-N 3.15Å; N786-S789 PolarHBondContact O-OG 3.47Å; I787-S789 VanDerWaalsContact C-N 3.3Å; I787-S789 PolarHBondContact O-N 3.42Å; S789-V793 WeakPolarHBondContact O-CG2 3.44Å; S789-V793 PolarHBondContact O-N 3.25Å |
| 790 | V | 60.9 | Low | 61.8 | Low | 87 Ų | 87 | 92.5 Ų | 92.5 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.3 | -39.6 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | N786 I787 D788 V793 T794 | N786-V790 WeakPolarHBondContact O-CG2 3.32Å; N786-V790 PolarHBondContact O-N 3.18Å; I787-V790 CarbonylContact O-C 3.52Å; I787-V790 PolarHBondContact O-N 3.09Å; I787-V790 VanDerWaalsContact O-N 3.1Å; D788-V790 VanDerWaalsContact C-N 3.33Å; D788-V790 PolarHBondContact O-N 2.84Å; V790-V793 PolarHBondContact O-N 3.06Å; V790-T794 WeakPolarHBondContact O-CB 3.45Å; V790-T794 PolarHBondContact O-N 2.93Å; V790-T794 PolarHBondContact O-OG1 2.98Å |
| 791 | L | 58.9 | Low | 62.3 | Low | 88 Ų | 88 | 94.2 Ų | 94.2 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 176.3 | -73.6 | 178.2 | 0 | 0 | 0 | 110.7 | I787 D788 V793 T794 C795 | I787-L791 HydrophobicContact CG2-CD1 3.58Å; I787-L791 HydrophobicContact CG2-CG 3.92Å; I787-L791 WeakPolarHBondContact O-CB 3.32Å; I787-L791 WeakPolarHBondContact O-CG 3.35Å; I787-L791 PolarHBondContact O-N 2.77Å; D788-L791 PolarHBondContact O-N 3.05Å; L791-V793 VanDerWaalsContact C-N 3.34Å; L791-V793 PolarHBondContact O-N 3.16Å; L791-T794 PolarHBondContact O-N 3.01Å; L791-C795 WeakPolarHBondContact O-CA 3.41Å; L791-C795 WeakPolarHBondContact O-CB 3.22Å; L791-C795 PolarHBondContact O-N 3.21Å; L791-C795 PolarHBondContact O-SG 3.06Å |
| 792 | V | 66.7 | Low | 62.6 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 175.5 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | D788 K796 | D788-V792 WeakPolarHBondContact O-CB 3.38Å; D788-V792 VanDerWaalsContact O-CG2 3.26Å; D788-V792 WeakPolarHBondContact O-CG2 3.41Å; D788-V792 PolarHBondContact O-N 3.48Å; V792-K796 WeakPolarHBondContact O-CB 3.42Å; V792-K796 VanDerWaalsContact O-CG 3.32Å; V792-K796 WeakPolarHBondContact O-CG 3.29Å; V792-K796 PolarHBondContact O-N 2.72Å; V792-K796 VanDerWaalsContact O-N 3.08Å |
| 793 | V | 66 | Low | 63.1 | Low | 90 Ų | 90 | 92.4 Ų | 92.4 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 174.3 | 171 | 0 | 0 | 0 | 0 | 111.5 | S789 V790 L791 K796 R797 | S789-V793 WeakPolarHBondContact O-CG2 3.44Å; S789-V793 PolarHBondContact O-N 3.25Å; V790-V793 PolarHBondContact O-N 3.06Å; L791-V793 VanDerWaalsContact C-N 3.34Å; L791-V793 PolarHBondContact O-N 3.16Å; V793-K796 PolarHBondContact O-N 2.75Å; V793-R797 PolarHBondContact O-N 2.98Å |
| 794 | T | 63.5 | Low | 64 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 32% | 0.319 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.5 | -42.6 | -178 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | V790 L791 R797 F798 | V790-T794 WeakPolarHBondContact O-CB 3.45Å; V790-T794 PolarHBondContact O-N 2.93Å; V790-T794 PolarHBondContact O-OG1 2.98Å; L791-T794 PolarHBondContact O-N 3.01Å; T794-R797 PolarHBondContact O-N 2.92Å; T794-F798 HydrophobicContact CG2-CD2 3.67Å; T794-F798 HydrophobicContact CG2-CE2 3.45Å; T794-F798 VanDerWaalsContact CG2-CE2 3.45Å; T794-F798 HydrophobicContact CG2-CZ 4.37Å; T794-F798 WeakPolarHBondContact O-CD2 3.36Å; T794-F798 PolarHBondContact O-N 3.14Å |
| 795 | C | 62.1 | Low | 64.6 | Low | 71 Ų | 71 | 91 Ų | 91 | 48% | 0.48 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 171.7 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | L791 F798 Q799 | L791-C795 WeakPolarHBondContact O-CA 3.41Å; L791-C795 WeakPolarHBondContact O-CB 3.22Å; L791-C795 PolarHBondContact O-N 3.21Å; L791-C795 PolarHBondContact O-SG 3.06Å; C795-F798 PolarHBondContact O-N 2.77Å; C795-Q799 VanDerWaalsContact O-CB 3.23Å; C795-Q799 WeakPolarHBondContact O-CB 3.47Å; C795-Q799 PolarHBondContact O-N 2.92Å |
| 796 | K | 66.6 | Low | 64.9 | Low | 138 Ų | 138 | 92.6 Ų | 92.6 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 171 | -81.9 | -177.1 | 176.1 | -173.7 | 0 | 112.1 | V792 V793 Q799 T800 | V792-K796 WeakPolarHBondContact O-CB 3.42Å; V792-K796 VanDerWaalsContact O-CG 3.32Å; V792-K796 WeakPolarHBondContact O-CG 3.29Å; V792-K796 PolarHBondContact O-N 2.72Å; V792-K796 VanDerWaalsContact O-N 3.08Å; V793-K796 PolarHBondContact O-N 2.75Å; K796-Q799 PolarHBondContact O-N 2.96Å; K796-T800 PolarHBondContact O-N 3.04Å; K796-T800 PolarHBondContact O-OG1 3.33Å |
| 797 | R | 66.4 | Low | 65.4 | Low | 147 Ų | 147 | 93.4 Ų | 93.4 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 174.2 | -71.6 | -175.3 | 70.9 | 170.9 | 0.8 | 112 | V793 T794 Q799 T800 Y801 | V793-R797 PolarHBondContact O-N 2.98Å; T794-R797 PolarHBondContact O-N 2.92Å; R797-Q799 VanDerWaalsContact C-N 3.3Å; R797-Q799 PolarHBondContact O-N 3.28Å; R797-T800 PolarHBondContact O-N 3.16Å; R797-Y801 HydrophobicContact CB-CD2 4.39Å; R797-Y801 HydrophobicContact CB-CE2 4.09Å; R797-Y801 PolarHBondContact NH2-OH 2.68Å; R797-Y801 WeakPolarHBondContact O-CD2 3.38Å; R797-Y801 PolarHBondContact O-N 2.66Å |
| 798 | F | 64.6 | Low | 66.1 | Low | 137 Ų | 137 | 94.6 Ų | 94.6 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -35.3 | 174.9 | -79.6 | -51.3 | 0 | 0 | 0 | 112.6 | T794 C795 Y801 A802 | T794-F798 HydrophobicContact CG2-CD2 3.67Å; T794-F798 HydrophobicContact CG2-CE2 3.45Å; T794-F798 VanDerWaalsContact CG2-CE2 3.45Å; T794-F798 HydrophobicContact CG2-CZ 4.37Å; T794-F798 WeakPolarHBondContact O-CD2 3.36Å; T794-F798 PolarHBondContact O-N 3.14Å; C795-F798 PolarHBondContact O-N 2.77Å; F798-Y801 PolarHBondContact O-N 3.19Å; F798-A802 WeakPolarHBondContact O-CB 3.39Å; F798-A802 PolarHBondContact O-N 3.49Å |
| 799 | Q | 66.7 | Low | 66.9 | Low | 136 Ų | 136 | 95.7 Ų | 95.7 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.4 | -38.1 | 175.9 | -166.6 | 166.2 | 17.8 | 0 | 0 | 111.5 | C795 K796 R797 A802 T803 | C795-Q799 VanDerWaalsContact O-CB 3.23Å; C795-Q799 WeakPolarHBondContact O-CB 3.47Å; C795-Q799 PolarHBondContact O-N 2.92Å; K796-Q799 PolarHBondContact O-N 2.96Å; R797-Q799 VanDerWaalsContact C-N 3.3Å; R797-Q799 PolarHBondContact O-N 3.28Å; Q799-A802 PolarHBondContact O-N 2.85Å; Q799-T803 PolarHBondContact O-N 3.27Å; Q799-T803 PolarHBondContact O-OG1 3.36Å |
| 800 | T | 66.8 | Low | 67.3 | Low | 91 Ų | 91 | 97.3 Ų | 97.3 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 169.2 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | K796 R797 A802 T803 S804 | K796-T800 PolarHBondContact O-N 3.04Å; K796-T800 PolarHBondContact O-OG1 3.33Å; R797-T800 PolarHBondContact O-N 3.16Å; T800-A802 VanDerWaalsContact C-N 3.31Å; T800-A802 PolarHBondContact O-N 3.36Å; T800-T803 PolarHBondContact O-N 3.1Å; T800-S804 PolarHBondContact O-N 3.38Å; T800-S804 PolarHBondContact O-OG 3.35Å |
| 801 | Y | 68.8 | Low | 68 | Low | 124 Ų | 124 | 97.9 Ų | 97.9 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 176.6 | -66.9 | -49.6 | 0 | 0 | 0 | 112.4 | R797 F798 S804 V805 | R797-Y801 HydrophobicContact CB-CD2 4.39Å; R797-Y801 HydrophobicContact CB-CE2 4.09Å; R797-Y801 PolarHBondContact NH2-OH 2.68Å; R797-Y801 WeakPolarHBondContact O-CD2 3.38Å; R797-Y801 PolarHBondContact O-N 2.66Å; F798-Y801 PolarHBondContact O-N 3.19Å; Y801-S804 PolarHBondContact O-N 2.95Å; Y801-V805 WeakPolarHBondContact O-CB 3.3Å; Y801-V805 VanDerWaalsContact O-CG2 3.27Å; Y801-V805 WeakPolarHBondContact O-CG2 3.45Å; Y801-V805 PolarHBondContact O-N 3.22Å |
| 802 | A | 65.6 | Low | 68.5 | Low | 55 Ų | 55 | 97.9 Ų | 97.9 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | F798 Q799 T800 S804 V805 E806 | F798-A802 WeakPolarHBondContact O-CB 3.39Å; F798-A802 PolarHBondContact O-N 3.49Å; Q799-A802 PolarHBondContact O-N 2.85Å; T800-A802 VanDerWaalsContact C-N 3.31Å; T800-A802 PolarHBondContact O-N 3.36Å; A802-S804 VanDerWaalsContact C-N 3.33Å; A802-S804 PolarHBondContact O-N 3.47Å; A802-V805 PolarHBondContact O-N 3.33Å; A802-E806 VanDerWaalsContact O-CB 3.27Å; A802-E806 WeakPolarHBondContact O-CB 3.3Å; A802-E806 PolarHBondContact O-N 3.04Å |
| 803 | T | 72.5 | Confident | 68.6 | Low | 67 Ų | 67 | 98 Ų | 98 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 175.3 | -56 | 0 | 0 | 0 | 0 | 112 | Q799 T800 E806 Q807 | Q799-T803 PolarHBondContact O-N 3.27Å; Q799-T803 PolarHBondContact O-OG1 3.36Å; T800-T803 PolarHBondContact O-N 3.1Å; T803-E806 PolarHBondContact O-N 2.97Å; T803-Q807 WeakPolarHBondContact O-CG 3.35Å; T803-Q807 PolarHBondContact O-N 3.29Å |
| 804 | S | 73.7 | Confident | 69 | Low | 52 Ų | 52 | 98.6 Ų | 98.6 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 173.4 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | T800 Y801 A802 Q807 L808 | T800-S804 PolarHBondContact O-N 3.38Å; T800-S804 PolarHBondContact O-OG 3.35Å; Y801-S804 PolarHBondContact O-N 2.95Å; A802-S804 VanDerWaalsContact C-N 3.33Å; A802-S804 PolarHBondContact O-N 3.47Å; S804-Q807 PolarHBondContact O-N 2.91Å; S804-L808 WeakPolarHBondContact O-CB 3.16Å; S804-L808 VanDerWaalsContact O-CG 3.29Å; S804-L808 WeakPolarHBondContact O-CG 3.1Å; S804-L808 PolarHBondContact O-N 3.01Å |
| 805 | V | 69.2 | Low | 69.4 | Low | 75 Ų | 75 | 101.5 Ų | 101.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 173.7 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | Y801 A802 L808 Q809 | Y801-V805 WeakPolarHBondContact O-CB 3.3Å; Y801-V805 VanDerWaalsContact O-CG2 3.27Å; Y801-V805 WeakPolarHBondContact O-CG2 3.45Å; Y801-V805 PolarHBondContact O-N 3.22Å; A802-V805 PolarHBondContact O-N 3.33Å; V805-L808 PolarHBondContact O-N 3.12Å; V805-Q809 HydrophobicContact CG1-CG 4.29Å; V805-Q809 VanDerWaalsContact O-CB 3.26Å; V805-Q809 WeakPolarHBondContact O-CB 2.89Å; V805-Q809 WeakPolarHBondContact O-CG 3.43Å; V805-Q809 PolarHBondContact O-N 2.92Å |
| 806 | E | 69.5 | Low | 69.8 | Low | 119 Ų | 119 | 103.9 Ų | 103.9 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.5 | -37.9 | 176.7 | -168.9 | 170.1 | -137.1 | 0 | 0 | 111.4 | A802 T803 Q809 N810 | A802-E806 VanDerWaalsContact O-CB 3.27Å; A802-E806 WeakPolarHBondContact O-CB 3.3Å; A802-E806 PolarHBondContact O-N 3.04Å; T803-E806 PolarHBondContact O-N 2.97Å; E806-Q809 PolarHBondContact O-N 3.41Å; E806-N810 PolarHBondContact O-N 3.03Å; E806-N810 PolarHBondContact O-ND2 3.32Å |
| 807 | Q | 71.4 | Confident | 70 | Confident | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -51.8 | 168 | -74.6 | -175.2 | -92 | 0 | 0 | 111.7 | T803 S804 Q809 N810 E811 | T803-Q807 WeakPolarHBondContact O-CG 3.35Å; T803-Q807 PolarHBondContact O-N 3.29Å; S804-Q807 PolarHBondContact O-N 2.91Å; Q807-Q809 PolarHBondContact O-N 2.67Å; Q807-N810 WeakPolarHBondContact O-CB 3.33Å; Q807-N810 PolarHBondContact O-N 3.25Å; Q807-E811 PolarHBondContact O-N 2.98Å |
| 808 | L | 72.1 | Confident | 70.2 | Confident | 106 Ų | 106 | 97.2 Ų | 97.2 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -30.8 | 178 | -72.1 | 169.1 | 0 | 0 | 0 | 112.6 | S804 V805 L812 | S804-L808 WeakPolarHBondContact O-CB 3.16Å; S804-L808 VanDerWaalsContact O-CG 3.29Å; S804-L808 WeakPolarHBondContact O-CG 3.1Å; S804-L808 PolarHBondContact O-N 3.01Å; V805-L808 PolarHBondContact O-N 3.12Å; L808-L812 WeakPolarHBondContact O-CB 3.45Å; L808-L812 PolarHBondContact O-N 2.7Å |
| 809 | Q | 68.8 | Low | 70.3 | Confident | 115 Ų | 115 | 96.5 Ų | 96.5 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.7 | -37.4 | 173.2 | -80.2 | 175.5 | -31.8 | 0 | 0 | 112.1 | V805 E806 Q807 T813 | V805-Q809 HydrophobicContact CG1-CG 4.29Å; V805-Q809 VanDerWaalsContact O-CB 3.26Å; V805-Q809 WeakPolarHBondContact O-CB 2.89Å; V805-Q809 WeakPolarHBondContact O-CG 3.43Å; V805-Q809 PolarHBondContact O-N 2.92Å; E806-Q809 PolarHBondContact O-N 3.41Å; Q807-Q809 PolarHBondContact O-N 2.67Å; Q809-T813 VanDerWaalsContact O-CB 3.29Å; Q809-T813 WeakPolarHBondContact O-CB 3.19Å; Q809-T813 PolarHBondContact O-N 3.05Å; Q809-T813 PolarHBondContact O-OG1 2.61Å |
| 810 | N | 73.6 | Confident | 70.5 | Confident | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 172.2 | -75.2 | -50.5 | 0 | 0 | 0 | 111.2 | E806 Q807 L812 T813 I814 | E806-N810 PolarHBondContact O-N 3.03Å; E806-N810 PolarHBondContact O-ND2 3.32Å; Q807-N810 WeakPolarHBondContact O-CB 3.33Å; Q807-N810 PolarHBondContact O-N 3.25Å; N810-L812 PolarHBondContact O-N 3.43Å; N810-T813 WeakPolarHBondContact O-CB 2.82Å; N810-T813 PolarHBondContact O-N 2.73Å; N810-T813 VanDerWaalsContact O-N 3.07Å; N810-I814 WeakPolarHBondContact O-CG1 3.44Å; N810-I814 PolarHBondContact O-N 3.03Å |
| 811 | E | 73.9 | Confident | 70.8 | Confident | 99 Ų | 99 | 93.1 Ų | 93.1 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.5 | -71.8 | 170.7 | -164.7 | 0 | 0 | 111.9 | Q807 T813 I814 L815 | Q807-E811 PolarHBondContact O-N 2.98Å; E811-T813 VanDerWaalsContact C-N 3.26Å; E811-T813 PolarHBondContact O-N 2.77Å; E811-I814 PolarHBondContact O-N 2.98Å; E811-L815 WeakPolarHBondContact O-CB 3.17Å; E811-L815 WeakPolarHBondContact O-CG 3.35Å; E811-L815 PolarHBondContact O-N 3.39Å |
| 812 | L | 69.5 | Low | 70.9 | Confident | 88 Ų | 88 | 95.8 Ų | 95.8 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 173.8 | -171.4 | 73.7 | 0 | 0 | 0 | 112.4 | L808 N810 K816 | L808-L812 WeakPolarHBondContact O-CB 3.45Å; L808-L812 PolarHBondContact O-N 2.7Å; N810-L812 PolarHBondContact O-N 3.43Å; L812-K816 HydrophobicContact CG-CD 4.42Å; L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.33Å; L812-K816 WeakPolarHBondContact O-CD 2.71Å; L812-K816 WeakPolarHBondContact O-CG 2.93Å; L812-K816 PolarHBondContact O-N 3.36Å |
| 813 | T | 69.5 | Low | 71.4 | Confident | 89 Ų | 89 | 97.4 Ų | 97.4 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.4 | -39.2 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | Q809 N810 E811 K816 S817 | Q809-T813 VanDerWaalsContact O-CB 3.29Å; Q809-T813 WeakPolarHBondContact O-CB 3.19Å; Q809-T813 PolarHBondContact O-N 3.05Å; Q809-T813 PolarHBondContact O-OG1 2.61Å; N810-T813 WeakPolarHBondContact O-CB 2.82Å; N810-T813 PolarHBondContact O-N 2.73Å; N810-T813 VanDerWaalsContact O-N 3.07Å; E811-T813 VanDerWaalsContact C-N 3.26Å; E811-T813 PolarHBondContact O-N 2.77Å; T813-K816 PolarHBondContact O-N 2.79Å; T813-S817 PolarHBondContact O-N 2.75Å |
| 814 | I | 75.2 | Confident | 71.4 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -52.1 | 170.5 | -65.9 | 164.3 | 0 | 0 | 0 | 109.6 | N810 E811 K816 S817 D818 | N810-I814 WeakPolarHBondContact O-CG1 3.44Å; N810-I814 PolarHBondContact O-N 3.03Å; E811-I814 PolarHBondContact O-N 2.98Å; I814-K816 VanDerWaalsContact C-N 3.25Å; I814-K816 PolarHBondContact O-N 2.78Å; I814-S817 CarbonylContact O-C 3.59Å; I814-S817 WeakPolarHBondContact O-CA 2.99Å; I814-S817 VanDerWaalsContact O-CB 3.3Å; I814-S817 WeakPolarHBondContact O-CB 3.01Å; I814-S817 PolarHBondContact O-N 2.88Å; I814-D818 PolarHBondContact O-N 3.24Å |
| 815 | L | 71.8 | Confident | 71.4 | Confident | 112 Ų | 112 | 99.3 Ų | 99.3 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.8 | -33.6 | 176.8 | -79.4 | 167 | 0 | 0 | 0 | 113 | E811 L819 | E811-L815 WeakPolarHBondContact O-CB 3.17Å; E811-L815 WeakPolarHBondContact O-CG 3.35Å; E811-L815 PolarHBondContact O-N 3.39Å; L815-L819 VanDerWaalsContact O-CB 3.25Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3.47Å |
| 816 | K | 70.5 | Confident | 71.5 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 53% | 0.53 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 171.3 | -81.1 | 171 | 179.7 | 175.8 | 0 | 112.5 | L812 T813 I814 D818 L819 V820 | L812-K816 HydrophobicContact CG-CD 4.42Å; L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.33Å; L812-K816 WeakPolarHBondContact O-CD 2.71Å; L812-K816 WeakPolarHBondContact O-CG 2.93Å; L812-K816 PolarHBondContact O-N 3.36Å; T813-K816 PolarHBondContact O-N 2.79Å; I814-K816 VanDerWaalsContact C-N 3.25Å; I814-K816 PolarHBondContact O-N 2.78Å; K816-D818 VanDerWaalsContact C-N 3.35Å; K816-L819 PolarHBondContact O-N 3.16Å; K816-V820 WeakPolarHBondContact O-CB 3.47Å; K816-V820 VanDerWaalsContact O-CG2 3.27Å; K816-V820 WeakPolarHBondContact O-CG2 3.32Å; K816-V820 PolarHBondContact O-N 3.43Å |
| 817 | S | 70.5 | Confident | 71.7 | Confident | 68 Ų | 68 | 96.9 Ų | 96.9 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 173.4 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | T813 I814 V820 T821 | T813-S817 PolarHBondContact O-N 2.75Å; I814-S817 CarbonylContact O-C 3.59Å; I814-S817 WeakPolarHBondContact O-CA 2.99Å; I814-S817 VanDerWaalsContact O-CB 3.3Å; I814-S817 WeakPolarHBondContact O-CB 3.01Å; I814-S817 PolarHBondContact O-N 2.88Å; S817-V820 PolarHBondContact O-N 3.26Å; S817-T821 WeakPolarHBondContact O-CB 3.1Å; S817-T821 WeakPolarHBondContact O-CG2 2.94Å; S817-T821 PolarHBondContact O-N 2.88Å; S817-T821 PolarHBondContact O-OG1 2.88Å |
| 818 | D | 69.4 | Low | 71.8 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -34.3 | 176.7 | -67.6 | -7.4 | 0 | 0 | 0 | 112.1 | I814 K816 T821 R822 | I814-D818 PolarHBondContact O-N 3.24Å; K816-D818 VanDerWaalsContact C-N 3.35Å; D818-T821 WeakPolarHBondContact CA-OG1 3.26Å; D818-T821 PolarHBondContact O-OG1 3.03Å; D818-R822 VanDerWaalsContact O-CB 3.25Å; D818-R822 WeakPolarHBondContact O-CB 3.39Å; D818-R822 VanDerWaalsContact O-CG 3.32Å; D818-R822 WeakPolarHBondContact O-CG 3.47Å; D818-R822 PolarHBondContact O-N 3.04Å |
| 819 | L | 68.2 | Low | 72 | Confident | 122 Ų | 122 | 96.2 Ų | 96.2 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.9 | -38.5 | 174.7 | -160.8 | 77.4 | 0 | 0 | 0 | 111.9 | L815 K816 N823 | L815-L819 VanDerWaalsContact O-CB 3.25Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3.47Å; K816-L819 PolarHBondContact O-N 3.16Å; L819-N823 WeakPolarHBondContact O-CB 2.89Å; L819-N823 PolarHBondContact O-N 3Å |
| 820 | V | 70.6 | Confident | 72.2 | Confident | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -50.5 | 174 | 167.5 | 0 | 0 | 0 | 0 | 110.2 | K816 S817 R822 N823 D824 | K816-V820 WeakPolarHBondContact O-CB 3.47Å; K816-V820 VanDerWaalsContact O-CG2 3.27Å; K816-V820 WeakPolarHBondContact O-CG2 3.32Å; K816-V820 PolarHBondContact O-N 3.43Å; S817-V820 PolarHBondContact O-N 3.26Å; V820-R822 VanDerWaalsContact C-N 3.34Å; V820-R822 PolarHBondContact O-N 2.71Å; V820-N823 CarbonylContact O-C 3.57Å; V820-N823 WeakPolarHBondContact O-CA 3.46Å; V820-N823 WeakPolarHBondContact O-CB 3.43Å; V820-N823 PolarHBondContact O-N 3.44Å; V820-D824 VanDerWaalsContact O-CG 3.25Å; V820-D824 PolarHBondContact O-N 3.05Å |
| 821 | T | 72.5 | Confident | 72.5 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 178 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | S817 D818 D824 V825 | S817-T821 WeakPolarHBondContact O-CB 3.1Å; S817-T821 WeakPolarHBondContact O-CG2 2.94Å; S817-T821 PolarHBondContact O-N 2.88Å; S817-T821 PolarHBondContact O-OG1 2.88Å; D818-T821 WeakPolarHBondContact CA-OG1 3.26Å; D818-T821 PolarHBondContact O-OG1 3.03Å; T821-D824 PolarHBondContact O-N 3.44Å; T821-V825 WeakPolarHBondContact O-CB 3.17Å; T821-V825 VanDerWaalsContact O-CG2 3.32Å; T821-V825 WeakPolarHBondContact O-CG2 3.4Å; T821-V825 PolarHBondContact O-N 2.82Å |
| 822 | R | 71 | Confident | 72.5 | Confident | 180 Ų | 180 | 95.9 Ų | 95.9 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 168.6 | -83.3 | 179.4 | 167.2 | 154.8 | -0.7 | 112.9 | D818 V820 D824 V825 V826 | D818-R822 VanDerWaalsContact O-CB 3.25Å; D818-R822 WeakPolarHBondContact O-CB 3.39Å; D818-R822 VanDerWaalsContact O-CG 3.32Å; D818-R822 WeakPolarHBondContact O-CG 3.47Å; D818-R822 PolarHBondContact O-N 3.04Å; V820-R822 VanDerWaalsContact C-N 3.34Å; V820-R822 PolarHBondContact O-N 2.71Å; R822-D824 VanDerWaalsContact C-N 3.33Å; R822-V825 PolarHBondContact O-N 2.79Å; R822-V826 WeakPolarHBondContact O-CB 3.06Å; R822-V826 VanDerWaalsContact O-CG2 3.29Å; R822-V826 WeakPolarHBondContact O-CG2 3.14Å; R822-V826 PolarHBondContact O-N 3.36Å |
| 823 | N | 75.2 | Confident | 72.7 | Confident | 88 Ų | 88 | 97.2 Ų | 97.2 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 177.1 | -179.1 | 86.1 | 0 | 0 | 0 | 111 | L819 V820 V826 N827 | L819-N823 WeakPolarHBondContact O-CB 2.89Å; L819-N823 PolarHBondContact O-N 3Å; V820-N823 CarbonylContact O-C 3.57Å; V820-N823 WeakPolarHBondContact O-CA 3.46Å; V820-N823 WeakPolarHBondContact O-CB 3.43Å; V820-N823 PolarHBondContact O-N 3.44Å; N823-V826 CarbonylContact O-C 3.6Å; N823-V826 PolarHBondContact O-N 2.76Å; N823-N827 PolarHBondContact ND2-ND2 3.29Å; N823-N827 VanDerWaalsContact ND2-ND2 3.1Å; N823-N827 PolarHBondContact O-N 3.04Å; N823-N827 PolarHBondContact O-ND2 3.42Å |
| 824 | D | 72.6 | Confident | 72.9 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.9 | -64.4 | -19.8 | 0 | 0 | 0 | 111.3 | V820 T821 R822 V826 N827 D828 | V820-D824 VanDerWaalsContact O-CG 3.25Å; V820-D824 PolarHBondContact O-N 3.05Å; T821-D824 PolarHBondContact O-N 3.44Å; R822-D824 VanDerWaalsContact C-N 3.33Å; D824-V826 VanDerWaalsContact C-N 3.32Å; D824-V826 PolarHBondContact O-N 3.41Å; D824-N827 WeakPolarHBondContact O-CB 3.42Å; D824-N827 PolarHBondContact O-N 2.75Å; D824-N827 VanDerWaalsContact O-N 3.12Å; D824-D828 PolarHBondContact O-N 2.86Å |
| 825 | V | 75.2 | Confident | 73 | Confident | 83 Ų | 83 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 171.5 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | T821 R822 D828 L829 | T821-V825 WeakPolarHBondContact O-CB 3.17Å; T821-V825 VanDerWaalsContact O-CG2 3.32Å; T821-V825 WeakPolarHBondContact O-CG2 3.4Å; T821-V825 PolarHBondContact O-N 2.82Å; R822-V825 PolarHBondContact O-N 2.79Å; V825-D828 PolarHBondContact O-N 3.35Å; V825-L829 HydrophobicContact CG1-CD1 4.04Å; V825-L829 WeakPolarHBondContact O-CB 3.33Å; V825-L829 VanDerWaalsContact O-CG 3.25Å; V825-L829 WeakPolarHBondContact O-CG 3.45Å; V825-L829 PolarHBondContact O-N 2.94Å |
| 826 | V | 71.5 | Confident | 73.2 | Confident | 74 Ų | 74 | 99.4 Ų | 99.4 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 173.6 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | R822 N823 D824 N830 | R822-V826 WeakPolarHBondContact O-CB 3.06Å; R822-V826 VanDerWaalsContact O-CG2 3.29Å; R822-V826 WeakPolarHBondContact O-CG2 3.14Å; R822-V826 PolarHBondContact O-N 3.36Å; N823-V826 CarbonylContact O-C 3.6Å; N823-V826 PolarHBondContact O-N 2.76Å; D824-V826 VanDerWaalsContact C-N 3.32Å; D824-V826 PolarHBondContact O-N 3.41Å; V826-N830 VanDerWaalsContact O-CB 3.3Å; V826-N830 WeakPolarHBondContact O-CB 3.45Å; V826-N830 VanDerWaalsContact O-CG 3.24Å; V826-N830 PolarHBondContact O-N 3.41Å; V826-N830 PolarHBondContact O-ND2 3.31Å |
| 827 | N | 72.6 | Confident | 73.5 | Confident | 68 Ų | 68 | 98.1 Ų | 98.1 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69 | -42.1 | 173.5 | -66.9 | -36.9 | 0 | 0 | 0 | 111.6 | N823 D824 N830 M831 | N823-N827 PolarHBondContact ND2-ND2 3.29Å; N823-N827 VanDerWaalsContact ND2-ND2 3.1Å; N823-N827 PolarHBondContact O-N 3.04Å; N823-N827 PolarHBondContact O-ND2 3.42Å; D824-N827 WeakPolarHBondContact O-CB 3.42Å; D824-N827 PolarHBondContact O-N 2.75Å; D824-N827 VanDerWaalsContact O-N 3.12Å; N827-N830 PolarHBondContact O-N 2.92Å; N827-M831 WeakPolarHBondContact O-CB 3.49Å; N827-M831 WeakPolarHBondContact O-CG 3.38Å; N827-M831 PolarHBondContact O-N 2.98Å |
| 828 | D | 73.8 | Confident | 73.8 | Confident | 98 Ų | 98 | 99.2 Ų | 99.2 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.1 | -79.5 | -18.4 | 0 | 0 | 0 | 111.4 | D824 V825 M831 E832 | D824-D828 PolarHBondContact O-N 2.86Å; V825-D828 PolarHBondContact O-N 3.35Å; D828-M831 PolarHBondContact O-N 3.33Å; D828-M831 WeakPolarHBondContact OD1-CE 3.39Å; D828-E832 WeakPolarHBondContact O-CB 3.48Å; D828-E832 PolarHBondContact O-N 3.07Å |
| 829 | L | 76 | Confident | 74.1 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 174 | -74.8 | 169.6 | 0 | 0 | 0 | 112.4 | V825 E832 L833 | V825-L829 HydrophobicContact CG1-CD1 4.04Å; V825-L829 WeakPolarHBondContact O-CB 3.33Å; V825-L829 VanDerWaalsContact O-CG 3.25Å; V825-L829 WeakPolarHBondContact O-CG 3.45Å; V825-L829 PolarHBondContact O-N 2.94Å; L829-E832 PolarHBondContact O-N 3.36Å; L829-L833 VanDerWaalsContact O-CB 3.22Å; L829-L833 WeakPolarHBondContact O-CB 3.41Å; L829-L833 PolarHBondContact O-N 3.39Å |
| 830 | N | 73.2 | Confident | 74.4 | Confident | 90 Ų | 90 | 96.8 Ų | 96.8 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 174.5 | -79.4 | -30.6 | 0 | 0 | 0 | 111.8 | V826 N827 E832 L833 E834 | V826-N830 VanDerWaalsContact O-CB 3.3Å; V826-N830 WeakPolarHBondContact O-CB 3.45Å; V826-N830 VanDerWaalsContact O-CG 3.24Å; V826-N830 PolarHBondContact O-N 3.41Å; V826-N830 PolarHBondContact O-ND2 3.31Å; N827-N830 PolarHBondContact O-N 2.92Å; N830-E832 VanDerWaalsContact C-N 3.35Å; N830-L833 PolarHBondContact O-N 2.81Å; N830-E834 WeakPolarHBondContact O-CB 3.3Å; N830-E834 PolarHBondContact O-N 2.97Å |
| 831 | M | 79 | Confident | 74.8 | Confident | 108 Ų | 108 | 96 Ų | 96 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.4 | -75 | -172.2 | -65.8 | 0 | 0 | 111.8 | N827 D828 K835 | N827-M831 WeakPolarHBondContact O-CB 3.49Å; N827-M831 WeakPolarHBondContact O-CG 3.38Å; N827-M831 PolarHBondContact O-N 2.98Å; D828-M831 PolarHBondContact O-N 3.33Å; D828-M831 WeakPolarHBondContact OD1-CE 3.39Å; M831-K835 WeakPolarHBondContact O-CB 3.46Å; M831-K835 PolarHBondContact O-N 2.79Å |
| 832 | E | 74.9 | Confident | 75.1 | Confident | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 174.5 | -173.2 | 152.1 | -118.7 | 0 | 0 | 111.8 | D828 L829 N830 K836 | D828-E832 WeakPolarHBondContact O-CB 3.48Å; D828-E832 PolarHBondContact O-N 3.07Å; L829-E832 PolarHBondContact O-N 3.36Å; N830-E832 VanDerWaalsContact C-N 3.35Å; E832-K836 WeakPolarHBondContact O-CB 3.39Å; E832-K836 WeakPolarHBondContact O-CG 3.18Å; E832-K836 PolarHBondContact O-N 3.45Å |
| 833 | L | 74.4 | Confident | 75.4 | Confident | 116 Ų | 116 | 94.1 Ų | 94.1 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.3 | -40.7 | 175.9 | -168.4 | 150 | 0 | 0 | 0 | 112.3 | L829 N830 K836 Q837 | L829-L833 VanDerWaalsContact O-CB 3.22Å; L829-L833 WeakPolarHBondContact O-CB 3.41Å; L829-L833 PolarHBondContact O-N 3.39Å; N830-L833 PolarHBondContact O-N 2.81Å; L833-K836 PolarHBondContact O-N 2.9Å; L833-Q837 PolarHBondContact O-N 3.49Å |
| 834 | E | 73.1 | Confident | 75.4 | Confident | 137 Ų | 137 | 95.1 Ų | 95.1 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 173.1 | -174.5 | 171.3 | -138.8 | 0 | 0 | 110.7 | N830 K836 Q837 D838 | N830-E834 WeakPolarHBondContact O-CB 3.3Å; N830-E834 PolarHBondContact O-N 2.97Å; E834-K836 VanDerWaalsContact C-N 3.31Å; E834-K836 PolarHBondContact O-N 3.3Å; E834-Q837 WeakPolarHBondContact O-CB 3.17Å; E834-Q837 PolarHBondContact O-N 2.91Å; E834-Q837 VanDerWaalsContact O-N 3.16Å; E834-D838 PolarHBondContact O-N 2.83Å |
| 835 | K | 78.2 | Confident | 75.7 | Confident | 112 Ų | 112 | 96 Ų | 96 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 171.5 | 176.9 | -173.4 | 164.5 | -156.8 | 0 | 112.5 | M831 D838 E839 | M831-K835 WeakPolarHBondContact O-CB 3.46Å; M831-K835 PolarHBondContact O-N 2.79Å; K835-D838 PolarHBondContact O-N 2.85Å; K835-E839 WeakPolarHBondContact CE-OE1 3.29Å; K835-E839 WeakPolarHBondContact O-CG 3.4Å; K835-E839 PolarHBondContact O-N 3.44Å |
| 836 | K | 75.6 | Confident | 75.6 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 174.4 | -74.5 | -72.8 | 163.5 | -159.5 | 0 | 112 | E832 L833 E834 D838 E839 I840 | E832-K836 WeakPolarHBondContact O-CB 3.39Å; E832-K836 WeakPolarHBondContact O-CG 3.18Å; E832-K836 PolarHBondContact O-N 3.45Å; L833-K836 PolarHBondContact O-N 2.9Å; E834-K836 VanDerWaalsContact C-N 3.31Å; E834-K836 PolarHBondContact O-N 3.3Å; K836-D838 VanDerWaalsContact C-N 3.32Å; K836-E839 IonicContact NZ-OE1 2.66Å; K836-E839 IonicContact NZ-OE2 3.07Å; K836-E839 PolarHBondContact NZ-OE2 2.92Å; K836-E839 PolarHBondContact O-N 3.29Å; K836-I840 WeakPolarHBondContact O-CB 3.22Å; K836-I840 WeakPolarHBondContact O-CD1 3.38Å; K836-I840 VanDerWaalsContact O-CG1 3.27Å; K836-I840 WeakPolarHBondContact O-CG1 3.46Å; K836-I840 PolarHBondContact O-N 3.27Å |
| 837 | Q | 76.9 | Confident | 75.7 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 171.7 | -173.2 | 58.9 | 56.3 | 0 | 0 | 111 | L833 E834 I840 N841 | L833-Q837 PolarHBondContact O-N 3.49Å; E834-Q837 WeakPolarHBondContact O-CB 3.17Å; E834-Q837 PolarHBondContact O-N 2.91Å; E834-Q837 VanDerWaalsContact O-N 3.16Å; Q837-I840 CarbonylContact O-C 3.54Å; Q837-I840 WeakPolarHBondContact O-CB 3.27Å; Q837-I840 PolarHBondContact O-N 3.49Å; Q837-N841 PolarHBondContact NE2-OD1 2.86Å; Q837-N841 WeakPolarHBondContact O-CB 3.44Å; Q837-N841 PolarHBondContact O-N 3.23Å; Q837-N841 PolarHBondContact O-ND2 2.86Å; Q837-N841 PolarHBondContact O-OD1 3.39Å |
| 838 | D | 76.5 | Confident | 75.7 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 174.6 | -99.4 | -1.1 | 0 | 0 | 0 | 113.7 | E834 K835 K836 I840 N841 N842 | E834-D838 PolarHBondContact O-N 2.83Å; K835-D838 PolarHBondContact O-N 2.85Å; K836-D838 VanDerWaalsContact C-N 3.32Å; D838-I840 VanDerWaalsContact C-N 3.34Å; D838-N841 PolarHBondContact O-N 3.42Å; D838-N841 PolarHBondContact OD1-ND2 3.38Å; D838-N842 WeakPolarHBondContact O-CB 3.38Å; D838-N842 PolarHBondContact O-N 2.87Å; D838-N842 PolarHBondContact O-ND2 2.79Å |
| 839 | E | 75.2 | Confident | 75.7 | Confident | 75 Ų | 75 | 100 Ų | 100 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 169.2 | -74.6 | 173.5 | -163.7 | 0 | 0 | 110.6 | K835 K836 N842 L843 | K835-E839 WeakPolarHBondContact CE-OE1 3.29Å; K835-E839 WeakPolarHBondContact O-CG 3.4Å; K835-E839 PolarHBondContact O-N 3.44Å; K836-E839 IonicContact NZ-OE1 2.66Å; K836-E839 IonicContact NZ-OE2 3.07Å; K836-E839 PolarHBondContact NZ-OE2 2.92Å; K836-E839 PolarHBondContact O-N 3.29Å; E839-N842 PolarHBondContact O-N 2.87Å; E839-L843 VanDerWaalsContact O-CG 3.32Å; E839-L843 WeakPolarHBondContact O-CG 3.46Å; E839-L843 PolarHBondContact O-N 3.22Å |
| 840 | I | 75.5 | Confident | 75.4 | Confident | 73 Ų | 73 | 101.4 Ų | 101.4 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.1 | -70.9 | 164.3 | 0 | 0 | 0 | 112 | K836 Q837 D838 N842 L843 H844 | K836-I840 WeakPolarHBondContact O-CB 3.22Å; K836-I840 WeakPolarHBondContact O-CD1 3.38Å; K836-I840 VanDerWaalsContact O-CG1 3.27Å; K836-I840 WeakPolarHBondContact O-CG1 3.46Å; K836-I840 PolarHBondContact O-N 3.27Å; Q837-I840 CarbonylContact O-C 3.54Å; Q837-I840 WeakPolarHBondContact O-CB 3.27Å; Q837-I840 PolarHBondContact O-N 3.49Å; D838-I840 VanDerWaalsContact C-N 3.34Å; I840-N842 VanDerWaalsContact C-N 3.34Å; I840-N842 PolarHBondContact O-N 3.48Å; I840-L843 PolarHBondContact O-N 2.96Å; I840-H844 PolarHBondContact O-N 3.42Å; I840-H844 PolarHBondContact O-ND1 3.4Å |
| 841 | N | 77.8 | Confident | 75.3 | Confident | 64 Ų | 64 | 101 Ų | 101 | 34% | 0.342 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177 | -66 | -22.1 | 0 | 0 | 0 | 110.9 | Q837 D838 H844 L845 | Q837-N841 PolarHBondContact NE2-OD1 2.86Å; Q837-N841 WeakPolarHBondContact O-CB 3.44Å; Q837-N841 PolarHBondContact O-N 3.23Å; Q837-N841 PolarHBondContact O-ND2 2.86Å; Q837-N841 PolarHBondContact O-OD1 3.39Å; D838-N841 PolarHBondContact O-N 3.42Å; D838-N841 PolarHBondContact OD1-ND2 3.38Å; N841-H844 PolarHBondContact O-N 3.37Å; N841-L845 WeakPolarHBondContact O-CB 3.4Å; N841-L845 PolarHBondContact O-N 2.81Å |
| 842 | N | 79 | Confident | 74.9 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -33.2 | 175.7 | -81.8 | -77.9 | 0 | 0 | 0 | 113 | D838 E839 I840 T846 | D838-N842 WeakPolarHBondContact O-CB 3.38Å; D838-N842 PolarHBondContact O-N 2.87Å; D838-N842 PolarHBondContact O-ND2 2.79Å; E839-N842 PolarHBondContact O-N 2.87Å; I840-N842 VanDerWaalsContact C-N 3.34Å; I840-N842 PolarHBondContact O-N 3.48Å; N842-T846 WeakPolarHBondContact O-CB 3.33Å; N842-T846 PolarHBondContact O-N 2.83Å; N842-T846 VanDerWaalsContact O-N 3.07Å; N842-T846 PolarHBondContact O-OG1 3.34Å |
| 843 | L | 78.2 | Confident | 74.8 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 62% | 0.618 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.8 | -45.1 | 173.3 | -74.8 | 168.7 | 0 | 0 | 0 | 111.7 | E839 I840 L845 T846 L847 | E839-L843 VanDerWaalsContact O-CG 3.32Å; E839-L843 WeakPolarHBondContact O-CG 3.46Å; E839-L843 PolarHBondContact O-N 3.22Å; I840-L843 PolarHBondContact O-N 2.96Å; L843-L845 PolarHBondContact O-N 3.5Å; L843-T846 CarbonylContact O-C 2.93Å; L843-T846 WeakPolarHBondContact O-CA 3.25Å; L843-T846 WeakPolarHBondContact O-CB 3.46Å; L843-T846 PolarHBondContact O-N 3.29Å; L843-L847 PolarHBondContact O-N 3.43Å |
| 844 | H | 75.1 | Confident | 74.5 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 172.6 | -74.9 | 95.4 | 0 | 0 | 0 | 111.9 | I840 N841 T846 L847 D848 | I840-H844 PolarHBondContact O-N 3.42Å; I840-H844 PolarHBondContact O-ND1 3.4Å; N841-H844 PolarHBondContact O-N 3.37Å; H844-T846 PolarHBondContact O-N 2.91Å; H844-L847 PolarHBondContact O-N 2.91Å; H844-D848 PolarHBondContact O-N 2.84Å |
| 845 | L | 78.5 | Confident | 74.2 | Confident | 94 Ų | 94 | 92.5 Ų | 92.5 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -13.6 | 173.8 | -90.4 | 165.7 | 0 | 0 | 0 | 114.3 | N841 L843 K849 | N841-L845 WeakPolarHBondContact O-CB 3.4Å; N841-L845 PolarHBondContact O-N 2.81Å; L843-L845 PolarHBondContact O-N 3.5Å; L845-K849 VanDerWaalsContact O-CD 3.31Å; L845-K849 WeakPolarHBondContact O-CD 3.42Å; L845-K849 VanDerWaalsContact O-CE 3.31Å; L845-K849 WeakPolarHBondContact O-CE 3.16Å; L845-K849 VanDerWaalsContact O-CG 3.31Å; L845-K849 WeakPolarHBondContact O-CG 3.28Å; L845-K849 PolarHBondContact O-NZ 2.83Å |
| 846 | T | 72.7 | Confident | 73.7 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -95.3 | -37.3 | 174.1 | -59 | 0 | 0 | 0 | 0 | 111 | N842 L843 H844 K849 Y850 | N842-T846 WeakPolarHBondContact O-CB 3.33Å; N842-T846 PolarHBondContact O-N 2.83Å; N842-T846 VanDerWaalsContact O-N 3.07Å; N842-T846 PolarHBondContact O-OG1 3.34Å; L843-T846 CarbonylContact O-C 2.93Å; L843-T846 WeakPolarHBondContact O-CA 3.25Å; L843-T846 WeakPolarHBondContact O-CB 3.46Å; L843-T846 PolarHBondContact O-N 3.29Å; H844-T846 PolarHBondContact O-N 2.91Å; T846-K849 PolarHBondContact O-N 3.01Å; T846-Y850 PolarHBondContact O-N 3.12Å |
| 847 | L | 74.2 | Confident | 73.2 | Confident | 90 Ų | 90 | 89.5 Ų | 89.5 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 173.2 | -174.4 | 60.4 | 0 | 0 | 0 | 111.8 | L843 H844 K849 Y850 N851 | L843-L847 PolarHBondContact O-N 3.43Å; H844-L847 PolarHBondContact O-N 2.91Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 3.1Å; L847-Y850 HydrophobicContact CD1-CD1 4.41Å; L847-Y850 CarbonylContact O-C 3.41Å; L847-Y850 WeakPolarHBondContact O-CB 3.2Å; L847-Y850 PolarHBondContact O-N 3.27Å; L847-Y850 VanDerWaalsContact O-N 3.1Å; L847-N851 VanDerWaalsContact O-CG 3.25Å; L847-N851 PolarHBondContact O-N 3.41Å; L847-N851 PolarHBondContact O-ND2 3.38Å |
| 848 | D | 71.8 | Confident | 72.5 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.3 | -38.6 | 175.2 | -74.3 | -26.1 | 0 | 0 | 0 | 112.6 | H844 N851 S852 | H844-D848 PolarHBondContact O-N 2.84Å; D848-N851 PolarHBondContact O-N 2.87Å; D848-S852 WeakPolarHBondContact O-CB 3.35Å; D848-S852 PolarHBondContact O-N 3.42Å |
| 849 | K | 73.8 | Confident | 72.2 | Confident | 132 Ų | 132 | 86.7 Ų | 86.7 | 57% | 0.574 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.8 | -38.7 | 174.4 | -66.9 | 174.4 | -171.3 | 114.2 | 0 | 111.3 | L845 T846 L847 F853 | L845-K849 VanDerWaalsContact O-CD 3.31Å; L845-K849 WeakPolarHBondContact O-CD 3.42Å; L845-K849 VanDerWaalsContact O-CE 3.31Å; L845-K849 WeakPolarHBondContact O-CE 3.16Å; L845-K849 VanDerWaalsContact O-CG 3.31Å; L845-K849 WeakPolarHBondContact O-CG 3.28Å; L845-K849 PolarHBondContact O-NZ 2.83Å; T846-K849 PolarHBondContact O-N 3.01Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 3.1Å; K849-F853 VanDerWaalsContact O-CB 3.32Å; K849-F853 WeakPolarHBondContact O-CB 3.23Å; K849-F853 PolarHBondContact O-N 2.66Å |
| 850 | Y | 70.8 | Confident | 71.9 | Confident | 135 Ų | 135 | 89.4 Ų | 89.4 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 174.8 | -177.6 | -113.7 | 0 | 0 | 0 | 111.9 | T846 L847 F853 N854 | T846-Y850 PolarHBondContact O-N 3.12Å; L847-Y850 HydrophobicContact CD1-CD1 4.41Å; L847-Y850 CarbonylContact O-C 3.41Å; L847-Y850 WeakPolarHBondContact O-CB 3.2Å; L847-Y850 PolarHBondContact O-N 3.27Å; L847-Y850 VanDerWaalsContact O-N 3.1Å; Y850-F853 WeakPolarHBondContact O-CB 3.43Å; Y850-F853 PolarHBondContact O-N 3.24Å; Y850-N854 WeakPolarHBondContact CD1-ND2 3.29Å; Y850-N854 WeakPolarHBondContact CE1-ND2 3.48Å; Y850-N854 VanDerWaalsContact CZ-ND2 3.34Å; Y850-N854 WeakPolarHBondContact O-CB 3.44Å; Y850-N854 VanDerWaalsContact O-CG 3.28Å; Y850-N854 PolarHBondContact O-N 3.22Å; Y850-N854 PolarHBondContact O-ND2 2.81Å |
| 851 | N | 70.5 | Confident | 71.4 | Confident | 80 Ų | 80 | 88.5 Ų | 88.5 | 43% | 0.428 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 175.3 | -68.3 | -21.3 | 0 | 0 | 0 | 111.7 | L847 D848 F853 N854 Q855 | L847-N851 VanDerWaalsContact O-CG 3.25Å; L847-N851 PolarHBondContact O-N 3.41Å; L847-N851 PolarHBondContact O-ND2 3.38Å; D848-N851 PolarHBondContact O-N 2.87Å; N851-F853 VanDerWaalsContact C-N 3.28Å; N851-F853 PolarHBondContact O-N 3.14Å; N851-N854 PolarHBondContact O-N 2.96Å; N851-Q855 PolarHBondContact O-N 3.38Å |
| 852 | S | 70.4 | Confident | 70.8 | Confident | 79 Ų | 79 | 86.7 Ų | 86.7 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.5 | -35 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | D848 T856 | D848-S852 WeakPolarHBondContact O-CB 3.35Å; D848-S852 PolarHBondContact O-N 3.42Å; S852-T856 PolarHBondContact O-N 2.85Å; S852-T856 PolarHBondContact O-OG1 2.67Å |
| 853 | F | 72.9 | Confident | 70.4 | Confident | 120 Ų | 120 | 85.7 Ų | 85.7 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.4 | -44.1 | 176.6 | 179 | -109.7 | 0 | 0 | 0 | 111.8 | K849 Y850 N851 Q855 T856 I857 | K849-F853 VanDerWaalsContact O-CB 3.32Å; K849-F853 WeakPolarHBondContact O-CB 3.23Å; K849-F853 PolarHBondContact O-N 2.66Å; Y850-F853 WeakPolarHBondContact O-CB 3.43Å; Y850-F853 PolarHBondContact O-N 3.24Å; N851-F853 VanDerWaalsContact C-N 3.28Å; N851-F853 PolarHBondContact O-N 3.14Å; F853-Q855 PolarHBondContact O-N 2.73Å; F853-T856 WeakPolarHBondContact O-CA 3.24Å; F853-T856 WeakPolarHBondContact O-CB 3.43Å; F853-T856 PolarHBondContact O-N 3.27Å; F853-T856 VanDerWaalsContact O-N 3.08Å; F853-I857 HydrophobicContact CD1-CD1 3.96Å; F853-I857 HydrophobicContact CE1-CD1 3.4Å; F853-I857 HydrophobicContact CE1-CG1 4.38Å; F853-I857 HydrophobicContact CE2-CD1 4.3Å; F853-I857 HydrophobicContact CZ-CD1 3.6Å; F853-I857 HydrophobicContact CZ-CG1 4.33Å; F853-I857 PolarHBondContact O-N 2.76Å |
| 854 | N | 67.5 | Low | 69.9 | Low | 34 Ų | 34 | 83.5 Ų | 83.5 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 175.9 | -71.5 | -20 | 0 | 0 | 0 | 112 | Y850 N851 T856 I857 H858 | Y850-N854 WeakPolarHBondContact CD1-ND2 3.29Å; Y850-N854 WeakPolarHBondContact CE1-ND2 3.48Å; Y850-N854 VanDerWaalsContact CZ-ND2 3.34Å; Y850-N854 WeakPolarHBondContact O-CB 3.44Å; Y850-N854 VanDerWaalsContact O-CG 3.28Å; Y850-N854 PolarHBondContact O-N 3.22Å; Y850-N854 PolarHBondContact O-ND2 2.81Å; N851-N854 PolarHBondContact O-N 2.96Å; N854-T856 PolarHBondContact O-N 2.86Å; N854-I857 PolarHBondContact O-N 2.95Å; N854-H858 WeakPolarHBondContact O-CB 3.49Å; N854-H858 PolarHBondContact O-N 2.83Å |
| 855 | Q | 66.9 | Low | 69.5 | Low | 58 Ų | 58 | 81 Ų | 81 | 27% | 0.271 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -31.5 | 175.2 | -169.7 | 59.1 | 39.3 | 0 | 0 | 112.1 | N851 F853 N859 S945 | N851-Q855 PolarHBondContact O-N 3.38Å; F853-Q855 PolarHBondContact O-N 2.73Å; Q855-N859 PolarHBondContact NE2-OD1 3.06Å; Q855-N859 VanDerWaalsContact NE2-OD1 3.11Å; Q855-N859 WeakPolarHBondContact O-CB 3.44Å; Q855-N859 PolarHBondContact O-N 3.31Å; Q855-N859 VanDerWaalsContact O-N 3.13Å; Q855-N859 PolarHBondContact O-OD1 3.3Å; Q855-S945 PolarHBondContact OE1-OG 3.05Å |
| 856 | T | 68.6 | Low | 69.1 | Low | 87 Ų | 87 | 82.3 Ų | 82.3 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 173.3 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | S852 F853 N854 F860 | S852-T856 PolarHBondContact O-N 2.85Å; S852-T856 PolarHBondContact O-OG1 2.67Å; F853-T856 WeakPolarHBondContact O-CA 3.24Å; F853-T856 WeakPolarHBondContact O-CB 3.43Å; F853-T856 PolarHBondContact O-N 3.27Å; F853-T856 VanDerWaalsContact O-N 3.08Å; N854-T856 PolarHBondContact O-N 2.86Å; T856-F860 PolarHBondContact O-N 3.17Å; T856-F860 VanDerWaalsContact O-N 3.14Å |
| 857 | I | 65.5 | Low | 69.1 | Low | 61 Ų | 61 | 83.3 Ų | 83.3 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 174.3 | -74.9 | 179.2 | 0 | 0 | 0 | 111.4 | F853 N854 N859 F860 I861 | F853-I857 HydrophobicContact CD1-CD1 3.96Å; F853-I857 HydrophobicContact CE1-CD1 3.4Å; F853-I857 HydrophobicContact CE1-CG1 4.38Å; F853-I857 HydrophobicContact CE2-CD1 4.3Å; F853-I857 HydrophobicContact CZ-CD1 3.6Å; F853-I857 HydrophobicContact CZ-CG1 4.33Å; F853-I857 PolarHBondContact O-N 2.76Å; N854-I857 PolarHBondContact O-N 2.95Å; I857-N859 PolarHBondContact O-N 2.86Å; I857-F860 WeakPolarHBondContact O-CB 3.17Å; I857-F860 PolarHBondContact O-N 2.86Å; I857-F860 VanDerWaalsContact O-N 3.1Å; I857-I861 HydrophobicContact CG2-CD1 3.56Å; I857-I861 HydrophobicContact CG2-CG1 4.2Å; I857-I861 WeakPolarHBondContact O-CG1 3.36Å; I857-I861 PolarHBondContact O-N 3.15Å |
| 858 | H | 61.7 | Low | 69.1 | Low | 36 Ų | 36 | 84.6 Ų | 84.6 | 17% | 0.167 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 177.9 | 179.3 | 86 | 0 | 0 | 0 | 111.2 | N854 F860 I861 C862 S945 | N854-H858 WeakPolarHBondContact O-CB 3.49Å; N854-H858 PolarHBondContact O-N 2.83Å; H858-F860 PolarHBondContact O-N 3.48Å; H858-I861 PolarHBondContact O-N 3.49Å; H858-C862 PolarHBondContact O-N 3.41Å; H858-C862 PolarHBondContact O-SG 2.92Å; H858-C862 VanDerWaalsContact O-SG 3.41Å; H858-S945 PolarHBondContact CE1-O 3.09Å; H858-S945 VanDerWaalsContact CE1-O 3.23Å; H858-S945 PolarHBondContact ND1-O 3.26Å |
| 859 | N | 68.8 | Low | 69 | Low | 92 Ų | 92 | 81.1 Ų | 81.1 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -33.8 | 176.2 | -69.8 | -1.5 | 0 | 0 | 0 | 112.8 | Q855 I857 N863 | Q855-N859 PolarHBondContact NE2-OD1 3.06Å; Q855-N859 VanDerWaalsContact NE2-OD1 3.11Å; Q855-N859 WeakPolarHBondContact O-CB 3.44Å; Q855-N859 PolarHBondContact O-N 3.31Å; Q855-N859 VanDerWaalsContact O-N 3.13Å; Q855-N859 PolarHBondContact O-OD1 3.3Å; I857-N859 PolarHBondContact O-N 2.86Å; N859-N863 WeakPolarHBondContact O-CB 3.49Å |
| 860 | F | 69.3 | Low | 69.1 | Low | 132 Ų | 132 | 78.7 Ų | 78.7 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.1 | -52.6 | 175.5 | -173.3 | -88.5 | 0 | 0 | 0 | 111.6 | T856 I857 H858 C862 N863 D864 | T856-F860 PolarHBondContact O-N 3.17Å; T856-F860 VanDerWaalsContact O-N 3.14Å; I857-F860 WeakPolarHBondContact O-CB 3.17Å; I857-F860 PolarHBondContact O-N 2.86Å; I857-F860 VanDerWaalsContact O-N 3.1Å; H858-F860 PolarHBondContact O-N 3.48Å; F860-C862 PolarHBondContact O-N 3.12Å; F860-N863 PolarHBondContact O-N 3.15Å; F860-D864 VanDerWaalsContact CE1-OD2 3.25Å; F860-D864 WeakPolarHBondContact CE1-OD2 3.24Å; F860-D864 PolarHBondContact O-N 3.05Å |
| 861 | I | 65.2 | Low | 69.4 | Low | 54 Ų | 54 | 75.6 Ų | 75.6 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | -178.1 | -69.2 | 174.6 | 0 | 0 | 0 | 111.3 | I857 H858 N863 D864 H865 F949 | I857-I861 HydrophobicContact CG2-CD1 3.56Å; I857-I861 HydrophobicContact CG2-CG1 4.2Å; I857-I861 WeakPolarHBondContact O-CG1 3.36Å; I857-I861 PolarHBondContact O-N 3.15Å; H858-I861 PolarHBondContact O-N 3.49Å; I861-N863 VanDerWaalsContact C-N 3.26Å; I861-N863 PolarHBondContact O-N 3.44Å; I861-D864 PolarHBondContact O-N 3.04Å; I861-H865 PolarHBondContact O-CD2 2.88Å; I861-H865 PolarHBondContact O-N 3.29Å; I861-F949 HydrophobicContact CG2-CE1 3.88Å; I861-F949 HydrophobicContact CG2-CE2 4.18Å; I861-F949 HydrophobicContact CG2-CZ 3.54Å |
| 862 | C | 65.1 | Low | 69.7 | Low | 25 Ų | 25 | 74.5 Ų | 74.5 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -34.7 | 179.8 | -68 | 0 | 0 | 0 | 0 | 112.6 | H858 F860 R866 F937 | H858-C862 PolarHBondContact O-N 3.41Å; H858-C862 PolarHBondContact O-SG 2.92Å; H858-C862 VanDerWaalsContact O-SG 3.41Å; F860-C862 PolarHBondContact O-N 3.12Å; C862-R866 VanDerWaalsContact O-CB 3.31Å; C862-R866 WeakPolarHBondContact O-CB 3.48Å; C862-R866 PolarHBondContact O-N 2.9Å; C862-F937 HydrophobicContact CB-CE1 4.28Å |
| 863 | N | 70.2 | Confident | 70 | Confident | 77 Ų | 77 | 71 Ų | 71 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -75.4 | -36.4 | 178.7 | -163.7 | 33.9 | 0 | 0 | 0 | 112.4 | N859 F860 I861 Q867 | N859-N863 WeakPolarHBondContact O-CB 3.49Å; F860-N863 PolarHBondContact O-N 3.15Å; I861-N863 VanDerWaalsContact C-N 3.26Å; I861-N863 PolarHBondContact O-N 3.44Å; N863-Q867 WeakPolarHBondContact O-CG 3.31Å; N863-Q867 PolarHBondContact O-N 3.41Å; N863-Q867 VanDerWaalsContact O-N 3.1Å |
| 864 | D | 69.5 | Low | 70.2 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.1 | -45.7 | 175.5 | -90.2 | 10 | 0 | 0 | 0 | 112.1 | F860 I861 R866 Q867 L868 | F860-D864 VanDerWaalsContact CE1-OD2 3.25Å; F860-D864 WeakPolarHBondContact CE1-OD2 3.24Å; F860-D864 PolarHBondContact O-N 3.05Å; I861-D864 PolarHBondContact O-N 3.04Å; D864-R866 VanDerWaalsContact C-N 3.28Å; D864-R866 PolarHBondContact O-N 2.91Å; D864-Q867 PolarHBondContact O-N 3.02Å; D864-Q867 VanDerWaalsContact O-N 3.12Å; D864-L868 WeakPolarHBondContact O-CB 3.28Å; D864-L868 PolarHBondContact O-N 3.41Å |
| 865 | H | 66.2 | Low | 70.9 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 27% | 0.269 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57 | -42.3 | 173.8 | -86.1 | -98.2 | 0 | 0 | 0 | 111.7 | I861 Q867 L868 Y869 | I861-H865 PolarHBondContact O-CD2 2.88Å; I861-H865 PolarHBondContact O-N 3.29Å; H865-Q867 PolarHBondContact O-N 3.48Å; H865-L868 PolarHBondContact O-N 2.83Å; H865-L868 VanDerWaalsContact O-N 3.16Å; H865-Y869 VanDerWaalsContact O-CD2 3.28Å; H865-Y869 WeakPolarHBondContact O-CD2 3.29Å; H865-Y869 PolarHBondContact O-N 3.5Å |
| 866 | R | 70.1 | Confident | 71.5 | Confident | 121 Ų | 121 | 72.2 Ų | 72.2 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 176.1 | -176.9 | 177.7 | -179.6 | -123.9 | 9.4 | 112.6 | C862 D864 Q870 F934 | C862-R866 VanDerWaalsContact O-CB 3.31Å; C862-R866 WeakPolarHBondContact O-CB 3.48Å; C862-R866 PolarHBondContact O-N 2.9Å; D864-R866 VanDerWaalsContact C-N 3.28Å; D864-R866 PolarHBondContact O-N 2.91Å; R866-Q870 VanDerWaalsContact O-CB 3.31Å; R866-Q870 WeakPolarHBondContact O-CB 3.32Å; R866-Q870 PolarHBondContact O-N 3.06Å; R866-Q870 VanDerWaalsContact O-N 3.17Å; R866-F934 HydrophobicContact CG-CE1 4.23Å |
| 867 | Q | 72.7 | Confident | 72.1 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 173.5 | -73.6 | -174 | 77.9 | 0 | 0 | 112.5 | N863 D864 H865 Q870 S871 | N863-Q867 WeakPolarHBondContact O-CG 3.31Å; N863-Q867 PolarHBondContact O-N 3.41Å; N863-Q867 VanDerWaalsContact O-N 3.1Å; D864-Q867 PolarHBondContact O-N 3.02Å; D864-Q867 VanDerWaalsContact O-N 3.12Å; H865-Q867 PolarHBondContact O-N 3.48Å; Q867-Q870 PolarHBondContact O-N 3.16Å; Q867-S871 WeakPolarHBondContact O-CB 3.32Å; Q867-S871 PolarHBondContact O-N 3.09Å; Q867-S871 PolarHBondContact O-OG 2.93Å |
| 868 | L | 74.4 | Confident | 72.9 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 62% | 0.618 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.6 | -49.6 | -178.4 | -147.9 | 165.1 | 0 | 0 | 0 | 111.2 | D864 H865 Q870 S871 L872 | D864-L868 WeakPolarHBondContact O-CB 3.28Å; D864-L868 PolarHBondContact O-N 3.41Å; H865-L868 PolarHBondContact O-N 2.83Å; H865-L868 VanDerWaalsContact O-N 3.16Å; L868-Q870 PolarHBondContact O-N 3.3Å; L868-S871 PolarHBondContact O-N 3.25Å; L868-S871 VanDerWaalsContact O-N 3.16Å; L868-L872 PolarHBondContact O-N 3.09Å |
| 869 | Y | 69.6 | Low | 74 | Confident | 30 Ų | 30 | 71.9 Ų | 71.9 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 172.6 | -78.3 | -69.5 | 0 | 0 | 0 | 112.4 | H865 S871 L872 I873 I933 Y958 L965 | H865-Y869 VanDerWaalsContact O-CD2 3.28Å; H865-Y869 WeakPolarHBondContact O-CD2 3.29Å; H865-Y869 PolarHBondContact O-N 3.5Å; Y869-S871 PolarHBondContact O-N 3.14Å; Y869-L872 PolarHBondContact O-N 2.62Å; Y869-I873 WeakPolarHBondContact O-CG1 3.34Å; Y869-I873 PolarHBondContact O-N 2.66Å; Y869-I933 HydrophobicContact CD1-CD1 4.2Å; Y869-I933 HydrophobicContact CE1-CD1 4.46Å; Y869-I933 HydrophobicContact CG-CG2 4.43Å; Y869-Y958 VanDerWaalsContact OH-CE2 3.25Å; Y869-Y958 WeakPolarHBondContact OH-CE2 3.18Å; Y869-L965 HydrophobicContact CD1-CD1 4.09Å; Y869-L965 HydrophobicContact CE1-CD1 4.01Å |
| 870 | Q | 74.6 | Confident | 74.7 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -29.6 | 178.5 | -162.5 | -174.6 | 47 | 0 | 0 | 112.5 | R866 Q867 L868 K874 F934 | R866-Q870 VanDerWaalsContact O-CB 3.31Å; R866-Q870 WeakPolarHBondContact O-CB 3.32Å; R866-Q870 PolarHBondContact O-N 3.06Å; R866-Q870 VanDerWaalsContact O-N 3.17Å; Q867-Q870 PolarHBondContact O-N 3.16Å; L868-Q870 PolarHBondContact O-N 3.3Å; Q870-K874 WeakPolarHBondContact O-CD 3.18Å; Q870-K874 VanDerWaalsContact O-CG 3.3Å; Q870-K874 WeakPolarHBondContact O-CG 3.4Å; Q870-K874 PolarHBondContact O-N 3.05Å; Q870-F934 HydrophobicContact CB-CZ 4.37Å; Q870-F934 HydrophobicContact CG-CZ 4.48Å |
| 871 | S | 77.1 | Confident | 75.3 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -77.7 | -41.9 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 112 | Q867 L868 Y869 K874 L875 | Q867-S871 WeakPolarHBondContact O-CB 3.32Å; Q867-S871 PolarHBondContact O-N 3.09Å; Q867-S871 PolarHBondContact O-OG 2.93Å; L868-S871 PolarHBondContact O-N 3.25Å; L868-S871 VanDerWaalsContact O-N 3.16Å; Y869-S871 PolarHBondContact O-N 3.14Å; S871-K874 PolarHBondContact O-N 2.94Å; S871-L875 PolarHBondContact O-N 3.33Å |
| 872 | L | 76.9 | Confident | 76.2 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 177.6 | -170.3 | 65.2 | 0 | 0 | 0 | 111.7 | L868 Y869 K874 L875 C876 L965 | L868-L872 PolarHBondContact O-N 3.09Å; Y869-L872 PolarHBondContact O-N 2.62Å; L872-K874 VanDerWaalsContact C-N 3.34Å; L872-K874 PolarHBondContact O-N 2.88Å; L872-L875 WeakPolarHBondContact O-CB 3.49Å; L872-L875 PolarHBondContact O-N 2.89Å; L872-L875 VanDerWaalsContact O-N 3.12Å; L872-C876 PolarHBondContact O-N 3.23Å; L872-C876 PolarHBondContact O-SG 2.68Å; L872-C876 VanDerWaalsContact O-SG 3.32Å; L872-L965 HydrophobicContact CD2-CD1 4.31Å; L872-L965 HydrophobicContact CD2-CD2 3.8Å |
| 873 | I | 77.2 | Confident | 76.9 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 177.4 | -66.9 | 166.5 | 0 | 0 | 0 | 111.2 | Y869 L875 C876 Q877 K930 | Y869-I873 WeakPolarHBondContact O-CG1 3.34Å; Y869-I873 PolarHBondContact O-N 2.66Å; I873-L875 VanDerWaalsContact C-N 3.33Å; I873-L875 PolarHBondContact O-N 3.08Å; I873-C876 PolarHBondContact O-N 2.69Å; I873-Q877 WeakPolarHBondContact O-CG 3.25Å; I873-Q877 PolarHBondContact O-N 2.8Å; I873-K930 HydrophobicContact CD1-CB 4.17Å; I873-K930 HydrophobicContact CD1-CG 4.45Å |
| 874 | K | 78.2 | Confident | 77.5 | Confident | 115 Ų | 115 | 65.7 Ų | 65.7 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 175.1 | -75.4 | 170.6 | -178.3 | 170.4 | 0 | 112.4 | Q870 S871 L872 S878 | Q870-K874 WeakPolarHBondContact O-CD 3.18Å; Q870-K874 VanDerWaalsContact O-CG 3.3Å; Q870-K874 WeakPolarHBondContact O-CG 3.4Å; Q870-K874 PolarHBondContact O-N 3.05Å; S871-K874 PolarHBondContact O-N 2.94Å; L872-K874 VanDerWaalsContact C-N 3.34Å; L872-K874 PolarHBondContact O-N 2.88Å; K874-S878 WeakPolarHBondContact O-CB 3.48Å; K874-S878 PolarHBondContact O-N 3.42Å; K874-S878 PolarHBondContact O-OG 2.61Å |
| 875 | L | 81.1 | Confident | 78.1 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | 177.7 | -175.8 | 63.6 | 0 | 0 | 0 | 111.3 | S871 L872 I873 S878 K879 | S871-L875 PolarHBondContact O-N 3.33Å; L872-L875 WeakPolarHBondContact O-CB 3.49Å; L872-L875 PolarHBondContact O-N 2.89Å; L872-L875 VanDerWaalsContact O-N 3.12Å; I873-L875 VanDerWaalsContact C-N 3.33Å; I873-L875 PolarHBondContact O-N 3.08Å; L875-S878 WeakPolarHBondContact O-CB 3.39Å; L875-S878 PolarHBondContact O-N 3.23Å; L875-K879 PolarHBondContact O-N 2.72Å |
| 876 | C | 80.2 | Confident | 78.5 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 112 | L872 I873 S878 K879 I880 F926 L972 | L872-C876 PolarHBondContact O-N 3.23Å; L872-C876 PolarHBondContact O-SG 2.68Å; L872-C876 VanDerWaalsContact O-SG 3.32Å; I873-C876 PolarHBondContact O-N 2.69Å; C876-S878 VanDerWaalsContact C-N 3.25Å; C876-S878 PolarHBondContact O-N 3.28Å; C876-K879 PolarHBondContact O-N 3.1Å; C876-I880 WeakPolarHBondContact O-CG1 3.16Å; C876-I880 PolarHBondContact O-N 2.83Å; C876-F926 HydrophobicContact CB-CD1 4.25Å; C876-F926 HydrophobicContact CB-CD2 4.25Å; C876-F926 HydrophobicContact CB-CE1 3.85Å; C876-F926 HydrophobicContact CB-CE2 3.85Å; C876-F926 HydrophobicContact CB-CG 4.45Å; C876-F926 HydrophobicContact CB-CZ 3.64Å; C876-L972 HydrophobicContact CB-CD2 4.13Å |
| 877 | Q | 80.9 | Confident | 78.7 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 175.4 | -71.6 | 178.9 | -29.1 | 0 | 0 | 112.3 | I873 T881 N927 | I873-Q877 WeakPolarHBondContact O-CG 3.25Å; I873-Q877 PolarHBondContact O-N 2.8Å; Q877-T881 WeakPolarHBondContact O-CB 3.25Å; Q877-T881 PolarHBondContact O-N 3.3Å; Q877-T881 PolarHBondContact O-OG1 2.78Å; Q877-N927 PolarHBondContact NE2-OD1 3.24Å; Q877-N927 VanDerWaalsContact NE2-OD1 3.08Å |
| 878 | S | 82.7 | Confident | 78.8 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 51% | 0.51 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | K874 L875 C876 T881 W882 | K874-S878 WeakPolarHBondContact O-CB 3.48Å; K874-S878 PolarHBondContact O-N 3.42Å; K874-S878 PolarHBondContact O-OG 2.61Å; L875-S878 WeakPolarHBondContact O-CB 3.39Å; L875-S878 PolarHBondContact O-N 3.23Å; C876-S878 VanDerWaalsContact C-N 3.25Å; C876-S878 PolarHBondContact O-N 3.28Å; S878-T881 PolarHBondContact O-N 2.81Å; S878-W882 PolarHBondContact O-N 2.89Å |
| 879 | K | 83.6 | Confident | 78.7 | Confident | 59 Ų | 59 | 59 Ų | 59 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 176.4 | -174.7 | 172 | 175.4 | 177.2 | 0 | 112 | L875 C876 T881 W882 I883 L972 D973 D976 | L875-K879 PolarHBondContact O-N 2.72Å; C876-K879 PolarHBondContact O-N 3.1Å; K879-T881 VanDerWaalsContact C-N 3.33Å; K879-T881 PolarHBondContact O-N 3.45Å; K879-W882 PolarHBondContact O-N 3.48Å; K879-I883 HydrophobicContact CG-CD1 4.38Å; K879-I883 WeakPolarHBondContact O-CG1 3.27Å; K879-I883 PolarHBondContact O-N 3.41Å; K879-L972 HydrophobicContact CB-CD2 4.29Å; K879-L972 HydrophobicContact CD-CD1 4.36Å; K879-L972 HydrophobicContact CD-CD2 4.01Å; K879-L972 HydrophobicContact CD-CG 4Å; K879-L972 HydrophobicContact CG-CD1 4.23Å; K879-L972 HydrophobicContact CG-CD2 4.39Å; K879-L972 HydrophobicContact CG-CG 4.39Å; K879-D973 IonicContact NZ-OD1 2.97Å; K879-D973 PolarHBondContact NZ-OD1 2.78Å; K879-D976 WeakPolarHBondContact CE-OD2 3.49Å; K879-D976 IonicContact NZ-OD2 2.67Å; K879-D976 PolarHBondContact NZ-OD2 3.39Å |
| 880 | I | 83.3 | Confident | 78.6 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 173.7 | -65 | 170.1 | 0 | 0 | 0 | 111 | C876 W882 I883 L884 A919 L922 N923 F926 L972 | C876-I880 WeakPolarHBondContact O-CG1 3.16Å; C876-I880 PolarHBondContact O-N 2.83Å; I880-W882 VanDerWaalsContact C-N 3.33Å; I880-W882 PolarHBondContact O-N 3.23Å; I880-I883 PolarHBondContact O-N 2.82Å; I880-L884 HydrophobicContact CG2-CD1 4.08Å; I880-L884 WeakPolarHBondContact O-CG 3.28Å; I880-L884 PolarHBondContact O-N 3.27Å; I880-A919 HydrophobicContact CG2-CB 4.34Å; I880-L922 HydrophobicContact CD1-CB 4.4Å; I880-L922 HydrophobicContact CD1-CD2 4.17Å; I880-L922 HydrophobicContact CD1-CG 4.04Å; I880-N923 HydrophobicContact CD1-CB 4.19Å; I880-N923 HydrophobicContact CG2-CB 4.38Å; I880-F926 HydrophobicContact CD1-CD2 3.82Å; I880-F926 HydrophobicContact CD1-CE2 4.01Å; I880-L972 HydrophobicContact CD1-CD1 4.39Å; I880-L972 HydrophobicContact CG1-CD1 3.53Å |
| 881 | T | 82.6 | Confident | 78.4 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | Q877 S878 K879 T885 | Q877-T881 WeakPolarHBondContact O-CB 3.25Å; Q877-T881 PolarHBondContact O-N 3.3Å; Q877-T881 PolarHBondContact O-OG1 2.78Å; S878-T881 PolarHBondContact O-N 2.81Å; K879-T881 VanDerWaalsContact C-N 3.33Å; K879-T881 PolarHBondContact O-N 3.45Å; T881-T885 PolarHBondContact O-N 2.89Å; T881-T885 PolarHBondContact O-OG1 3.49Å |
| 882 | W | 83.4 | Confident | 77.9 | Confident | 121 Ų | 121 | 59 Ų | 59 | 46% | 0.458 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 174.7 | 176.4 | 72.3 | 0 | 0 | 0 | 112.4 | S878 K879 I880 L884 T885 E886 | S878-W882 PolarHBondContact O-N 2.89Å; K879-W882 PolarHBondContact O-N 3.48Å; I880-W882 VanDerWaalsContact C-N 3.33Å; I880-W882 PolarHBondContact O-N 3.23Å; W882-L884 VanDerWaalsContact C-N 3.33Å; W882-L884 PolarHBondContact O-N 3.08Å; W882-T885 WeakPolarHBondContact O-CA 3.23Å; W882-T885 WeakPolarHBondContact O-CB 3.24Å; W882-T885 PolarHBondContact O-N 3.33Å; W882-E886 HydrophobicContact CD2-CG 4.1Å; W882-E886 HydrophobicContact CH2-CG 4.27Å; W882-E886 HydrophobicContact CZ2-CG 3.52Å; W882-E886 PolarHBondContact NE1-OE1 2.84Å; W882-E886 VanDerWaalsContact NE1-OE1 3.13Å; W882-E886 PolarHBondContact O-N 2.87Å |
| 883 | I | 81.4 | Confident | 77.3 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55 | -49.1 | 176.5 | -68.7 | 169.1 | 0 | 0 | 0 | 110.4 | K879 I880 T885 M887 L972 D976 | K879-I883 HydrophobicContact CG-CD1 4.38Å; K879-I883 WeakPolarHBondContact O-CG1 3.27Å; K879-I883 PolarHBondContact O-N 3.41Å; I880-I883 PolarHBondContact O-N 2.82Å; I883-T885 PolarHBondContact O-N 3.34Å; I883-M887 HydrophobicContact CG2-CG 4.41Å; I883-M887 HydrophobicContact CG2-SD 3.9Å; I883-M887 VanDerWaalsContact O-CB 3.3Å; I883-M887 WeakPolarHBondContact O-CB 3.39Å; I883-M887 VanDerWaalsContact O-CG 3.22Å; I883-M887 WeakPolarHBondContact O-CG 3.5Å; I883-M887 PolarHBondContact O-N 3.12Å; I883-L972 HydrophobicContact CD1-CD1 4.2Å; I883-D976 HydrophobicContact CD1-CB 4.15Å |
| 884 | L | 81.3 | Confident | 76.5 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -25.8 | 176.7 | -71.9 | 170.2 | 0 | 0 | 0 | 113.2 | I880 W882 N888 E916 A919 | I880-L884 HydrophobicContact CG2-CD1 4.08Å; I880-L884 WeakPolarHBondContact O-CG 3.28Å; I880-L884 PolarHBondContact O-N 3.27Å; W882-L884 VanDerWaalsContact C-N 3.33Å; W882-L884 PolarHBondContact O-N 3.08Å; L884-N888 PolarHBondContact O-N 3.28Å; L884-N888 PolarHBondContact O-ND2 2.89Å; L884-E916 HydrophobicContact CD2-CG 3.91Å; L884-A919 HydrophobicContact CD2-CB 3.91Å; L884-A919 HydrophobicContact CG-CB 4.18Å |
| 885 | T | 81.7 | Confident | 75.6 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -81.2 | -51.7 | 180 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | T881 W882 I883 M887 N888 Q889 | T881-T885 PolarHBondContact O-N 2.89Å; T881-T885 PolarHBondContact O-OG1 3.49Å; W882-T885 WeakPolarHBondContact O-CA 3.23Å; W882-T885 WeakPolarHBondContact O-CB 3.24Å; W882-T885 PolarHBondContact O-N 3.33Å; I883-T885 PolarHBondContact O-N 3.34Å; T885-M887 VanDerWaalsContact C-N 3.27Å; T885-M887 PolarHBondContact O-N 3.24Å; T885-N888 PolarHBondContact O-N 2.95Å; T885-N888 VanDerWaalsContact O-N 3.13Å; T885-Q889 PolarHBondContact O-N 2.97Å |
| 886 | E | 76.4 | Confident | 74.4 | Confident | 70 Ų | 70 | 65 Ų | 65 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 176.4 | -71.3 | -66 | 159.8 | 0 | 0 | 112.4 | W882 Q889 S890 | W882-E886 HydrophobicContact CD2-CG 4.1Å; W882-E886 HydrophobicContact CH2-CG 4.27Å; W882-E886 HydrophobicContact CZ2-CG 3.52Å; W882-E886 PolarHBondContact NE1-OE1 2.84Å; W882-E886 VanDerWaalsContact NE1-OE1 3.13Å; W882-E886 PolarHBondContact O-N 2.87Å; E886-Q889 PolarHBondContact O-N 3.5Å; E886-S890 WeakPolarHBondContact O-CB 3.49Å; E886-S890 PolarHBondContact O-N 3.39Å; E886-S890 PolarHBondContact O-OG 2.92Å |
| 887 | M | 74.3 | Confident | 73 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -53.4 | 172.3 | -77.4 | -176.1 | 73.9 | 0 | 0 | 110.9 | I883 T885 Q889 S890 K891 Y912 I915 E916 | I883-M887 HydrophobicContact CG2-CG 4.41Å; I883-M887 HydrophobicContact CG2-SD 3.9Å; I883-M887 VanDerWaalsContact O-CB 3.3Å; I883-M887 WeakPolarHBondContact O-CB 3.39Å; I883-M887 VanDerWaalsContact O-CG 3.22Å; I883-M887 WeakPolarHBondContact O-CG 3.5Å; I883-M887 PolarHBondContact O-N 3.12Å; T885-M887 VanDerWaalsContact C-N 3.27Å; T885-M887 PolarHBondContact O-N 3.24Å; M887-Q889 PolarHBondContact O-N 3.17Å; M887-S890 CarbonylContact O-C 3.59Å; M887-S890 WeakPolarHBondContact O-CA 3.43Å; M887-S890 WeakPolarHBondContact O-CB 3.35Å; M887-S890 PolarHBondContact O-N 3.5Å; M887-K891 PolarHBondContact O-N 3.21Å; M887-Y912 HydrophobicContact CB-CE2 3.69Å; M887-Y912 WeakPolarHBondContact CB-OH 3.37Å; M887-Y912 HydrophobicContact CE-CD1 4.26Å; M887-Y912 HydrophobicContact CE-CD2 3.89Å; M887-Y912 HydrophobicContact CE-CE1 4.1Å; M887-Y912 HydrophobicContact CE-CE2 3.8Å; M887-Y912 HydrophobicContact CE-CG 4.11Å; M887-Y912 VanDerWaalsContact CE-O 3.24Å; M887-Y912 WeakPolarHBondContact CE-O 3.37Å; M887-Y912 HydrophobicContact CG-CE2 4.36Å; M887-Y912 VanDerWaalsContact O-CE2 3.23Å; M887-Y912 WeakPolarHBondContact O-CE2 3.5Å; M887-Y912 PolarHBondContact O-OH 2.87Å; M887-I915 HydrophobicContact CE-CB 3.6Å; M887-I915 HydrophobicContact CE-CG2 3.55Å; M887-I915 HydrophobicContact SD-CB 4.14Å; M887-I915 HydrophobicContact SD-CG2 3.37Å; M887-I915 WeakPolarHBondContact SD-CG2 3.36Å; M887-E916 HydrophobicContact CE-CB 4.5Å |
| 888 | N | 74.6 | Confident | 71.3 | Confident | 70 Ų | 70 | 74.8 Ų | 74.8 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.2 | -32.4 | -179 | -84.2 | -58.3 | 0 | 0 | 0 | 112.5 | L884 T885 K891 Q892 Y912 | L884-N888 PolarHBondContact O-N 3.28Å; L884-N888 PolarHBondContact O-ND2 2.89Å; T885-N888 PolarHBondContact O-N 2.95Å; T885-N888 VanDerWaalsContact O-N 3.13Å; N888-K891 PolarHBondContact O-N 3.3Å; N888-Q892 WeakPolarHBondContact O-CG 3.44Å; N888-Q892 PolarHBondContact O-N 3.21Å; N888-Q892 VanDerWaalsContact O-N 3.13Å; N888-Y912 VanDerWaalsContact CA-OH 3.28Å; N888-Y912 WeakPolarHBondContact CA-OH 3.07Å; N888-Y912 PolarHBondContact N-OH 3.24Å; N888-Y912 VanDerWaalsContact N-OH 3.09Å; N888-Y912 PolarHBondContact OD1-OH 2.86Å |
| 889 | Q | 71.3 | Confident | 69.5 | Low | 110 Ų | 110 | 77.9 Ų | 77.9 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.9 | -38.8 | 172.6 | -163.9 | 163 | -9 | 0 | 0 | 112.4 | T885 E886 M887 Q892 N893 | T885-Q889 PolarHBondContact O-N 2.97Å; E886-Q889 PolarHBondContact O-N 3.5Å; M887-Q889 PolarHBondContact O-N 3.17Å; Q889-Q892 PolarHBondContact O-N 3.41Å; Q889-N893 PolarHBondContact O-N 2.7Å; Q889-N893 VanDerWaalsContact O-N 3.17Å; Q889-N893 PolarHBondContact O-ND2 3.43Å |
| 890 | S | 68.5 | Low | 67.6 | Low | 24 Ų | 24 | 83.4 Ų | 83.4 | 17% | 0.168 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 172.2 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | E886 M887 Q892 N893 L894 H983 | E886-S890 WeakPolarHBondContact O-CB 3.49Å; E886-S890 PolarHBondContact O-N 3.39Å; E886-S890 PolarHBondContact O-OG 2.92Å; M887-S890 CarbonylContact O-C 3.59Å; M887-S890 WeakPolarHBondContact O-CA 3.43Å; M887-S890 WeakPolarHBondContact O-CB 3.35Å; M887-S890 PolarHBondContact O-N 3.5Å; S890-Q892 VanDerWaalsContact C-N 3.34Å; S890-Q892 PolarHBondContact O-N 2.78Å; S890-N893 PolarHBondContact O-N 3.13Å; S890-L894 PolarHBondContact O-N 3.47Å; S890-H983 PolarHBondContact OG-ND1 2.84Å |
| 891 | K | 69 | Low | 65.7 | Low | 31 Ų | 31 | 90.4 Ų | 90.4 | 14% | 0.135 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.4 | -155.3 | 178.8 | -153.9 | 155.3 | 0 | 111.7 | M887 N888 N893 N895 Y909 Y912 N913 E916 | M887-K891 PolarHBondContact O-N 3.21Å; N888-K891 PolarHBondContact O-N 3.3Å; K891-N893 VanDerWaalsContact C-N 3.34Å; K891-N895 PolarHBondContact O-N 3.47Å; K891-Y909 WeakPolarHBondContact CE-OH 3.45Å; K891-Y912 HydrophobicContact CB-CD2 4.45Å; K891-Y912 HydrophobicContact CB-CE2 3.73Å; K891-Y912 HydrophobicContact CD-CD1 4.04Å; K891-Y912 HydrophobicContact CD-CE1 3.54Å; K891-Y912 HydrophobicContact CD-CE2 4.27Å; K891-Y912 HydrophobicContact CG-CE1 4.27Å; K891-Y912 HydrophobicContact CG-CE2 4.15Å; K891-Y912 VanDerWaalsContact NZ-CD1 3.29Å; K891-N913 PolarHBondContact NZ-OD1 3.04Å; K891-E916 IonicContact NZ-OE2 3.65Å |
| 892 | Q | 67.8 | Low | 64.2 | Low | 127 Ų | 127 | 91.6 Ų | 91.6 | 59% | 0.593 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.7 | -33.4 | 174.9 | -72.7 | 176.9 | 16.6 | 0 | 0 | 112.6 | N888 Q889 S890 N896 | N888-Q892 WeakPolarHBondContact O-CG 3.44Å; N888-Q892 PolarHBondContact O-N 3.21Å; N888-Q892 VanDerWaalsContact O-N 3.13Å; Q889-Q892 PolarHBondContact O-N 3.41Å; S890-Q892 VanDerWaalsContact C-N 3.34Å; S890-Q892 PolarHBondContact O-N 2.78Å; Q892-N896 PolarHBondContact O-ND2 3.28Å |
| 893 | N | 63.4 | Low | 63 | Low | 104 Ų | 104 | 92.5 Ų | 92.5 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69 | -39.3 | 177.2 | -70 | -31 | 0 | 0 | 0 | 112.8 | Q889 S890 K891 N895 N896 | Q889-N893 PolarHBondContact O-N 2.7Å; Q889-N893 VanDerWaalsContact O-N 3.17Å; Q889-N893 PolarHBondContact O-ND2 3.43Å; S890-N893 PolarHBondContact O-N 3.13Å; K891-N893 VanDerWaalsContact C-N 3.34Å; N893-N895 VanDerWaalsContact C-N 3.33Å; N893-N895 PolarHBondContact O-N 3.09Å; N893-N896 PolarHBondContact O-N 3.35Å |
| 894 | L | 60.4 | Low | 61.9 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 176.1 | -81.1 | 160.3 | 0 | 0 | 0 | 112.6 | S890 N896 | S890-L894 PolarHBondContact O-N 3.47Å; L894-N896 PolarHBondContact O-N 3.04Å |
| 895 | N | 59.3 | Low | 60.7 | Low | 119 Ų | 119 | 98.7 Ų | 98.7 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 2.1 | -180 | -71.5 | -9.5 | 0 | 0 | 0 | 115.1 | K891 N893 | K891-N895 PolarHBondContact O-N 3.47Å; N893-N895 VanDerWaalsContact C-N 3.33Å; N893-N895 PolarHBondContact O-N 3.09Å |
| 896 | N | 56.1 | Low | 60 | Low | 127 Ų | 127 | 100.4 Ų | 100.4 | 68% | 0.679 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 11.6 | -172.2 | -74.2 | -38.5 | 0 | 0 | 0 | 114.8 | Q892 N893 L894 | Q892-N896 PolarHBondContact O-ND2 3.28Å; N893-N896 PolarHBondContact O-N 3.35Å; L894-N896 PolarHBondContact O-N 3.04Å |
| 897 | T | 50.5 | Low | 59.7 | Low | 82 Ų | 82 | 102 Ų | 102 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | trans | -129.1 | 103.6 | 179.6 | 40.8 | 0 | 0 | 0 | 0 | 113.3 | I899 | T897-I899 PolarHBondContact O-N 2.84Š| ||
| 898 | D | 45.1 | Very low | 59.5 | Low | 174 Ų | 174 | 103.1 Ų | 103.1 | 93% | 0.93 | 53% | 0.533 | S | S | * | . | trans | -70.3 | 91.1 | 172.8 | -64.3 | -50.8 | 0 | 0 | 0 | 111.8 | ||||
| 899 | I | 45.7 | Very low | 59.4 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 70% | 0.703 | 54% | 0.535 | S | S | * | . | trans | -133.4 | 107.7 | 164.8 | -58 | -177 | 0 | 0 | 0 | 108.8 | T897 | T897-I899 PolarHBondContact O-N 2.84Š| ||
| 900 | E | 44.2 | Very low | 59.8 | Low | 176 Ų | 176 | 103.2 Ų | 103.2 | 82% | 0.822 | 53% | 0.53 | S | S | * | . | trans | -69.7 | 141.1 | -169.1 | -57.4 | 179.4 | 127.6 | 0 | 0 | 114.4 | ||||
| 901 | N | 42.6 | Very low | 60.3 | Low | 151 Ų | 151 | 105.6 Ų | 105.6 | 81% | 0.807 | 54% | 0.538 | S | S | * | . | trans | 59.4 | 86.2 | 160.9 | -64.4 | -63 | 0 | 0 | 0 | 117.5 | ||||
| 902 | N | 51.4 | Low | 60.7 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 58% | 0.578 | 53% | 0.534 | S | S | * | . | trans | -146.7 | 133.2 | 152.3 | -145.7 | -14.1 | 0 | 0 | 0 | 112 | N904 E905 | N902-N904 PolarHBondContact O-N 2.82Å; N902-E905 PolarHBondContact O-N 2.9Å | ||
| 903 | N | 57.3 | Low | 61.3 | Low | 139 Ų | 139 | 101.2 Ų | 101.2 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.7 | -167.9 | -71 | -8.3 | 0 | 0 | 0 | 114 | E905 Q906 | N903-E905 PolarHBondContact O-N 3.49Å; N903-E905 VanDerWaalsContact O-N 3.15Å; N903-Q906 WeakPolarHBondContact O-CB 3.33Å; N903-Q906 PolarHBondContact O-N 3.28Å; N903-Q906 VanDerWaalsContact O-N 3.11Å |
| 904 | N | 59.3 | Low | 62.3 | Low | 79 Ų | 79 | 100.2 Ų | 100.2 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -25.1 | -177.6 | -60.8 | 8.3 | 0 | 0 | 0 | 114.1 | N902 Q906 D907 L908 | N902-N904 PolarHBondContact O-N 2.82Å; N904-Q906 VanDerWaalsContact C-N 3.32Å; N904-D907 PolarHBondContact O-N 3.19Å; N904-L908 PolarHBondContact O-N 3.36Å |
| 905 | E | 56.8 | Low | 63.3 | Low | 93 Ų | 93 | 96.8 Ų | 96.8 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -32.1 | 178 | -67.1 | -169.2 | 137.3 | 0 | 0 | 112.3 | N902 N903 D907 L908 Y909 | N902-E905 PolarHBondContact O-N 2.9Å; N903-E905 PolarHBondContact O-N 3.49Å; N903-E905 VanDerWaalsContact O-N 3.15Å; E905-D907 VanDerWaalsContact C-N 3.33Å; E905-D907 PolarHBondContact O-N 2.85Å; E905-L908 PolarHBondContact O-N 3.36Å; E905-Y909 WeakPolarHBondContact O-CB 3.3Å; E905-Y909 PolarHBondContact O-N 2.82Å |
| 906 | Q | 66.8 | Low | 64.5 | Low | 111 Ų | 111 | 93 Ų | 93 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 178.2 | -172.5 | 60.9 | 63.7 | 0 | 0 | 111 | N903 N904 Y909 N910 | N903-Q906 WeakPolarHBondContact O-CB 3.33Å; N903-Q906 PolarHBondContact O-N 3.28Å; N903-Q906 VanDerWaalsContact O-N 3.11Å; N904-Q906 VanDerWaalsContact C-N 3.32Å; Q906-Y909 PolarHBondContact O-N 3.42Å; Q906-N910 PolarHBondContact NE2-OD1 3.38Å; Q906-N910 WeakPolarHBondContact O-CB 3.19Å; Q906-N910 PolarHBondContact O-N 2.9Å; Q906-N910 PolarHBondContact O-ND2 2.96Å; Q906-N910 PolarHBondContact O-OD1 3.41Å |
| 907 | D | 69.5 | Low | 65.8 | Low | 105 Ų | 105 | 91.5 Ų | 91.5 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.2 | -41.7 | 178.5 | -65.9 | -34 | 0 | 0 | 0 | 111.7 | N904 E905 Y909 N910 E911 | N904-D907 PolarHBondContact O-N 3.19Å; E905-D907 VanDerWaalsContact C-N 3.33Å; E905-D907 PolarHBondContact O-N 2.85Å; D907-Y909 VanDerWaalsContact C-N 3.31Å; D907-Y909 PolarHBondContact O-N 2.77Å; D907-N910 PolarHBondContact O-N 2.65Å; D907-E911 PolarHBondContact O-N 2.98Å |
| 908 | L | 69.5 | Low | 67.5 | Low | 28 Ų | 28 | 89.7 Ų | 89.7 | 15% | 0.147 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | 171.1 | -73.6 | 168.5 | 0 | 0 | 0 | 112 | N904 E905 Y912 L982 | N904-L908 PolarHBondContact O-N 3.36Å; E905-L908 PolarHBondContact O-N 3.36Å; L908-Y912 WeakPolarHBondContact O-CB 3.37Å; L908-Y912 PolarHBondContact O-N 2.81Å; L908-L982 HydrophobicContact CD2-CD1 3.61Å |
| 909 | Y | 72.4 | Confident | 69.3 | Low | 106 Ų | 106 | 81.5 Ų | 81.5 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.7 | -32.7 | 176.5 | -162.9 | -92.4 | 0 | 0 | 0 | 112.6 | K891 E905 Q906 D907 Y912 N913 | K891-Y909 WeakPolarHBondContact CE-OH 3.45Å; E905-Y909 WeakPolarHBondContact O-CB 3.3Å; E905-Y909 PolarHBondContact O-N 2.82Å; Q906-Y909 PolarHBondContact O-N 3.42Å; D907-Y909 VanDerWaalsContact C-N 3.31Å; D907-Y909 PolarHBondContact O-N 2.77Å; Y909-Y912 WeakPolarHBondContact O-CB 3.44Å; Y909-N913 WeakPolarHBondContact CD1-ND2 3.4Å; Y909-N913 WeakPolarHBondContact CE1-ND2 3.49Å; Y909-N913 VanDerWaalsContact O-CG 3.27Å; Y909-N913 PolarHBondContact O-N 3.27Å; Y909-N913 PolarHBondContact O-ND2 3.25Å |
| 910 | N | 80 | Confident | 71.1 | Confident | 76 Ų | 76 | 79.5 Ų | 79.5 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.4 | -50 | 175 | -66.6 | -20.4 | 0 | 0 | 0 | 111 | Q906 D907 Y912 N913 Q914 | Q906-N910 PolarHBondContact NE2-OD1 3.38Å; Q906-N910 WeakPolarHBondContact O-CB 3.19Å; Q906-N910 PolarHBondContact O-N 2.9Å; Q906-N910 PolarHBondContact O-ND2 2.96Å; Q906-N910 PolarHBondContact O-OD1 3.41Å; D907-N910 PolarHBondContact O-N 2.65Å; N910-Y912 VanDerWaalsContact C-N 3.29Å; N910-Y912 PolarHBondContact O-N 3.23Å; N910-N913 PolarHBondContact O-N 2.91Å; N910-N913 VanDerWaalsContact O-N 3.11Å; N910-Q914 PolarHBondContact O-N 2.81Å |
| 911 | E | 79.2 | Confident | 73 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 34% | 0.341 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 177 | -174.5 | 61.9 | -156.6 | 0 | 0 | 111.1 | D907 N913 Q914 I915 R978 L982 | D907-E911 PolarHBondContact O-N 2.98Å; E911-N913 PolarHBondContact O-N 3.46Å; E911-Q914 PolarHBondContact O-N 3.37Å; E911-I915 HydrophobicContact CG-CD1 4.16Å; E911-I915 WeakPolarHBondContact O-CG1 3.49Å; E911-I915 PolarHBondContact O-N 2.92Å; E911-R978 IonicContact OE1-CZ 3.61Å; E911-R978 VanDerWaalsContact OE1-CZ 3.25Å; E911-R978 IonicContact OE1-NE 3.25Å; E911-R978 PolarHBondContact OE1-NE 3.01Å; E911-R978 IonicContact OE1-NH2 2.69Å; E911-R978 PolarHBondContact OE1-NH2 3.2Å; E911-R978 IonicContact OE2-NH2 3.66Å; E911-L982 HydrophobicContact CB-CD1 4.24Å; E911-L982 HydrophobicContact CG-CD1 4.08Å |
| 912 | Y | 78.1 | Confident | 75.1 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.9 | -53 | 171.7 | -178 | -74.4 | 0 | 0 | 0 | 112.2 | M887 N888 K891 L908 Y909 N910 Q914 I915 E916 L982 | M887-Y912 HydrophobicContact CB-CE2 3.69Å; M887-Y912 WeakPolarHBondContact CB-OH 3.37Å; M887-Y912 HydrophobicContact CE-CD1 4.26Å; M887-Y912 HydrophobicContact CE-CD2 3.89Å; M887-Y912 HydrophobicContact CE-CE1 4.1Å; M887-Y912 HydrophobicContact CE-CE2 3.8Å; M887-Y912 HydrophobicContact CE-CG 4.11Å; M887-Y912 VanDerWaalsContact CE-O 3.24Å; M887-Y912 WeakPolarHBondContact CE-O 3.37Å; M887-Y912 HydrophobicContact CG-CE2 4.36Å; M887-Y912 VanDerWaalsContact O-CE2 3.23Å; M887-Y912 WeakPolarHBondContact O-CE2 3.5Å; M887-Y912 PolarHBondContact O-OH 2.87Å; N888-Y912 VanDerWaalsContact CA-OH 3.28Å; N888-Y912 WeakPolarHBondContact CA-OH 3.07Å; N888-Y912 PolarHBondContact N-OH 3.24Å; N888-Y912 VanDerWaalsContact N-OH 3.09Å; N888-Y912 PolarHBondContact OD1-OH 2.86Å; K891-Y912 HydrophobicContact CB-CD2 4.45Å; K891-Y912 HydrophobicContact CB-CE2 3.73Å; K891-Y912 HydrophobicContact CD-CD1 4.04Å; K891-Y912 HydrophobicContact CD-CE1 3.54Å; K891-Y912 HydrophobicContact CD-CE2 4.27Å; K891-Y912 HydrophobicContact CG-CE1 4.27Å; K891-Y912 HydrophobicContact CG-CE2 4.15Å; K891-Y912 VanDerWaalsContact NZ-CD1 3.29Å; L908-Y912 WeakPolarHBondContact O-CB 3.37Å; L908-Y912 PolarHBondContact O-N 2.81Å; Y909-Y912 WeakPolarHBondContact O-CB 3.44Å; N910-Y912 VanDerWaalsContact C-N 3.29Å; N910-Y912 PolarHBondContact O-N 3.23Å; Y912-Q914 VanDerWaalsContact C-N 3.27Å; Y912-Q914 PolarHBondContact O-N 3.44Å; Y912-I915 PolarHBondContact O-N 3.33Å; Y912-E916 HydrophobicContact CE1-CB 4.44Å; Y912-E916 WeakPolarHBondContact CE1-OE2 3.25Å; Y912-E916 PolarHBondContact O-N 2.98Å; Y912-L982 HydrophobicContact CD2-CD2 4.31Å |
| 913 | N | 80.8 | Confident | 76.7 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.5 | -28.4 | -175.1 | -62.4 | -42.6 | 0 | 0 | 0 | 111.5 | K891 Y909 N910 E911 E916 L917 | K891-N913 PolarHBondContact NZ-OD1 3.04Å; Y909-N913 WeakPolarHBondContact CD1-ND2 3.4Å; Y909-N913 WeakPolarHBondContact CE1-ND2 3.49Å; Y909-N913 VanDerWaalsContact O-CG 3.27Å; Y909-N913 PolarHBondContact O-N 3.27Å; Y909-N913 PolarHBondContact O-ND2 3.25Å; N910-N913 PolarHBondContact O-N 2.91Å; N910-N913 VanDerWaalsContact O-N 3.11Å; E911-N913 PolarHBondContact O-N 3.46Å; N913-E916 PolarHBondContact O-N 2.93Å; N913-L917 PolarHBondContact O-N 3.1Å; N913-L917 VanDerWaalsContact O-N 3.1Å |
| 914 | Q | 82.9 | Confident | 78 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.3 | -46.9 | 173.3 | -172.4 | 60.8 | 49.8 | 0 | 0 | 111.6 | N910 E911 Y912 E916 L917 D918 | N910-Q914 PolarHBondContact O-N 2.81Å; E911-Q914 PolarHBondContact O-N 3.37Å; Y912-Q914 VanDerWaalsContact C-N 3.27Å; Y912-Q914 PolarHBondContact O-N 3.44Å; Q914-E916 VanDerWaalsContact C-N 3.26Å; Q914-E916 PolarHBondContact O-N 3.4Å; Q914-L917 WeakPolarHBondContact O-CB 3.45Å; Q914-L917 PolarHBondContact O-N 2.67Å; Q914-L917 VanDerWaalsContact O-N 3.08Å; Q914-D918 PolarHBondContact NE2-OD1 3.3Å; Q914-D918 WeakPolarHBondContact O-CB 3.43Å; Q914-D918 PolarHBondContact O-N 3.47Å |
| 915 | I | 82.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 176.7 | -62.5 | 170.2 | 0 | 0 | 0 | 110.6 | M887 E911 Y912 L917 A919 L975 R978 L982 | M887-I915 HydrophobicContact CE-CB 3.6Å; M887-I915 HydrophobicContact CE-CG2 3.55Å; M887-I915 HydrophobicContact SD-CB 4.14Å; M887-I915 HydrophobicContact SD-CG2 3.37Å; M887-I915 WeakPolarHBondContact SD-CG2 3.36Å; E911-I915 HydrophobicContact CG-CD1 4.16Å; E911-I915 WeakPolarHBondContact O-CG1 3.49Å; E911-I915 PolarHBondContact O-N 2.92Å; Y912-I915 PolarHBondContact O-N 3.33Å; I915-L917 PolarHBondContact O-N 2.95Å; I915-A919 VanDerWaalsContact O-CB 3.3Å; I915-A919 WeakPolarHBondContact O-CB 3.23Å; I915-A919 PolarHBondContact O-N 3.34Å; I915-L975 HydrophobicContact CG2-CD2 3.79Å; I915-R978 HydrophobicContact CD1-CB 3.9Å; I915-R978 HydrophobicContact CG1-CB 4.27Å; I915-L982 HydrophobicContact CD1-CB 4.3Å; I915-L982 HydrophobicContact CD1-CD2 4.02Å |
| 916 | E | 82.8 | Confident | 80.3 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 174 | -159.6 | -165.2 | 131.5 | 0 | 0 | 113 | L884 M887 K891 Y912 N913 Q914 K920 | L884-E916 HydrophobicContact CD2-CG 3.91Å; M887-E916 HydrophobicContact CE-CB 4.5Å; K891-E916 IonicContact NZ-OE2 3.65Å; Y912-E916 HydrophobicContact CE1-CB 4.44Å; Y912-E916 WeakPolarHBondContact CE1-OE2 3.25Å; Y912-E916 PolarHBondContact O-N 2.98Å; N913-E916 PolarHBondContact O-N 2.93Å; Q914-E916 VanDerWaalsContact C-N 3.26Å; Q914-E916 PolarHBondContact O-N 3.4Å; E916-K920 WeakPolarHBondContact O-CD 3.13Å; E916-K920 WeakPolarHBondContact O-CG 3.46Å; E916-K920 PolarHBondContact O-N 3.47Å; E916-K920 IonicContact OE1-NZ 2.63Å; E916-K920 PolarHBondContact OE1-NZ 3.35Å |
| 917 | L | 85.1 | Confident | 80.9 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -74.8 | -44.5 | 176.3 | 178.9 | 62.5 | 0 | 0 | 0 | 111.8 | N913 Q914 I915 A919 K920 T921 | N913-L917 PolarHBondContact O-N 3.1Å; N913-L917 VanDerWaalsContact O-N 3.1Å; Q914-L917 WeakPolarHBondContact O-CB 3.45Å; Q914-L917 PolarHBondContact O-N 2.67Å; Q914-L917 VanDerWaalsContact O-N 3.08Å; I915-L917 PolarHBondContact O-N 2.95Å; L917-A919 VanDerWaalsContact C-N 3.33Å; L917-A919 PolarHBondContact O-N 3.47Å; L917-K920 PolarHBondContact O-N 3.49Å; L917-T921 PolarHBondContact O-N 2.85Å; L917-T921 PolarHBondContact O-OG1 3.21Å |
| 918 | D | 84.6 | Confident | 81.3 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 179.2 | -65.2 | -22 | 0 | 0 | 0 | 110.8 | Q914 K920 T921 L922 L975 R978 | Q914-D918 PolarHBondContact NE2-OD1 3.3Å; Q914-D918 WeakPolarHBondContact O-CB 3.43Å; Q914-D918 PolarHBondContact O-N 3.47Å; D918-K920 PolarHBondContact O-N 3.5Å; D918-T921 PolarHBondContact O-N 2.89Å; D918-L922 WeakPolarHBondContact O-CB 3.47Å; D918-L922 PolarHBondContact O-N 3Å; D918-L975 HydrophobicContact CB-CD1 4.37Å; D918-L975 HydrophobicContact CB-CD2 3.91Å; D918-L975 HydrophobicContact CB-CG 4.38Å; D918-R978 IonicContact OD2-CZ 2.78Å; D918-R978 IonicContact OD2-NH1 2.7Å; D918-R978 PolarHBondContact OD2-NH1 2.94Å; D918-R978 IonicContact OD2-NH2 3.15Å |
| 919 | A | 83.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | I880 L884 I915 L917 N923 L975 | I880-A919 HydrophobicContact CG2-CB 4.34Å; L884-A919 HydrophobicContact CD2-CB 3.91Å; L884-A919 HydrophobicContact CG-CB 4.18Å; I915-A919 VanDerWaalsContact O-CB 3.3Å; I915-A919 WeakPolarHBondContact O-CB 3.23Å; I915-A919 PolarHBondContact O-N 3.34Å; L917-A919 VanDerWaalsContact C-N 3.33Å; L917-A919 PolarHBondContact O-N 3.47Å; A919-N923 PolarHBondContact O-N 2.92Å; A919-L975 HydrophobicContact CB-CD2 4.13Å |
| 920 | K | 84.1 | Confident | 81.5 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 41% | 0.409 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.1 | -46.1 | 175.6 | -70.6 | 166.5 | -169.6 | 166.3 | 0 | 111.4 | E916 L917 D918 L922 N923 E924 | E916-K920 WeakPolarHBondContact O-CD 3.13Å; E916-K920 WeakPolarHBondContact O-CG 3.46Å; E916-K920 PolarHBondContact O-N 3.47Å; E916-K920 IonicContact OE1-NZ 2.63Å; E916-K920 PolarHBondContact OE1-NZ 3.35Å; L917-K920 PolarHBondContact O-N 3.49Å; D918-K920 PolarHBondContact O-N 3.5Å; K920-L922 VanDerWaalsContact C-N 3.27Å; K920-L922 PolarHBondContact O-N 2.8Å; K920-N923 WeakPolarHBondContact O-CB 3.23Å; K920-N923 PolarHBondContact O-N 3.36Å; K920-N923 VanDerWaalsContact O-N 3.09Å; K920-E924 PolarHBondContact O-N 2.94Å; K920-E924 VanDerWaalsContact O-N 3.14Å |
| 921 | T | 84.4 | Confident | 81.1 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.6 | -41.2 | 177.5 | -51 | 0 | 0 | 0 | 0 | 111.3 | L917 D918 E924 S925 | L917-T921 PolarHBondContact O-N 2.85Å; L917-T921 PolarHBondContact O-OG1 3.21Å; D918-T921 PolarHBondContact O-N 2.89Å; T921-E924 PolarHBondContact O-N 2.83Å; T921-S925 PolarHBondContact O-N 3.49Å |
| 922 | L | 86 | Confident | 80.5 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.7 | -174.5 | 60.7 | 0 | 0 | 0 | 113 | I880 D918 K920 E924 S925 F926 D968 K971 L972 L975 | I880-L922 HydrophobicContact CD1-CB 4.4Å; I880-L922 HydrophobicContact CD1-CD2 4.17Å; I880-L922 HydrophobicContact CD1-CG 4.04Å; D918-L922 WeakPolarHBondContact O-CB 3.47Å; D918-L922 PolarHBondContact O-N 3Å; K920-L922 VanDerWaalsContact C-N 3.27Å; K920-L922 PolarHBondContact O-N 2.8Å; L922-E924 VanDerWaalsContact C-N 3.31Å; L922-E924 PolarHBondContact O-N 2.86Å; L922-S925 WeakPolarHBondContact O-CB 3.28Å; L922-S925 PolarHBondContact O-N 3.38Å; L922-F926 HydrophobicContact CD1-CD2 4.32Å; L922-F926 HydrophobicContact CD1-CE2 3.93Å; L922-F926 HydrophobicContact CD2-CE2 4.16Å; L922-F926 HydrophobicContact CG-CD2 4.07Å; L922-F926 HydrophobicContact CG-CE2 3.77Å; L922-F926 WeakPolarHBondContact O-CD2 3.5Å; L922-F926 PolarHBondContact O-N 2.92Å; L922-F926 VanDerWaalsContact O-N 3.1Å; L922-D968 HydrophobicContact CD1-CB 3.78Å; L922-K971 HydrophobicContact CD1-CB 3.86Å; L922-K971 HydrophobicContact CD1-CD 3.89Å; L922-K971 HydrophobicContact CD2-CB 4.14Å; L922-L972 HydrophobicContact CD2-CB 3.81Å; L922-L972 HydrophobicContact CD2-CD1 3.97Å; L922-L972 HydrophobicContact CD2-CG 4.47Å; L922-L975 HydrophobicContact CB-CD1 4.18Å; L922-L975 HydrophobicContact CD2-CD1 3.59Å |
| 923 | N | 85.3 | Confident | 79.9 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 175.9 | -172.7 | 55.2 | 0 | 0 | 0 | 112.4 | I880 A919 K920 N927 | I880-N923 HydrophobicContact CD1-CB 4.19Å; I880-N923 HydrophobicContact CG2-CB 4.38Å; A919-N923 PolarHBondContact O-N 2.92Å; K920-N923 WeakPolarHBondContact O-CB 3.23Å; K920-N923 PolarHBondContact O-N 3.36Å; K920-N923 VanDerWaalsContact O-N 3.09Å; N923-N927 PolarHBondContact O-N 3.34Å; N923-N927 VanDerWaalsContact O-N 3.17Å; N923-N927 PolarHBondContact O-ND2 2.84Å |
| 924 | E | 83.5 | Confident | 79.1 | Confident | 129 Ų | 129 | 58.7 Ų | 58.7 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.9 | -36.1 | 173.1 | -68.7 | 177.2 | 179.4 | 0 | 0 | 112 | K920 T921 L922 N927 T928 | K920-E924 PolarHBondContact O-N 2.94Å; K920-E924 VanDerWaalsContact O-N 3.14Å; T921-E924 PolarHBondContact O-N 2.83Å; L922-E924 VanDerWaalsContact C-N 3.31Å; L922-E924 PolarHBondContact O-N 2.86Å; E924-N927 PolarHBondContact O-N 3.32Å; E924-T928 PolarHBondContact O-N 2.81Å; E924-T928 PolarHBondContact O-OG1 3.43Å |
| 925 | S | 82.5 | Confident | 78.1 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 22% | 0.217 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 173.2 | -156 | 0 | 0 | 0 | 0 | 111.9 | T921 L922 N927 T928 M929 D968 | T921-S925 PolarHBondContact O-N 3.49Å; L922-S925 WeakPolarHBondContact O-CB 3.28Å; L922-S925 PolarHBondContact O-N 3.38Å; S925-N927 VanDerWaalsContact C-N 3.29Å; S925-N927 PolarHBondContact O-N 2.81Å; S925-T928 WeakPolarHBondContact O-CB 3.28Å; S925-T928 PolarHBondContact O-N 2.95Å; S925-T928 VanDerWaalsContact O-N 3.09Å; S925-M929 WeakPolarHBondContact O-CB 3.44Å; S925-M929 PolarHBondContact O-N 2.86Å; S925-D968 VanDerWaalsContact CB-OD2 3.24Å; S925-D968 WeakPolarHBondContact CB-OD2 3.31Å; S925-D968 PolarHBondContact OG-OD1 3.05Å; S925-D968 PolarHBondContact OG-OD2 2.95Å |
| 926 | F | 83 | Confident | 76.9 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -33.6 | 175.4 | -78.1 | -64.5 | 0 | 0 | 0 | 113.4 | C876 I880 L922 M929 K930 D968 | C876-F926 HydrophobicContact CB-CD1 4.25Å; C876-F926 HydrophobicContact CB-CD2 4.25Å; C876-F926 HydrophobicContact CB-CE1 3.85Å; C876-F926 HydrophobicContact CB-CE2 3.85Å; C876-F926 HydrophobicContact CB-CG 4.45Å; C876-F926 HydrophobicContact CB-CZ 3.64Å; I880-F926 HydrophobicContact CD1-CD2 3.82Å; I880-F926 HydrophobicContact CD1-CE2 4.01Å; L922-F926 HydrophobicContact CD1-CD2 4.32Å; L922-F926 HydrophobicContact CD1-CE2 3.93Å; L922-F926 HydrophobicContact CD2-CE2 4.16Å; L922-F926 HydrophobicContact CG-CD2 4.07Å; L922-F926 HydrophobicContact CG-CE2 3.77Å; L922-F926 WeakPolarHBondContact O-CD2 3.5Å; L922-F926 PolarHBondContact O-N 2.92Å; L922-F926 VanDerWaalsContact O-N 3.1Å; F926-M929 HydrophobicContact CD1-SD 4.4Å; F926-K930 WeakPolarHBondContact O-CB 3.45Å; F926-K930 PolarHBondContact O-N 3.33Å; F926-K930 VanDerWaalsContact O-N 3.08Å; F926-D968 HydrophobicContact CE1-CB 4.09Å; F926-D968 HydrophobicContact CE2-CB 4.29Å; F926-D968 HydrophobicContact CZ-CB 3.84Å |
| 927 | N | 79.7 | Confident | 75.6 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.1 | -35.2 | 173.9 | -75.9 | -50.9 | 0 | 0 | 0 | 112.6 | Q877 N923 E924 S925 K930 H931 | Q877-N927 PolarHBondContact NE2-OD1 3.24Å; Q877-N927 VanDerWaalsContact NE2-OD1 3.08Å; N923-N927 PolarHBondContact O-N 3.34Å; N923-N927 VanDerWaalsContact O-N 3.17Å; N923-N927 PolarHBondContact O-ND2 2.84Å; E924-N927 PolarHBondContact O-N 3.32Å; S925-N927 VanDerWaalsContact C-N 3.29Å; S925-N927 PolarHBondContact O-N 2.81Å; N927-K930 WeakPolarHBondContact O-CB 3.21Å; N927-K930 PolarHBondContact O-N 3.41Å; N927-H931 PolarHBondContact O-CD2 2.88Å; N927-H931 PolarHBondContact O-N 2.88Å |
| 928 | T | 77.7 | Confident | 74.1 | Confident | 85 Ų | 85 | 65.5 Ų | 65.5 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.2 | -45 | 175.9 | -54.3 | 0 | 0 | 0 | 0 | 111 | E924 S925 K930 H931 L932 | E924-T928 PolarHBondContact O-N 2.81Å; E924-T928 PolarHBondContact O-OG1 3.43Å; S925-T928 WeakPolarHBondContact O-CB 3.28Å; S925-T928 PolarHBondContact O-N 2.95Å; S925-T928 VanDerWaalsContact O-N 3.09Å; T928-K930 VanDerWaalsContact C-N 3.29Å; T928-K930 PolarHBondContact O-N 2.86Å; T928-H931 WeakPolarHBondContact O-CB 3.29Å; T928-H931 PolarHBondContact O-N 3.23Å; T928-L932 PolarHBondContact O-N 2.9Å |
| 929 | M | 73.1 | Confident | 72.4 | Confident | 13 Ų | 13 | 68 Ų | 68 | 6% | 0.064 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 174.3 | -173.5 | -179 | -66.4 | 0 | 0 | 112.5 | S925 F926 H931 L932 I933 H964 L965 D968 | S925-M929 WeakPolarHBondContact O-CB 3.44Å; S925-M929 PolarHBondContact O-N 2.86Å; F926-M929 HydrophobicContact CD1-SD 4.4Å; M929-H931 PolarHBondContact O-N 2.9Å; M929-L932 PolarHBondContact O-N 3.47Å; M929-I933 HydrophobicContact CG-CD1 3.73Å; M929-I933 HydrophobicContact CG-CG1 4.39Å; M929-I933 WeakPolarHBondContact O-CG1 3.48Å; M929-I933 PolarHBondContact O-N 3.42Å; M929-H964 HydrophobicContact CE-CB 3.95Å; M929-L965 HydrophobicContact CE-CB 4.1Å; M929-L965 HydrophobicContact CE-CG 4.43Å; M929-L965 HydrophobicContact SD-CB 3.81Å; M929-L965 HydrophobicContact SD-CD1 3.84Å; M929-L965 HydrophobicContact SD-CG 3.62Å; M929-D968 HydrophobicContact CE-CB 4.38Å; M929-D968 WeakPolarHBondContact CE-OD2 3.37Å |
| 930 | K | 73 | Confident | 70.4 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -24.3 | 172.7 | -175.9 | -169.9 | 165.1 | -159.2 | 0 | 113.3 | I873 F926 N927 T928 F934 | I873-K930 HydrophobicContact CD1-CB 4.17Å; I873-K930 HydrophobicContact CD1-CG 4.45Å; F926-K930 WeakPolarHBondContact O-CB 3.45Å; F926-K930 PolarHBondContact O-N 3.33Å; F926-K930 VanDerWaalsContact O-N 3.08Å; N927-K930 WeakPolarHBondContact O-CB 3.21Å; N927-K930 PolarHBondContact O-N 3.41Å; T928-K930 VanDerWaalsContact C-N 3.29Å; T928-K930 PolarHBondContact O-N 2.86Å; K930-F934 HydrophobicContact CG-CD2 4.44Å; K930-F934 HydrophobicContact CG-CE2 4.38Å; K930-F934 WeakPolarHBondContact O-CD2 3.49Å |
| 931 | H | 71.9 | Confident | 68.2 | Low | 149 Ų | 149 | 78.4 Ų | 78.4 | 69% | 0.69 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -79.9 | -46.9 | 171.7 | -86.2 | -79 | 0 | 0 | 0 | 111.8 | N927 T928 M929 F934 S935 | N927-H931 PolarHBondContact O-CD2 2.88Å; N927-H931 PolarHBondContact O-N 2.88Å; T928-H931 WeakPolarHBondContact O-CB 3.29Å; T928-H931 PolarHBondContact O-N 3.23Å; M929-H931 PolarHBondContact O-N 2.9Å; H931-F934 PolarHBondContact O-N 3.45Å; H931-S935 PolarHBondContact O-N 3.35Å |
| 932 | L | 66.5 | Low | 66.2 | Low | 106 Ų | 106 | 81.5 Ų | 81.5 | 56% | 0.555 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.3 | -46.9 | -179.4 | -65.4 | 169.7 | 0 | 0 | 0 | 112.7 | T928 M929 F934 S935 | T928-L932 PolarHBondContact O-N 2.9Å; M929-L932 PolarHBondContact O-N 3.47Å; L932-F934 PolarHBondContact O-N 2.84Å; L932-F934 VanDerWaalsContact O-N 3.13Å; L932-S935 PolarHBondContact O-N 3.27Å; L932-S935 PolarHBondContact O-OG 2.88Å |
| 933 | I | 64.9 | Low | 64.2 | Low | 16 Ų | 16 | 87.3 Ų | 87.3 | 8% | 0.082 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.2 | -21.7 | 179.9 | -66.4 | 173.4 | 0 | 0 | 0 | 112.2 | Y869 M929 F937 | Y869-I933 HydrophobicContact CD1-CD1 4.2Å; Y869-I933 HydrophobicContact CE1-CD1 4.46Å; Y869-I933 HydrophobicContact CG-CG2 4.43Å; M929-I933 HydrophobicContact CG-CD1 3.73Å; M929-I933 HydrophobicContact CG-CG1 4.39Å; M929-I933 WeakPolarHBondContact O-CG1 3.48Å; M929-I933 PolarHBondContact O-N 3.42Å; I933-F937 WeakPolarHBondContact O-CD2 3.48Å |
| 934 | F | 63.5 | Low | 62.6 | Low | 57 Ų | 57 | 88.8 Ų | 88.8 | 25% | 0.25 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -101.2 | -7.5 | -175.8 | -78.4 | -105.6 | 0 | 0 | 0 | 114.3 | R866 Q870 K930 H931 L932 | R866-F934 HydrophobicContact CG-CE1 4.23Å; Q870-F934 HydrophobicContact CB-CZ 4.37Å; Q870-F934 HydrophobicContact CG-CZ 4.48Å; K930-F934 HydrophobicContact CG-CD2 4.44Å; K930-F934 HydrophobicContact CG-CE2 4.38Å; K930-F934 WeakPolarHBondContact O-CD2 3.49Å; H931-F934 PolarHBondContact O-N 3.45Å; L932-F934 PolarHBondContact O-N 2.84Å; L932-F934 VanDerWaalsContact O-N 3.13Å |
| 935 | S | 63.3 | Low | 60.6 | Low | 70 Ų | 70 | 83.7 Ų | 83.7 | 49% | 0.49 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -76 | -38 | 171.8 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | H931 L932 | H931-S935 PolarHBondContact O-N 3.35Å; L932-S935 PolarHBondContact O-N 3.27Å; L932-S935 PolarHBondContact O-OG 2.88Å |
| 936 | D | 56.3 | Low | 58.9 | Low | 93 Ų | 93 | 86.5 Ų | 86.5 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -82.9 | -20.1 | -163.9 | -60.4 | 8.7 | 0 | 0 | 0 | 113 | N938 | D936-N938 VanDerWaalsContact C-N 3.26Å; D936-N938 PolarHBondContact O-N 3.32Å |
| 937 | F | 56.6 | Low | 57.4 | Low | 60 Ų | 60 | 89.7 Ų | 89.7 | 26% | 0.263 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -78.2 | 3.2 | -179.7 | -89.2 | -93.4 | 0 | 0 | 0 | 115.1 | C862 I933 W952 | C862-F937 HydrophobicContact CB-CE1 4.28Å; I933-F937 WeakPolarHBondContact O-CD2 3.48Å; F937-W952 AromaticContact CE2-CH2 3.67Å; F937-W952 HydrophobicContact CE2-CH2 3.67Å; F937-W952 AromaticContact CE2-CZ2 3.75Å; F937-W952 HydrophobicContact CE2-CZ2 3.75Å; F937-W952 AromaticContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CZ2 4.18Å; F937-W952 HydrophobicContact CZ-CZ3 4.14Å |
| 938 | N | 52.5 | Low | 56.2 | Low | 138 Ų | 138 | 92.1 Ų | 92.1 | 74% | 0.738 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -114.3 | 14.6 | -167.3 | -90.9 | 10.8 | 0 | 0 | 0 | 115 | D936 | D936-N938 VanDerWaalsContact C-N 3.26Å; D936-N938 PolarHBondContact O-N 3.32Å |
| 939 | A | 48.9 | Very low | 54.8 | Low | 97 Ų | 97 | 89.5 Ų | 89.5 | 80% | 0.802 | 47% | 0.473 | S | S | * | . | trans | -90.4 | 141.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 940 | E | 42 | Very low | 54 | Low | 177 Ų | 177 | 91.7 Ų | 91.7 | 83% | 0.827 | 49% | 0.489 | S | S | * | . | trans | -112.5 | 124.5 | -154.6 | -163.5 | 163.1 | -141.1 | 0 | 0 | 114 | ||||
| 941 | H | 38.7 | Very low | 53.4 | Low | 137 Ų | 137 | 91.5 Ų | 91.5 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | trans | 38.3 | 105.6 | 161.5 | -72.2 | -70.3 | 0 | 0 | 0 | 121.1 | ||||
| 942 | N | 42.3 | Very low | 52.9 | Low | 142 Ų | 142 | 87.3 Ų | 87.3 | 76% | 0.759 | 47% | 0.47 | S | S | * | . | -163.5 | 137.8 | 122.2 | -118.4 | -20.3 | 0 | 0 | 0 | 116.9 | N944 | N942-N944 PolarHBondContact O-N 2.94Š| |||
| 943 | V | 42.3 | Very low | 52.3 | Low | 127 Ų | 127 | 84.7 Ų | 84.7 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 50.9 | -52.3 | 159.2 | -174.8 | 0 | 0 | 0 | 0 | 121.4 | ||
| 944 | N | 51.6 | Low | 52.1 | Low | 84 Ų | 84 | 90 Ų | 90 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | trans | -110 | 49.7 | -166.3 | -123.4 | 5.2 | 0 | 0 | 0 | 114.8 | N942 L946 L948 | N942-N944 PolarHBondContact O-N 2.94Å; N944-L946 PolarHBondContact O-N 2.87Å; N944-L948 WeakPolarHBondContact O-CG 3.36Å; N944-L948 PolarHBondContact O-N 3.35Å | ||
| 945 | S | 42.6 | Very low | 52 | Low | 23 Ų | 23 | 88.5 Ų | 88.5 | 16% | 0.161 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -70 | -29.7 | -165.4 | 54.1 | 0 | 0 | 0 | 0 | 116 | Q855 H858 F949 | Q855-S945 PolarHBondContact OE1-OG 3.05Å; H858-S945 PolarHBondContact CE1-O 3.09Å; H858-S945 VanDerWaalsContact CE1-O 3.23Å; H858-S945 PolarHBondContact ND1-O 3.26Å; S945-F949 WeakPolarHBondContact O-CB 3.37Å; S945-F949 PolarHBondContact O-N 3.44Å |
| 946 | L | 46.4 | Very low | 52.1 | Low | 89 Ų | 89 | 92.8 Ų | 92.8 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75 | -41.7 | 179.8 | -149.7 | 90.8 | 0 | 0 | 0 | 112.1 | N944 F949 C950 | N944-L946 PolarHBondContact O-N 2.87Å; L946-F949 WeakPolarHBondContact O-CB 3.46Å; L946-F949 PolarHBondContact O-N 3.45Å; L946-C950 PolarHBondContact O-N 2.85Å; L946-C950 PolarHBondContact O-SG 2.98Å |
| 947 | E | 52.5 | Low | 52.4 | Low | 69 Ų | 69 | 91 Ų | 91 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.9 | -37.7 | 179.3 | -174.3 | 164.4 | -142.1 | 0 | 0 | 111.6 | K554 F949 C950 N951 | K554-E947 WeakPolarHBondContact CE-OE2 3.44Å; K554-E947 IonicContact NZ-OE1 2.79Å; K554-E947 PolarHBondContact NZ-OE1 3.33Å; K554-E947 IonicContact NZ-OE2 2.62Å; K554-E947 PolarHBondContact NZ-OE2 2.85Å; E947-F949 VanDerWaalsContact C-N 3.27Å; E947-F949 PolarHBondContact O-N 2.97Å; E947-C950 PolarHBondContact O-N 2.89Å; E947-N951 VanDerWaalsContact O-CB 3.31Å; E947-N951 WeakPolarHBondContact O-CB 3.42Å; E947-N951 VanDerWaalsContact O-CG 3.26Å; E947-N951 PolarHBondContact O-N 2.62Å; E947-N951 PolarHBondContact O-ND2 3.23Å |
| 948 | L | 54 | Low | 52.8 | Low | 110 Ų | 110 | 90.7 Ų | 90.7 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.2 | -34 | 169.3 | -76.4 | 168.2 | 0 | 0 | 0 | 112.5 | N944 W952 | N944-L948 WeakPolarHBondContact O-CG 3.36Å; N944-L948 PolarHBondContact O-N 3.35Å; L948-W952 WeakPolarHBondContact O-CB 3.49Å; L948-W952 PolarHBondContact O-N 2.74Å |
| 949 | F | 48.8 | Very low | 53.5 | Low | 31 Ų | 31 | 87.4 Ų | 87.4 | 14% | 0.136 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.6 | -43.5 | 173.6 | -179.2 | -105.8 | 0 | 0 | 0 | 112.2 | I861 S945 L946 E947 W952 L953 | I861-F949 HydrophobicContact CG2-CE1 3.88Å; I861-F949 HydrophobicContact CG2-CE2 4.18Å; I861-F949 HydrophobicContact CG2-CZ 3.54Å; S945-F949 WeakPolarHBondContact O-CB 3.37Å; S945-F949 PolarHBondContact O-N 3.44Å; L946-F949 WeakPolarHBondContact O-CB 3.46Å; L946-F949 PolarHBondContact O-N 3.45Å; E947-F949 VanDerWaalsContact C-N 3.27Å; E947-F949 PolarHBondContact O-N 2.97Å; F949-W952 HydrophobicContact CE2-CE3 4.4Å; F949-W952 PolarHBondContact O-N 3.47Å; F949-L953 HydrophobicContact CD1-CD1 4.03Å; F949-L953 HydrophobicContact CE1-CD1 3.56Å; F949-L953 HydrophobicContact CE1-CG 4.3Å; F949-L953 HydrophobicContact CZ-CD1 3.92Å; F949-L953 HydrophobicContact CZ-CD2 4.48Å; F949-L953 HydrophobicContact CZ-CG 4.29Å; F949-L953 WeakPolarHBondContact O-CG 3.44Å; F949-L953 PolarHBondContact O-N 2.94Å |
| 950 | C | 56.3 | Low | 54.6 | Low | 59 Ų | 59 | 85.8 Ų | 85.8 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 172.5 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | L946 E947 W952 L953 N954 | L946-C950 PolarHBondContact O-N 2.85Å; L946-C950 PolarHBondContact O-SG 2.98Å; E947-C950 PolarHBondContact O-N 2.89Å; C950-W952 VanDerWaalsContact C-N 3.33Å; C950-W952 PolarHBondContact O-N 2.69Å; C950-L953 PolarHBondContact O-N 2.89Å; C950-N954 WeakPolarHBondContact O-CB 3.39Å; C950-N954 VanDerWaalsContact O-CG 3.25Å; C950-N954 PolarHBondContact O-N 2.67Å; C950-N954 PolarHBondContact O-ND2 2.77Å |
| 951 | N | 59.5 | Low | 55.7 | Low | 88 Ų | 88 | 79.2 Ų | 79.2 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.3 | -30.2 | 177.4 | -71 | -16 | 0 | 0 | 0 | 112.2 | E947 N954 S955 | E947-N951 VanDerWaalsContact O-CB 3.31Å; E947-N951 WeakPolarHBondContact O-CB 3.42Å; E947-N951 VanDerWaalsContact O-CG 3.26Å; E947-N951 PolarHBondContact O-N 2.62Å; E947-N951 PolarHBondContact O-ND2 3.23Å; N951-N954 CarbonylContact O-C 3.58Å; N951-S955 WeakPolarHBondContact O-CA 3.36Å; N951-S955 VanDerWaalsContact O-CB 3.31Å; N951-S955 WeakPolarHBondContact O-CB 3.45Å; N951-S955 PolarHBondContact O-N 2.66Å |
| 952 | W | 61.6 | Low | 57.1 | Low | 61 Ų | 61 | 74.3 Ų | 74.3 | 23% | 0.231 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 168.7 | -177.5 | 76.9 | 0 | 0 | 0 | 111.7 | F937 L948 F949 C950 N954 S955 Y958 | F937-W952 AromaticContact CE2-CH2 3.67Å; F937-W952 HydrophobicContact CE2-CH2 3.67Å; F937-W952 AromaticContact CE2-CZ2 3.75Å; F937-W952 HydrophobicContact CE2-CZ2 3.75Å; F937-W952 AromaticContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CZ2 4.18Å; F937-W952 HydrophobicContact CZ-CZ3 4.14Å; L948-W952 WeakPolarHBondContact O-CB 3.49Å; L948-W952 PolarHBondContact O-N 2.74Å; F949-W952 HydrophobicContact CE2-CE3 4.4Å; F949-W952 PolarHBondContact O-N 3.47Å; C950-W952 VanDerWaalsContact C-N 3.33Å; C950-W952 PolarHBondContact O-N 2.69Å; W952-N954 PolarHBondContact O-N 3.26Å; W952-S955 VanDerWaalsContact O-CB 3.26Å; W952-S955 WeakPolarHBondContact O-CB 3.5Å; W952-S955 PolarHBondContact O-N 2.69Å; W952-S955 PolarHBondContact O-OG 2.79Å; W952-Y958 HydrophobicContact CD2-CD2 4.34Å; W952-Y958 AromaticContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CE2 4.47Å; W952-Y958 AromaticContact CH2-CD2 3.54Å; W952-Y958 HydrophobicContact CH2-CD2 3.54Å; W952-Y958 AromaticContact CH2-CE2 3.9Å; W952-Y958 HydrophobicContact CH2-CE2 3.9Å; W952-Y958 AromaticContact CZ2-CD2 3.93Å; W952-Y958 HydrophobicContact CZ2-CD2 3.93Å; W952-Y958 AromaticContact CZ3-CD2 3.55Å; W952-Y958 HydrophobicContact CZ3-CD2 3.55Å; W952-Y958 AromaticContact CZ3-CE2 3.77Å; W952-Y958 HydrophobicContact CZ3-CE2 3.77Å; W952-Y958 WeakPolarHBondContact O-CB 3.38Å |
| 953 | L | 53.5 | Low | 58.7 | Low | 51 Ų | 51 | 71.4 Ų | 71.4 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.8 | -32.5 | 174.2 | -70.7 | 175.3 | 0 | 0 | 0 | 113 | F949 C950 Y958 | F949-L953 HydrophobicContact CD1-CD1 4.03Å; F949-L953 HydrophobicContact CE1-CD1 3.56Å; F949-L953 HydrophobicContact CE1-CG 4.3Å; F949-L953 HydrophobicContact CZ-CD1 3.92Å; F949-L953 HydrophobicContact CZ-CD2 4.48Å; F949-L953 HydrophobicContact CZ-CG 4.29Å; F949-L953 WeakPolarHBondContact O-CG 3.44Å; F949-L953 PolarHBondContact O-N 2.94Å; C950-L953 PolarHBondContact O-N 2.89Å; L953-Y958 HydrophobicContact CD2-CD2 4.16Å; L953-Y958 HydrophobicContact CD2-CE1 4.11Å; L953-Y958 HydrophobicContact CD2-CE2 3.68Å; L953-Y958 WeakPolarHBondContact O-CD1 3.09Å |
| 954 | N | 61 | Low | 60.3 | Low | 126 Ų | 126 | 69.9 Ų | 69.9 | 67% | 0.674 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5 | 174.5 | -67 | -25.3 | 0 | 0 | 0 | 113.6 | C950 N951 W952 | C950-N954 WeakPolarHBondContact O-CB 3.39Å; C950-N954 VanDerWaalsContact O-CG 3.25Å; C950-N954 PolarHBondContact O-N 2.67Å; C950-N954 PolarHBondContact O-ND2 2.77Å; N951-N954 CarbonylContact O-C 3.58Å; W952-N954 PolarHBondContact O-N 3.26Å |
| 955 | S | 61.9 | Low | 61.4 | Low | 27 Ų | 27 | 66.5 Ų | 66.5 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -75.4 | 150.2 | -172.6 | 71.2 | 0 | 0 | 0 | 0 | 112.8 | N951 W952 S957 Y958 T959 | N951-S955 WeakPolarHBondContact O-CA 3.36Å; N951-S955 VanDerWaalsContact O-CB 3.31Å; N951-S955 WeakPolarHBondContact O-CB 3.45Å; N951-S955 PolarHBondContact O-N 2.66Å; W952-S955 VanDerWaalsContact O-CB 3.26Å; W952-S955 WeakPolarHBondContact O-CB 3.5Å; W952-S955 PolarHBondContact O-N 2.69Å; W952-S955 PolarHBondContact O-OG 2.79Å; S955-S957 PolarHBondContact O-N 3.31Å; S955-S957 PolarHBondContact OG-OG 3.43Å; S955-S957 VanDerWaalsContact OG-OG 3.07Å; S955-Y958 PolarHBondContact O-N 3.48Å; S955-Y958 VanDerWaalsContact O-N 3.16Å; S955-Y958 PolarHBondContact OG-N 3.5Å; S955-Y958 VanDerWaalsContact OG-N 3.1Å; S955-T959 PolarHBondContact O-N 2.76Å; S955-T959 PolarHBondContact O-OG1 3.04Å |
| 956 | E | 64.8 | Low | 63.2 | Low | 160 Ų | 160 | 71.3 Ų | 71.3 | 75% | 0.748 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.5 | -25.1 | 172.8 | -166 | 176.4 | -166.5 | 0 | 0 | 112.4 | T959 T960 | E956-T959 WeakPolarHBondContact CA-OG1 3.26Å; E956-T959 PolarHBondContact O-OG1 2.65Å; E956-T960 WeakPolarHBondContact O-CB 3.35Å; E956-T960 PolarHBondContact O-N 2.86Å; E956-T960 PolarHBondContact O-OG1 2.68Å |
| 957 | S | 62.1 | Low | 64.8 | Low | 55 Ų | 55 | 71.8 Ų | 71.8 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.4 | -37.3 | 174.9 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | S955 S961 | S955-S957 PolarHBondContact O-N 3.31Å; S955-S957 PolarHBondContact OG-OG 3.43Å; S955-S957 VanDerWaalsContact OG-OG 3.07Å; S957-S961 WeakPolarHBondContact O-CB 3.26Å; S957-S961 PolarHBondContact O-N 2.95Å; S957-S961 PolarHBondContact O-OG 2.85Å |
| 958 | Y | 64.6 | Low | 66.2 | Low | 53 Ų | 53 | 68.5 Ų | 68.5 | 21% | 0.208 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.4 | -45.5 | 172.4 | 178.3 | -93.6 | 0 | 0 | 0 | 111.8 | Y869 W952 L953 S955 S961 T962 | Y869-Y958 VanDerWaalsContact OH-CE2 3.25Å; Y869-Y958 WeakPolarHBondContact OH-CE2 3.18Å; W952-Y958 HydrophobicContact CD2-CD2 4.34Å; W952-Y958 AromaticContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CE2 4.47Å; W952-Y958 AromaticContact CH2-CD2 3.54Å; W952-Y958 HydrophobicContact CH2-CD2 3.54Å; W952-Y958 AromaticContact CH2-CE2 3.9Å; W952-Y958 HydrophobicContact CH2-CE2 3.9Å; W952-Y958 AromaticContact CZ2-CD2 3.93Å; W952-Y958 HydrophobicContact CZ2-CD2 3.93Å; W952-Y958 AromaticContact CZ3-CD2 3.55Å; W952-Y958 HydrophobicContact CZ3-CD2 3.55Å; W952-Y958 AromaticContact CZ3-CE2 3.77Å; W952-Y958 HydrophobicContact CZ3-CE2 3.77Å; W952-Y958 WeakPolarHBondContact O-CB 3.38Å; L953-Y958 HydrophobicContact CD2-CD2 4.16Å; L953-Y958 HydrophobicContact CD2-CE1 4.11Å; L953-Y958 HydrophobicContact CD2-CE2 3.68Å; L953-Y958 WeakPolarHBondContact O-CD1 3.09Å; S955-Y958 PolarHBondContact O-N 3.48Å; S955-Y958 VanDerWaalsContact O-N 3.16Å; S955-Y958 PolarHBondContact OG-N 3.5Å; S955-Y958 VanDerWaalsContact OG-N 3.1Å; Y958-S961 PolarHBondContact O-N 2.77Å; Y958-T962 VanDerWaalsContact O-CB 3.28Å; Y958-T962 WeakPolarHBondContact O-CB 3.47Å; Y958-T962 PolarHBondContact O-N 2.81Å; Y958-T962 PolarHBondContact O-OG1 2.8Å |
| 959 | T | 69 | Low | 67.5 | Low | 69 Ų | 69 | 65.4 Ų | 65.4 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 176.6 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | S955 E956 S961 T962 D963 | S955-T959 PolarHBondContact O-N 2.76Å; S955-T959 PolarHBondContact O-OG1 3.04Å; E956-T959 WeakPolarHBondContact CA-OG1 3.26Å; E956-T959 PolarHBondContact O-OG1 2.65Å; T959-S961 PolarHBondContact O-N 2.93Å; T959-T962 CarbonylContact O-C 3.56Å; T959-T962 PolarHBondContact O-N 3.34Å; T959-D963 VanDerWaalsContact O-CB 3.3Å; T959-D963 WeakPolarHBondContact O-CB 3.19Å; T959-D963 PolarHBondContact O-N 2.96Å |
| 960 | T | 70.3 | Confident | 69.1 | Low | 63 Ų | 63 | 68.5 Ų | 68.5 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 112.6 | E956 D963 H964 | E956-T960 WeakPolarHBondContact O-CB 3.35Å; E956-T960 PolarHBondContact O-N 2.86Å; E956-T960 PolarHBondContact O-OG1 2.68Å; T960-D963 PolarHBondContact O-N 3.41Å; T960-H964 WeakPolarHBondContact O-CB 3.22Å; T960-H964 PolarHBondContact O-CD2 2.86Å; T960-H964 PolarHBondContact O-N 3.39Å |
| 961 | S | 66.2 | Low | 70.4 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.5 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | S957 Y958 T959 H964 L965 | S957-S961 WeakPolarHBondContact O-CB 3.26Å; S957-S961 PolarHBondContact O-N 2.95Å; S957-S961 PolarHBondContact O-OG 2.85Å; Y958-S961 PolarHBondContact O-N 2.77Å; T959-S961 PolarHBondContact O-N 2.93Å; S961-H964 PolarHBondContact O-N 3.26Å; S961-L965 WeakPolarHBondContact O-CB 3.49Å; S961-L965 PolarHBondContact O-N 2.89Å |
| 962 | T | 68.5 | Low | 71.6 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 177.3 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | Y958 T959 L965 F966 | Y958-T962 VanDerWaalsContact O-CB 3.28Å; Y958-T962 WeakPolarHBondContact O-CB 3.47Å; Y958-T962 PolarHBondContact O-N 2.81Å; Y958-T962 PolarHBondContact O-OG1 2.8Å; T959-T962 CarbonylContact O-C 3.56Å; T959-T962 PolarHBondContact O-N 3.34Å; T962-L965 WeakPolarHBondContact O-CB 3.09Å; T962-L965 PolarHBondContact O-N 3.18Å; T962-F966 HydrophobicContact CG2-CD2 3.99Å; T962-F966 HydrophobicContact CG2-CE2 4.09Å; T962-F966 WeakPolarHBondContact O-CD2 3.35Å; T962-F966 PolarHBondContact O-N 2.99Å |
| 963 | D | 75.3 | Confident | 72.5 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.5 | -122.7 | 40.5 | 0 | 0 | 0 | 111.7 | T959 T960 L965 F966 K967 | T959-D963 VanDerWaalsContact O-CB 3.3Å; T959-D963 WeakPolarHBondContact O-CB 3.19Å; T959-D963 PolarHBondContact O-N 2.96Å; T960-D963 PolarHBondContact O-N 3.41Å; D963-L965 VanDerWaalsContact C-N 3.35Å; D963-F966 PolarHBondContact O-N 3.03Å; D963-K967 WeakPolarHBondContact O-CB 3.37Å; D963-K967 VanDerWaalsContact O-CD 3.27Å; D963-K967 WeakPolarHBondContact O-CD 3.24Å; D963-K967 WeakPolarHBondContact O-CG 3.38Å; D963-K967 PolarHBondContact O-N 3.31Å; D963-K967 VanDerWaalsContact OD2-CE 3.31Å; D963-K967 WeakPolarHBondContact OD2-CE 2.98Å; D963-K967 IonicContact OD2-NZ 2.71Å; D963-K967 PolarHBondContact OD2-NZ 3.21Å |
| 964 | H | 75.5 | Confident | 73.9 | Confident | 95 Ų | 95 | 69.4 Ų | 69.4 | 44% | 0.44 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 172 | -93.1 | -95.5 | 0 | 0 | 0 | 111.3 | M929 T960 S961 K967 D968 | M929-H964 HydrophobicContact CE-CB 3.95Å; T960-H964 WeakPolarHBondContact O-CB 3.22Å; T960-H964 PolarHBondContact O-CD2 2.86Å; T960-H964 PolarHBondContact O-N 3.39Å; S961-H964 PolarHBondContact O-N 3.26Å; H964-K967 PolarHBondContact O-N 3.05Å; H964-D968 WeakPolarHBondContact O-CB 3.37Å; H964-D968 PolarHBondContact O-N 3.42Å |
| 965 | L | 75.5 | Confident | 75 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.9 | -152.8 | 158.5 | 0 | 0 | 0 | 111.4 | Y869 L872 M929 S961 T962 D963 D968 L969 | Y869-L965 HydrophobicContact CD1-CD1 4.09Å; Y869-L965 HydrophobicContact CE1-CD1 4.01Å; L872-L965 HydrophobicContact CD2-CD1 4.31Å; L872-L965 HydrophobicContact CD2-CD2 3.8Å; M929-L965 HydrophobicContact CE-CB 4.1Å; M929-L965 HydrophobicContact CE-CG 4.43Å; M929-L965 HydrophobicContact SD-CB 3.81Å; M929-L965 HydrophobicContact SD-CD1 3.84Å; M929-L965 HydrophobicContact SD-CG 3.62Å; S961-L965 WeakPolarHBondContact O-CB 3.49Å; S961-L965 PolarHBondContact O-N 2.89Å; T962-L965 WeakPolarHBondContact O-CB 3.09Å; T962-L965 PolarHBondContact O-N 3.18Å; D963-L965 VanDerWaalsContact C-N 3.35Å; L965-D968 PolarHBondContact O-N 2.88Å; L965-L969 HydrophobicContact CD2-CD1 3.57Å; L965-L969 HydrophobicContact CD2-CG 4Å; L965-L969 WeakPolarHBondContact O-CB 3.47Å; L965-L969 WeakPolarHBondContact O-CG 3.39Å; L965-L969 PolarHBondContact O-N 2.93Å |
| 966 | F | 78.9 | Confident | 76 | Confident | 124 Ų | 124 | 63.6 Ų | 63.6 | 54% | 0.544 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 170.9 | -92.1 | -72.9 | 0 | 0 | 0 | 112.9 | T962 D963 D968 L969 N970 | T962-F966 HydrophobicContact CG2-CD2 3.99Å; T962-F966 HydrophobicContact CG2-CE2 4.09Å; T962-F966 WeakPolarHBondContact O-CD2 3.35Å; T962-F966 PolarHBondContact O-N 2.99Å; D963-F966 PolarHBondContact O-N 3.03Å; F966-D968 VanDerWaalsContact C-N 3.32Å; F966-D968 PolarHBondContact O-N 3.37Å; F966-L969 PolarHBondContact O-N 3.13Å; F966-N970 WeakPolarHBondContact O-CB 3.15Å; F966-N970 PolarHBondContact O-N 3.36Å; F966-N970 PolarHBondContact O-ND2 3.48Å |
| 967 | K | 81.7 | Confident | 76.9 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.3 | -74.7 | 157.8 | -165.5 | 158.9 | 0 | 111 | D963 H964 K971 | D963-K967 WeakPolarHBondContact O-CB 3.37Å; D963-K967 VanDerWaalsContact O-CD 3.27Å; D963-K967 WeakPolarHBondContact O-CD 3.24Å; D963-K967 WeakPolarHBondContact O-CG 3.38Å; D963-K967 PolarHBondContact O-N 3.31Å; D963-K967 VanDerWaalsContact OD2-CE 3.31Å; D963-K967 WeakPolarHBondContact OD2-CE 2.98Å; D963-K967 IonicContact OD2-NZ 2.71Å; D963-K967 PolarHBondContact OD2-NZ 3.21Å; H964-K967 PolarHBondContact O-N 3.05Å; K967-K971 VanDerWaalsContact O-CG 3.3Å; K967-K971 WeakPolarHBondContact O-CG 3.32Å; K967-K971 PolarHBondContact O-N 2.9Å |
| 968 | D | 80.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.5 | -32.3 | 178.6 | -73.3 | -11.3 | 0 | 0 | 0 | 113.2 | L922 S925 F926 M929 H964 L965 F966 K971 L972 | L922-D968 HydrophobicContact CD1-CB 3.78Å; S925-D968 VanDerWaalsContact CB-OD2 3.24Å; S925-D968 WeakPolarHBondContact CB-OD2 3.31Å; S925-D968 PolarHBondContact OG-OD1 3.05Å; S925-D968 PolarHBondContact OG-OD2 2.95Å; F926-D968 HydrophobicContact CE1-CB 4.09Å; F926-D968 HydrophobicContact CE2-CB 4.29Å; F926-D968 HydrophobicContact CZ-CB 3.84Å; M929-D968 HydrophobicContact CE-CB 4.38Å; M929-D968 WeakPolarHBondContact CE-OD2 3.37Å; H964-D968 WeakPolarHBondContact O-CB 3.37Å; H964-D968 PolarHBondContact O-N 3.42Å; L965-D968 PolarHBondContact O-N 2.88Å; F966-D968 VanDerWaalsContact C-N 3.32Å; F966-D968 PolarHBondContact O-N 3.37Å; D968-K971 PolarHBondContact O-N 3.29Å; D968-K971 WeakPolarHBondContact OD1-CD 3.3Å; D968-K971 WeakPolarHBondContact OD1-CE 3.31Å; D968-K971 IonicContact OD1-NZ 3.74Å; D968-K971 PolarHBondContact OD1-NZ 2.89Å; D968-L972 WeakPolarHBondContact O-CB 3.47Å; D968-L972 PolarHBondContact O-N 2.78Å |
| 969 | L | 81.1 | Confident | 78.6 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 166.8 | -75.8 | 172.3 | 0 | 0 | 0 | 111.8 | L965 F966 K971 L972 D973 | L965-L969 HydrophobicContact CD2-CD1 3.57Å; L965-L969 HydrophobicContact CD2-CG 4Å; L965-L969 WeakPolarHBondContact O-CB 3.47Å; L965-L969 WeakPolarHBondContact O-CG 3.39Å; L965-L969 PolarHBondContact O-N 2.93Å; F966-L969 PolarHBondContact O-N 3.13Å; L969-K971 VanDerWaalsContact C-N 3.34Å; L969-K971 PolarHBondContact O-N 2.91Å; L969-L972 WeakPolarHBondContact O-CA 3.38Å; L969-L972 WeakPolarHBondContact O-CB 3.18Å; L969-L972 PolarHBondContact O-N 3.49Å; L969-D973 PolarHBondContact O-N 3.26Å |
| 970 | N | 82.1 | Confident | 79.1 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.8 | -79.9 | -60.8 | 0 | 0 | 0 | 111.7 | F966 L972 D973 I974 | F966-N970 WeakPolarHBondContact O-CB 3.15Å; F966-N970 PolarHBondContact O-N 3.36Å; F966-N970 PolarHBondContact O-ND2 3.48Å; N970-L972 VanDerWaalsContact C-N 3.33Å; N970-L972 PolarHBondContact O-N 3.42Å; N970-D973 PolarHBondContact O-N 3.29Å; N970-I974 WeakPolarHBondContact O-CB 3.45Å; N970-I974 WeakPolarHBondContact O-CD1 3.44Å; N970-I974 WeakPolarHBondContact O-CG1 3.35Å; N970-I974 PolarHBondContact O-N 3.48Å |
| 971 | K | 83.9 | Confident | 79.5 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 170.2 | -71.4 | 169.2 | -162 | 164.6 | 0 | 111.7 | L922 K967 D968 L969 I974 L975 | L922-K971 HydrophobicContact CD1-CB 3.86Å; L922-K971 HydrophobicContact CD1-CD 3.89Å; L922-K971 HydrophobicContact CD2-CB 4.14Å; K967-K971 VanDerWaalsContact O-CG 3.3Å; K967-K971 WeakPolarHBondContact O-CG 3.32Å; K967-K971 PolarHBondContact O-N 2.9Å; D968-K971 PolarHBondContact O-N 3.29Å; D968-K971 WeakPolarHBondContact OD1-CD 3.3Å; D968-K971 WeakPolarHBondContact OD1-CE 3.31Å; D968-K971 IonicContact OD1-NZ 3.74Å; D968-K971 PolarHBondContact OD1-NZ 2.89Å; L969-K971 VanDerWaalsContact C-N 3.34Å; L969-K971 PolarHBondContact O-N 2.91Å; K971-I974 PolarHBondContact O-N 3.31Å; K971-L975 WeakPolarHBondContact O-CB 3.33Å; K971-L975 PolarHBondContact O-N 3.31Å |
| 972 | L | 84.4 | Confident | 80 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 179.8 | -173.6 | 53.6 | 0 | 0 | 0 | 112.2 | C876 K879 I880 I883 L922 D968 L969 N970 L975 D976 | C876-L972 HydrophobicContact CB-CD2 4.13Å; K879-L972 HydrophobicContact CB-CD2 4.29Å; K879-L972 HydrophobicContact CD-CD1 4.36Å; K879-L972 HydrophobicContact CD-CD2 4.01Å; K879-L972 HydrophobicContact CD-CG 4Å; K879-L972 HydrophobicContact CG-CD1 4.23Å; K879-L972 HydrophobicContact CG-CD2 4.39Å; K879-L972 HydrophobicContact CG-CG 4.39Å; I880-L972 HydrophobicContact CD1-CD1 4.39Å; I880-L972 HydrophobicContact CG1-CD1 3.53Å; I883-L972 HydrophobicContact CD1-CD1 4.2Å; L922-L972 HydrophobicContact CD2-CB 3.81Å; L922-L972 HydrophobicContact CD2-CD1 3.97Å; L922-L972 HydrophobicContact CD2-CG 4.47Å; D968-L972 WeakPolarHBondContact O-CB 3.47Å; D968-L972 PolarHBondContact O-N 2.78Å; L969-L972 WeakPolarHBondContact O-CA 3.38Å; L969-L972 WeakPolarHBondContact O-CB 3.18Å; L969-L972 PolarHBondContact O-N 3.49Å; N970-L972 VanDerWaalsContact C-N 3.33Å; N970-L972 PolarHBondContact O-N 3.42Å; L972-L975 WeakPolarHBondContact O-CB 3.23Å; L972-L975 PolarHBondContact O-N 2.68Å; L972-D976 WeakPolarHBondContact O-CB 3.5Å; L972-D976 PolarHBondContact O-N 3.43Å |
| 973 | D | 82 | Confident | 80.2 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.5 | -30.7 | 178.4 | -73.3 | -15.9 | 0 | 0 | 0 | 112.4 | K879 L969 N970 L975 D976 I977 | K879-D973 IonicContact NZ-OD1 2.97Å; K879-D973 PolarHBondContact NZ-OD1 2.78Å; L969-D973 PolarHBondContact O-N 3.26Å; N970-D973 PolarHBondContact O-N 3.29Å; D973-L975 VanDerWaalsContact C-N 3.34Å; D973-D976 PolarHBondContact O-N 2.94Å; D973-I977 WeakPolarHBondContact O-CB 3.27Å; D973-I977 WeakPolarHBondContact O-CD1 3.29Å; D973-I977 WeakPolarHBondContact O-CG1 3.38Å; D973-I977 PolarHBondContact O-N 3.18Å |
| 974 | I | 83.1 | Confident | 80.3 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 167.2 | -69.8 | 164.7 | 0 | 0 | 0 | 111 | N970 K971 R978 | N970-I974 WeakPolarHBondContact O-CB 3.45Å; N970-I974 WeakPolarHBondContact O-CD1 3.44Å; N970-I974 WeakPolarHBondContact O-CG1 3.35Å; N970-I974 PolarHBondContact O-N 3.48Å; K971-I974 PolarHBondContact O-N 3.31Å; I974-R978 WeakPolarHBondContact O-CB 3.43Å; I974-R978 WeakPolarHBondContact O-CG 3.3Å; I974-R978 PolarHBondContact O-N 2.7Å |
| 975 | L | 84 | Confident | 80 | Confident | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 174.3 | -98.7 | 156.3 | 0 | 0 | 0 | 112.2 | I915 D918 A919 L922 K971 L972 D973 R978 S979 | I915-L975 HydrophobicContact CG2-CD2 3.79Å; D918-L975 HydrophobicContact CB-CD1 4.37Å; D918-L975 HydrophobicContact CB-CD2 3.91Å; D918-L975 HydrophobicContact CB-CG 4.38Å; A919-L975 HydrophobicContact CB-CD2 4.13Å; L922-L975 HydrophobicContact CB-CD1 4.18Å; L922-L975 HydrophobicContact CD2-CD1 3.59Å; K971-L975 WeakPolarHBondContact O-CB 3.33Å; K971-L975 PolarHBondContact O-N 3.31Å; L972-L975 WeakPolarHBondContact O-CB 3.23Å; L972-L975 PolarHBondContact O-N 2.68Å; D973-L975 VanDerWaalsContact C-N 3.34Å; L975-R978 PolarHBondContact O-N 2.91Å; L975-S979 WeakPolarHBondContact O-CB 3.41Å; L975-S979 PolarHBondContact O-N 3.05Å |
| 976 | D | 81.7 | Confident | 79.6 | Confident | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 175 | -168.4 | 14 | 0 | 0 | 0 | 111 | K879 I883 L972 D973 R978 S979 Q980 | K879-D976 WeakPolarHBondContact CE-OD2 3.49Å; K879-D976 IonicContact NZ-OD2 2.67Å; K879-D976 PolarHBondContact NZ-OD2 3.39Å; I883-D976 HydrophobicContact CD1-CB 4.15Å; L972-D976 WeakPolarHBondContact O-CB 3.5Å; L972-D976 PolarHBondContact O-N 3.43Å; D973-D976 PolarHBondContact O-N 2.94Å; D976-R978 PolarHBondContact O-N 3.35Å; D976-S979 PolarHBondContact O-N 3.39Å; D976-Q980 WeakPolarHBondContact O-CB 3.27Å; D976-Q980 VanDerWaalsContact O-CG 3.26Å; D976-Q980 WeakPolarHBondContact O-CG 3.42Å; D976-Q980 PolarHBondContact O-N 3.5Å; D976-Q980 PolarHBondContact OD1-NE2 2.79Å; D976-Q980 PolarHBondContact OD2-NE2 2.97Å |
| 977 | I | 83.4 | Confident | 79 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 175.7 | -70.1 | 164.6 | 0 | 0 | 0 | 111.7 | D973 T981 | D973-I977 WeakPolarHBondContact O-CB 3.27Å; D973-I977 WeakPolarHBondContact O-CD1 3.29Å; D973-I977 WeakPolarHBondContact O-CG1 3.38Å; D973-I977 PolarHBondContact O-N 3.18Å; I977-T981 VanDerWaalsContact O-CB 3.22Å; I977-T981 WeakPolarHBondContact O-CB 3.46Å; I977-T981 PolarHBondContact O-N 2.65Å; I977-T981 PolarHBondContact O-OG1 2.83Å |
| 978 | R | 84.6 | Confident | 78.3 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 175.6 | -81.9 | 177.2 | 66.7 | -153 | 3.7 | 112 | E911 I915 D918 I974 L975 D976 T981 L982 | E911-R978 IonicContact OE1-CZ 3.61Å; E911-R978 VanDerWaalsContact OE1-CZ 3.25Å; E911-R978 IonicContact OE1-NE 3.25Å; E911-R978 PolarHBondContact OE1-NE 3.01Å; E911-R978 IonicContact OE1-NH2 2.69Å; E911-R978 PolarHBondContact OE1-NH2 3.2Å; E911-R978 IonicContact OE2-NH2 3.66Å; I915-R978 HydrophobicContact CD1-CB 3.9Å; I915-R978 HydrophobicContact CG1-CB 4.27Å; D918-R978 IonicContact OD2-CZ 2.78Å; D918-R978 IonicContact OD2-NH1 2.7Å; D918-R978 PolarHBondContact OD2-NH1 2.94Å; D918-R978 IonicContact OD2-NH2 3.15Å; I974-R978 WeakPolarHBondContact O-CB 3.43Å; I974-R978 WeakPolarHBondContact O-CG 3.3Å; I974-R978 PolarHBondContact O-N 2.7Å; L975-R978 PolarHBondContact O-N 2.91Å; D976-R978 PolarHBondContact O-N 3.35Å; R978-T981 PolarHBondContact O-N 2.8Å; R978-L982 WeakPolarHBondContact O-CB 3.48Å; R978-L982 PolarHBondContact O-N 2.8Å |
| 979 | S | 78.7 | Confident | 77.5 | Confident | 15 Ų | 15 | 67.6 Ų | 67.6 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | L975 D976 T981 L982 H983 | L975-S979 WeakPolarHBondContact O-CB 3.41Å; L975-S979 PolarHBondContact O-N 3.05Å; D976-S979 PolarHBondContact O-N 3.39Å; S979-T981 VanDerWaalsContact C-N 3.3Å; S979-T981 PolarHBondContact O-N 3.13Å; S979-L982 PolarHBondContact O-N 3.41Å; S979-H983 WeakPolarHBondContact O-CB 3.5Å; S979-H983 PolarHBondContact O-N 2.78Å |
| 980 | Q | 78.6 | Confident | 76.3 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 175.2 | -69.1 | 176.5 | 35.2 | 0 | 0 | 112.3 | D976 K984 | D976-Q980 WeakPolarHBondContact O-CB 3.27Å; D976-Q980 VanDerWaalsContact O-CG 3.26Å; D976-Q980 WeakPolarHBondContact O-CG 3.42Å; D976-Q980 PolarHBondContact O-N 3.5Å; D976-Q980 PolarHBondContact OD1-NE2 2.79Å; D976-Q980 PolarHBondContact OD2-NE2 2.97Å; Q980-K984 WeakPolarHBondContact O-CB 3.19Å; Q980-K984 PolarHBondContact O-N 2.74Å |
| 981 | T | 80.1 | Confident | 75.2 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.4 | -46.6 | 177.8 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | I977 R978 S979 H983 K984 E985 | I977-T981 VanDerWaalsContact O-CB 3.22Å; I977-T981 WeakPolarHBondContact O-CB 3.46Å; I977-T981 PolarHBondContact O-N 2.65Å; I977-T981 PolarHBondContact O-OG1 2.83Å; R978-T981 PolarHBondContact O-N 2.8Å; S979-T981 VanDerWaalsContact C-N 3.3Å; S979-T981 PolarHBondContact O-N 3.13Å; T981-H983 VanDerWaalsContact C-N 3.33Å; T981-H983 PolarHBondContact O-N 3.26Å; T981-K984 CarbonylContact O-C 3.55Å; T981-K984 WeakPolarHBondContact O-CA 3.33Å; T981-K984 WeakPolarHBondContact O-CB 3.37Å; T981-K984 PolarHBondContact O-N 3.48Å; T981-K984 VanDerWaalsContact O-N 3.12Å; T981-E985 HydrophobicContact CG2-CG 4.49Å; T981-E985 WeakPolarHBondContact O-CG 3.46Å; T981-E985 PolarHBondContact O-N 2.88Å |
| 982 | L | 76.8 | Confident | 73.8 | Confident | 16 Ų | 16 | 74 Ų | 74 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 175.3 | -177.3 | 67.4 | 0 | 0 | 0 | 111.4 | L908 E911 Y912 I915 R978 S979 K984 E985 C986 | L908-L982 HydrophobicContact CD2-CD1 3.61Å; E911-L982 HydrophobicContact CB-CD1 4.24Å; E911-L982 HydrophobicContact CG-CD1 4.08Å; Y912-L982 HydrophobicContact CD2-CD2 4.31Å; I915-L982 HydrophobicContact CD1-CB 4.3Å; I915-L982 HydrophobicContact CD1-CD2 4.02Å; R978-L982 WeakPolarHBondContact O-CB 3.48Å; R978-L982 PolarHBondContact O-N 2.8Å; S979-L982 PolarHBondContact O-N 3.41Å; L982-K984 VanDerWaalsContact C-N 3.34Å; L982-K984 PolarHBondContact O-N 2.63Å; L982-E985 PolarHBondContact O-N 2.68Å; L982-C986 PolarHBondContact O-N 2.74Å; L982-C986 PolarHBondContact O-SG 2.84Å |
| 983 | H | 71.7 | Confident | 72.4 | Confident | 86 Ų | 86 | 78 Ų | 78 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.5 | -171 | 93.5 | 0 | 0 | 0 | 111.8 | S890 S979 T981 C986 I987 | S890-H983 PolarHBondContact OG-ND1 2.84Å; S979-H983 WeakPolarHBondContact O-CB 3.5Å; S979-H983 PolarHBondContact O-N 2.78Å; T981-H983 VanDerWaalsContact C-N 3.33Å; T981-H983 PolarHBondContact O-N 3.26Å; H983-C986 PolarHBondContact O-N 3.41Å; H983-I987 WeakPolarHBondContact O-CG1 3.14Å; H983-I987 PolarHBondContact O-N 2.63Å; H983-I987 VanDerWaalsContact O-N 3.07Å |
| 984 | K | 76.7 | Confident | 70.9 | Confident | 134 Ų | 134 | 80 Ų | 80 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.1 | -32.1 | 174.5 | -173 | 178.5 | -177 | -179.4 | 0 | 112.6 | Q980 T981 L982 N988 | Q980-K984 WeakPolarHBondContact O-CB 3.19Å; Q980-K984 PolarHBondContact O-N 2.74Å; T981-K984 CarbonylContact O-C 3.55Å; T981-K984 WeakPolarHBondContact O-CA 3.33Å; T981-K984 WeakPolarHBondContact O-CB 3.37Å; T981-K984 PolarHBondContact O-N 3.48Å; T981-K984 VanDerWaalsContact O-N 3.12Å; L982-K984 VanDerWaalsContact C-N 3.34Å; L982-K984 PolarHBondContact O-N 2.63Å; K984-N988 VanDerWaalsContact O-CB 3.25Å; K984-N988 WeakPolarHBondContact O-CB 3.42Å; K984-N988 PolarHBondContact O-N 3.35Å; K984-N988 PolarHBondContact O-ND2 2.96Å |
| 985 | E | 71.2 | Confident | 69.5 | Low | 107 Ų | 107 | 79.4 Ų | 79.4 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.5 | -39.3 | 172.9 | -74.6 | -163 | 139.9 | 0 | 0 | 112.3 | T981 L982 I987 N988 H989 | T981-E985 HydrophobicContact CG2-CG 4.49Å; T981-E985 WeakPolarHBondContact O-CG 3.46Å; T981-E985 PolarHBondContact O-N 2.88Å; L982-E985 PolarHBondContact O-N 2.68Å; E985-I987 VanDerWaalsContact C-N 3.33Å; E985-I987 PolarHBondContact O-N 3.33Å; E985-N988 CarbonylContact O-C 3.53Å; E985-N988 PolarHBondContact O-N 3.12Å; E985-N988 VanDerWaalsContact O-N 3.1Å; E985-H989 WeakPolarHBondContact O-CB 3.4Å; E985-H989 PolarHBondContact O-N 2.74Å |
| 986 | C | 66 | Low | 67.7 | Low | 36 Ų | 36 | 84.5 Ų | 84.5 | 24% | 0.243 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 170 | -65 | 0 | 0 | 0 | 0 | 111 | L982 H983 N988 F990 | L982-C986 PolarHBondContact O-N 2.74Å; L982-C986 PolarHBondContact O-SG 2.84Å; H983-C986 PolarHBondContact O-N 3.41Å; C986-N988 VanDerWaalsContact C-N 3.35Å; C986-N988 PolarHBondContact O-N 2.68Å; C986-F990 PolarHBondContact O-N 3.39Å |
| 987 | I | 67 | Low | 66.1 | Low | 73 Ų | 73 | 90 Ų | 90 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 174.3 | -68.9 | 168.4 | 0 | 0 | 0 | 111.9 | H983 E985 F990 K991 | H983-I987 WeakPolarHBondContact O-CG1 3.14Å; H983-I987 PolarHBondContact O-N 2.63Å; H983-I987 VanDerWaalsContact O-N 3.07Å; E985-I987 VanDerWaalsContact C-N 3.33Å; E985-I987 PolarHBondContact O-N 3.33Å; I987-F990 WeakPolarHBondContact O-CB 3.44Å; I987-K991 HydrophobicContact CG2-CD 4.28Å; I987-K991 WeakPolarHBondContact O-CG 3.42Å; I987-K991 PolarHBondContact O-N 2.81Å; I987-K991 VanDerWaalsContact O-N 3.1Å |
| 988 | N | 66.7 | Low | 64.4 | Low | 73 Ų | 73 | 92.9 Ų | 92.9 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.3 | -35.7 | -179.7 | -78.3 | -20.1 | 0 | 0 | 0 | 112.6 | K984 E985 C986 F990 K991 H992 | K984-N988 VanDerWaalsContact O-CB 3.25Å; K984-N988 WeakPolarHBondContact O-CB 3.42Å; K984-N988 PolarHBondContact O-N 3.35Å; K984-N988 PolarHBondContact O-ND2 2.96Å; E985-N988 CarbonylContact O-C 3.53Å; E985-N988 PolarHBondContact O-N 3.12Å; E985-N988 VanDerWaalsContact O-N 3.1Å; C986-N988 VanDerWaalsContact C-N 3.35Å; C986-N988 PolarHBondContact O-N 2.68Å; N988-F990 VanDerWaalsContact C-N 3.3Å; N988-F990 PolarHBondContact O-N 3.43Å; N988-K991 CarbonylContact O-C 3.55Å; N988-K991 PolarHBondContact O-N 3.32Å; N988-K991 VanDerWaalsContact O-N 3.15Å; N988-H992 VanDerWaalsContact O-CB 3.27Å; N988-H992 WeakPolarHBondContact O-CB 3.47Å; N988-H992 PolarHBondContact O-N 3.25Å |
| 989 | H | 63.3 | Low | 62.7 | Low | 90 Ų | 90 | 98.1 Ų | 98.1 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.7 | -157 | -108.1 | 0 | 0 | 0 | 109.8 | E985 K991 H992 S993 | E985-H989 WeakPolarHBondContact O-CB 3.4Å; E985-H989 PolarHBondContact O-N 2.74Å; H989-K991 VanDerWaalsContact C-N 3.33Å; H989-K991 PolarHBondContact O-N 3.28Å; H989-H992 PolarHBondContact O-N 2.91Å; H989-S993 PolarHBondContact O-N 2.97Å |
| 990 | F | 57.1 | Low | 61.4 | Low | 156 Ų | 156 | 104.2 Ų | 104.2 | 68% | 0.684 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.5 | -40.5 | 172.3 | -151.6 | -86.8 | 0 | 0 | 0 | 112.7 | C986 I987 N988 | C986-F990 PolarHBondContact O-N 3.39Å; I987-F990 WeakPolarHBondContact O-CB 3.44Å; N988-F990 VanDerWaalsContact C-N 3.3Å; N988-F990 PolarHBondContact O-N 3.43Å |
| 991 | K | 57.3 | Low | 60.2 | Low | 121 Ų | 121 | 106.3 Ų | 106.3 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.2 | -38.5 | 175.8 | -74.3 | 174.7 | 179.1 | 173 | 0 | 113.9 | I987 N988 H989 S993 I994 V995 | I987-K991 HydrophobicContact CG2-CD 4.28Å; I987-K991 WeakPolarHBondContact O-CG 3.42Å; I987-K991 PolarHBondContact O-N 2.81Å; I987-K991 VanDerWaalsContact O-N 3.1Å; N988-K991 CarbonylContact O-C 3.55Å; N988-K991 PolarHBondContact O-N 3.32Å; N988-K991 VanDerWaalsContact O-N 3.15Å; H989-K991 VanDerWaalsContact C-N 3.33Å; H989-K991 PolarHBondContact O-N 3.28Å; K991-S993 VanDerWaalsContact C-N 3.34Å; K991-S993 PolarHBondContact O-N 2.88Å; K991-I994 WeakPolarHBondContact O-CB 3.47Å; K991-I994 PolarHBondContact O-N 3.19Å; K991-I994 VanDerWaalsContact O-N 3.09Å; K991-V995 PolarHBondContact O-N 3.45Å |
| 992 | H | 54.7 | Low | 58.7 | Low | 97 Ų | 97 | 108 Ų | 108 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.2 | -26.9 | -169.5 | -150.3 | -49.1 | 0 | 0 | 0 | 112 | N988 H989 I994 V995 H996 | N988-H992 VanDerWaalsContact O-CB 3.27Å; N988-H992 WeakPolarHBondContact O-CB 3.47Å; N988-H992 PolarHBondContact O-N 3.25Å; H989-H992 PolarHBondContact O-N 2.91Å; H992-I994 PolarHBondContact O-N 3.1Å; H992-V995 PolarHBondContact O-N 3.14Å; H992-H996 PolarHBondContact O-N 3.3Å; H992-H996 VanDerWaalsContact O-N 3.07Å |
| 993 | S | 55.5 | Low | 57.6 | Low | 90 Ų | 90 | 112.9 Ų | 112.9 | 63% | 0.629 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.1 | -33.7 | 166.3 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | H989 K991 | H989-S993 PolarHBondContact O-N 2.97Å; K991-S993 VanDerWaalsContact C-N 3.34Å; K991-S993 PolarHBondContact O-N 2.88Å |
| 994 | I | 51 | Low | 56.7 | Low | 118 Ų | 118 | 115.9 Ų | 115.9 | 61% | 0.605 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.7 | -38.1 | 177.3 | -55.9 | 172.3 | 0 | 0 | 0 | 111.3 | K991 H992 | K991-I994 WeakPolarHBondContact O-CB 3.47Å; K991-I994 PolarHBondContact O-N 3.19Å; K991-I994 VanDerWaalsContact O-N 3.09Å; H992-I994 PolarHBondContact O-N 3.1Å |
| 995 | V | 52.9 | Low | 55.5 | Low | 85 Ų | 85 | 116 Ų | 116 | 52% | 0.515 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -83.1 | -29.8 | -171.2 | 176.3 | 0 | 0 | 0 | 0 | 113.8 | K991 H992 N997 H998 | K991-V995 PolarHBondContact O-N 3.45Å; H992-V995 PolarHBondContact O-N 3.14Å; V995-N997 VanDerWaalsContact C-N 3.26Å; V995-N997 PolarHBondContact O-N 2.93Å; V995-N997 VanDerWaalsContact O-N 3.16Å; V995-H998 PolarHBondContact O-N 3.4Å |
| 996 | H | 46.3 | Very low | 54.8 | Low | 116 Ų | 116 | 117.6 Ų | 117.6 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -60.5 | -31.9 | -170.8 | -164 | -78.4 | 0 | 0 | 0 | 113.8 | H992 H998 | H992-H996 PolarHBondContact O-N 3.3Å; H992-H996 VanDerWaalsContact O-N 3.07Å; H996-H998 PolarHBondContact O-N 3.37Å |
| 997 | N | 48.6 | Very low | 54.5 | Low | 137 Ų | 137 | 121.4 Ų | 121.4 | 73% | 0.733 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -66 | -18.3 | -179.6 | -81.9 | -48.6 | 0 | 0 | 0 | 114.9 | V995 | V995-N997 VanDerWaalsContact C-N 3.26Å; V995-N997 PolarHBondContact O-N 2.93Å; V995-N997 VanDerWaalsContact O-N 3.16Å |
| 998 | H | 47.6 | Very low | 54 | Low | 164 Ų | 164 | 124.3 Ų | 124.3 | 76% | 0.759 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -96.9 | -6.2 | -175.6 | -76.6 | -56.6 | 0 | 0 | 0 | 115.2 | V995 H996 | V995-H998 PolarHBondContact O-N 3.4Å; H996-H998 PolarHBondContact O-N 3.37Å |
| 999 | R | 47.9 | Very low | 53.5 | Low | 175 Ų | 175 | 127 Ų | 127 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -94 | -14.6 | -166.6 | -172 | 167.9 | 168.7 | -177.8 | -6.6 | 115.9 | ||
| 1000 | L | 53.3 | Low | 53.2 | Low | 142 Ų | 142 | 126.9 Ų | 126.9 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -28.4 | -170 | -76.4 | 166.4 | 0 | 0 | 0 | 115.1 | T1002 | L1000-T1002 PolarHBondContact O-N 3.39Š|
| 1001 | N | 51.8 | Low | 53.3 | Low | 152 Ų | 152 | 124 Ų | 124 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -11.6 | -169.8 | -114.6 | 14.2 | 0 | 0 | 0 | 115.3 | ||
| 1002 | T | 49.6 | Very low | 53.2 | Low | 101 Ų | 101 | 124.7 Ų | 124.7 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -90 | -22.1 | -164.7 | -33.8 | 0 | 0 | 0 | 0 | 114 | L1000 | L1000-T1002 PolarHBondContact O-N 3.39Š|
| 1003 | N | 52.6 | Low | 53.5 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -83.1 | -25.7 | -166.8 | -65.7 | -12.1 | 0 | 0 | 0 | 114 | ||
| 1004 | E | 53.7 | Low | 53.8 | Low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.4 | -28.4 | -168.1 | -164.1 | 164.5 | 176.2 | 0 | 0 | 113.6 | H1006 | E1004-H1006 VanDerWaalsContact C-N 3.32Å; E1004-H1006 PolarHBondContact O-N 2.91Å |
| 1005 | L | 52.3 | Low | 54.2 | Low | 136 Ų | 136 | 128.5 Ų | 128.5 | 71% | 0.712 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.6 | -22.5 | 177.6 | -73.2 | 170.3 | 0 | 0 | 0 | 113.7 | ||
| 1006 | H | 56.4 | Low | 54.3 | Low | 141 Ų | 141 | 128.8 Ų | 128.8 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.1 | -40.5 | -175.2 | -143.9 | 60.2 | 0 | 0 | 0 | 111.8 | E1004 Q1008 L1009 | E1004-H1006 VanDerWaalsContact C-N 3.32Å; E1004-H1006 PolarHBondContact O-N 2.91Å; H1006-Q1008 VanDerWaalsContact C-N 3.31Å; H1006-Q1008 PolarHBondContact O-N 3.31Å; H1006-L1009 PolarHBondContact O-N 3.49Å |
| 1007 | V | 59.9 | Low | 55 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 70% | 0.703 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.3 | -30.3 | -175.2 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1008 | Q | 56.4 | Low | 55.6 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 62% | 0.621 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -77.5 | -21.5 | -177.5 | -59.8 | -173.8 | 12.1 | 0 | 0 | 113.4 | H1006 | H1006-Q1008 VanDerWaalsContact C-N 3.31Å; H1006-Q1008 PolarHBondContact O-N 3.31Å |
| 1009 | L | 54.7 | Low | 56 | Low | 129 Ų | 129 | 125 Ų | 125 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.4 | -41.5 | -171.3 | -162.9 | 70.2 | 0 | 0 | 0 | 112.9 | H1006 | H1006-L1009 PolarHBondContact O-N 3.49Å |
| 1010 | D | 57.8 | Low | 56.7 | Low | 89 Ų | 89 | 122 Ų | 122 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72.3 | -30.3 | -177.6 | -78.3 | -37.4 | 0 | 0 | 0 | 113.2 | L1012 K1013 | D1010-L1012 VanDerWaalsContact C-N 3.28Å; D1010-L1012 PolarHBondContact O-N 2.93Å; D1010-K1013 PolarHBondContact O-N 3.06Å |
| 1011 | S | 58.7 | Low | 57.1 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.3 | -27.9 | 179.5 | -170.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1012 | L | 55.2 | Low | 57.6 | Low | 136 Ų | 136 | 117.8 Ų | 117.8 | 71% | 0.712 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80 | -33.2 | 179.1 | -131.5 | 77.1 | 0 | 0 | 0 | 112 | D1010 N1014 H1015 | D1010-L1012 VanDerWaalsContact C-N 3.28Å; D1010-L1012 PolarHBondContact O-N 2.93Å; L1012-N1014 VanDerWaalsContact C-N 3.32Å; L1012-N1014 PolarHBondContact O-N 2.91Å; L1012-H1015 PolarHBondContact O-N 3.2Å |
| 1013 | K | 62.5 | Low | 57.9 | Low | 136 Ų | 136 | 118.7 Ų | 118.7 | 59% | 0.591 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.1 | -31.6 | -172.5 | -168.7 | 176.8 | 179.1 | -176.3 | 0 | 113.5 | D1010 N1017 | D1010-K1013 PolarHBondContact O-N 3.06Å; K1013-N1017 PolarHBondContact O-ND2 2.98Å |
| 1014 | N | 61.4 | Low | 58.4 | Low | 120 Ų | 120 | 118.2 Ų | 118.2 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -23.8 | -176.5 | -67 | -23.7 | 0 | 0 | 0 | 113.6 | L1012 | L1012-N1014 VanDerWaalsContact C-N 3.32Å; L1012-N1014 PolarHBondContact O-N 2.91Å |
| 1015 | H | 57.9 | Low | 58.6 | Low | 129 Ų | 129 | 116 Ų | 116 | 60% | 0.597 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.4 | -33.4 | -173.3 | -165.7 | 52.3 | 0 | 0 | 0 | 113.8 | L1012 | L1012-H1015 PolarHBondContact O-N 3.2Å |
| 1016 | C | 56.9 | Low | 58.9 | Low | 92 Ų | 92 | 112.1 Ų | 112.1 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.2 | -23.3 | -175.8 | -66.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1017 | N | 60.9 | Low | 58.7 | Low | 108 Ų | 108 | 112.6 Ų | 112.6 | 58% | 0.578 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.3 | -29.4 | -176.8 | -64.3 | -27.5 | 0 | 0 | 0 | 112.8 | K1013 S1021 | K1013-N1017 PolarHBondContact O-ND2 2.98Å; N1017-S1021 PolarHBondContact O-OG 2.78Å |
| 1018 | E | 60.7 | Low | 58.8 | Low | 115 Ų | 115 | 111.5 Ų | 111.5 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.5 | -53.2 | -175.9 | -164.8 | 62 | -125.5 | 0 | 0 | 111.7 | N1020 Q1022 | E1018-N1020 PolarHBondContact O-N 3.46Å; E1018-Q1022 PolarHBondContact OE1-NE2 3.01Å |
| 1019 | L | 55.9 | Low | 59.1 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 60% | 0.602 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.4 | -30.8 | -171.1 | -80.6 | 162.3 | 0 | 0 | 0 | 114.5 | ||
| 1020 | N | 61.7 | Low | 59.2 | Low | 111 Ų | 111 | 107.7 Ų | 107.7 | 59% | 0.594 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.3 | -29.3 | -176.2 | -165.4 | 51.3 | 0 | 0 | 0 | 112.7 | E1018 | E1018-N1020 PolarHBondContact O-N 3.46Å |
| 1021 | S | 61.9 | Low | 59.2 | Low | 85 Ų | 85 | 111.7 Ų | 111.7 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.8 | -35.3 | -174.6 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | N1017 | N1017-S1021 PolarHBondContact O-OG 2.78Å |
| 1022 | Q | 62 | Low | 59.3 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.6 | -26.4 | -172.9 | -61.4 | -178.8 | 13.8 | 0 | 0 | 113.7 | E1018 | E1018-Q1022 PolarHBondContact OE1-NE2 3.01Å |
| 1023 | L | 57.5 | Low | 59.5 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 63% | 0.628 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -82.4 | -39.1 | -173.3 | -174 | 62.2 | 0 | 0 | 0 | 113.8 | ||
| 1024 | I | 61.9 | Low | 59.2 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 55% | 0.549 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.4 | -34.5 | -173.2 | -65.9 | 174.2 | 0 | 0 | 0 | 111.7 | ||
| 1025 | Q | 58.2 | Low | 59.1 | Low | 103 Ų | 103 | 106.3 Ų | 106.3 | 48% | 0.481 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.1 | -52.6 | -175.3 | -169 | 58.9 | 50 | 0 | 0 | 112.2 | Q1027 L1028 D1029 | Q1025-Q1027 PolarHBondContact O-N 2.95Å; Q1025-L1028 PolarHBondContact O-N 2.66Å; Q1025-D1029 PolarHBondContact NE2-OD1 2.94Å; Q1025-D1029 PolarHBondContact O-N 2.94Å |
| 1026 | A | 58.7 | Low | 59.2 | Low | 55 Ų | 55 | 103 Ų | 103 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.6 | -21.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1030 | A1026-N1030 PolarHBondContact O-ND2 3.4Å; A1026-N1030 VanDerWaalsContact O-ND2 3.11Å |
| 1027 | Q | 52.9 | Low | 59.2 | Low | 150 Ų | 150 | 104.6 Ų | 104.6 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -85.1 | -23 | 175.9 | -60 | -167.3 | -80.1 | 0 | 0 | 113 | Q1025 | Q1025-Q1027 PolarHBondContact O-N 2.95Å |
| 1028 | L | 62.2 | Low | 59.4 | Low | 93 Ų | 93 | 106.3 Ų | 106.3 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -86.2 | -31.4 | -178.9 | -148.1 | 146.4 | 0 | 0 | 0 | 111.5 | Q1025 N1030 K1032 | Q1025-L1028 PolarHBondContact O-N 2.66Å; L1028-N1030 PolarHBondContact O-N 3.22Å; L1028-K1032 HydrophobicContact CD2-CD 4.03Å; L1028-K1032 HydrophobicContact CD2-CG 4.3Å; L1028-K1032 PolarHBondContact O-N 2.83Å |
| 1029 | D | 61.3 | Low | 59.7 | Low | 58 Ų | 58 | 102.7 Ų | 102.7 | 31% | 0.31 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.5 | -36 | -178.9 | -59.8 | -33.8 | 0 | 0 | 0 | 113.2 | Q1025 Q1031 K1032 L1033 | Q1025-D1029 PolarHBondContact NE2-OD1 2.94Å; Q1025-D1029 PolarHBondContact O-N 2.94Å; D1029-Q1031 PolarHBondContact O-N 2.85Å; D1029-K1032 PolarHBondContact O-N 2.89Å; D1029-L1033 PolarHBondContact O-N 3.2Å |
| 1030 | N | 57.7 | Low | 60.2 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 67% | 0.668 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.9 | -23.6 | -175.7 | -81 | -76.9 | 0 | 0 | 0 | 114.6 | A1026 L1028 | A1026-N1030 PolarHBondContact O-ND2 3.4Å; A1026-N1030 VanDerWaalsContact O-ND2 3.11Å; L1028-N1030 PolarHBondContact O-N 3.22Å |
| 1031 | Q | 57.7 | Low | 60.5 | Low | 173 Ų | 173 | 99.2 Ų | 99.2 | 81% | 0.808 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -90.5 | -24.4 | 172.4 | -72.1 | -169.1 | -8.6 | 0 | 0 | 112.7 | D1029 | D1029-Q1031 PolarHBondContact O-N 2.85Å |
| 1032 | K | 60.2 | Low | 60.9 | Low | 103 Ų | 103 | 101.1 Ų | 101.1 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 170.9 | -89.6 | -177.4 | 172.9 | 176.3 | 0 | 112.4 | L1028 D1029 A1034 A1035 D1036 | L1028-K1032 HydrophobicContact CD2-CD 4.03Å; L1028-K1032 HydrophobicContact CD2-CG 4.3Å; L1028-K1032 PolarHBondContact O-N 2.83Å; D1029-K1032 PolarHBondContact O-N 2.89Å; K1032-A1034 PolarHBondContact O-N 3.21Å; K1032-A1035 WeakPolarHBondContact O-CA 3.39Å; K1032-A1035 PolarHBondContact O-N 3.36Å; K1032-D1036 WeakPolarHBondContact CB-OD2 3.29Å; K1032-D1036 PolarHBondContact O-N 2.87Å |
| 1033 | L | 58.5 | Low | 61.6 | Low | 114 Ų | 114 | 100.3 Ų | 100.3 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -47.2 | -39 | -173.8 | -118.5 | 80.5 | 0 | 0 | 0 | 115.1 | D1029 D1036 Q1037 | D1029-L1033 PolarHBondContact O-N 3.2Å; L1033-D1036 PolarHBondContact O-N 2.8Å; L1033-Q1037 PolarHBondContact O-N 2.84Å; L1033-Q1037 VanDerWaalsContact O-N 3.13Å |
| 1034 | A | 56.2 | Low | 62.5 | Low | 87 Ų | 87 | 100.8 Ų | 100.8 | 72% | 0.719 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75.1 | -26.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | K1032 | K1032-A1034 PolarHBondContact O-N 3.21Å |
| 1035 | A | 60.7 | Low | 63.3 | Low | 68 Ų | 68 | 100.5 Ų | 100.5 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -85 | -34.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1032 Q1037 K1038 S1039 | K1032-A1035 WeakPolarHBondContact O-CA 3.39Å; K1032-A1035 PolarHBondContact O-N 3.36Å; A1035-Q1037 VanDerWaalsContact C-N 3.27Å; A1035-Q1037 PolarHBondContact O-N 2.85Å; A1035-K1038 PolarHBondContact O-N 3.28Å; A1035-S1039 PolarHBondContact O-N 3.49Å; A1035-S1039 VanDerWaalsContact O-N 3.08Å |
| 1036 | D | 59.1 | Low | 64.3 | Low | 61 Ų | 61 | 99.2 Ų | 99.2 | 33% | 0.326 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.8 | -37.1 | 175.8 | -76.4 | -41.6 | 0 | 0 | 0 | 111.8 | K1032 L1033 K1038 S1039 T1040 | K1032-D1036 WeakPolarHBondContact CB-OD2 3.29Å; K1032-D1036 PolarHBondContact O-N 2.87Å; L1033-D1036 PolarHBondContact O-N 2.8Å; D1036-K1038 VanDerWaalsContact C-N 3.3Å; D1036-K1038 PolarHBondContact O-N 2.86Å; D1036-S1039 CarbonylContact O-C 3.56Å; D1036-S1039 WeakPolarHBondContact O-CA 3.38Å; D1036-S1039 WeakPolarHBondContact O-CB 3.08Å; D1036-S1039 PolarHBondContact O-N 3.02Å; D1036-S1039 VanDerWaalsContact O-N 3.07Å; D1036-T1040 PolarHBondContact O-N 3.47Å; D1036-T1040 PolarHBondContact O-OG1 3.44Å |
| 1037 | Q | 58.1 | Low | 65.2 | Low | 125 Ų | 125 | 101.4 Ų | 101.4 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.2 | -40.4 | 177.9 | -167.3 | 66.4 | 58.8 | 0 | 0 | 113 | L1033 A1035 T1040 D1041 | L1033-Q1037 PolarHBondContact O-N 2.84Å; L1033-Q1037 VanDerWaalsContact O-N 3.13Å; A1035-Q1037 VanDerWaalsContact C-N 3.27Å; A1035-Q1037 PolarHBondContact O-N 2.85Å; Q1037-T1040 VanDerWaalsContact C-OG1 3.28Å; Q1037-T1040 VanDerWaalsContact CA-OG1 3.3Å; Q1037-T1040 WeakPolarHBondContact CA-OG1 3.46Å; Q1037-T1040 PolarHBondContact O-N 3.4Å; Q1037-T1040 PolarHBondContact O-OG1 3.44Å; Q1037-D1041 PolarHBondContact O-N 3.47Å |
| 1038 | K | 64.4 | Low | 66.4 | Low | 144 Ų | 144 | 99 Ų | 99 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -77.6 | -33.2 | 175.9 | -167.1 | 178.2 | 178.3 | -172.4 | 0 | 111.9 | A1035 D1036 T1040 D1041 E1042 | A1035-K1038 PolarHBondContact O-N 3.28Å; D1036-K1038 VanDerWaalsContact C-N 3.3Å; D1036-K1038 PolarHBondContact O-N 2.86Å; K1038-T1040 VanDerWaalsContact C-N 3.27Å; K1038-T1040 PolarHBondContact O-N 2.96Å; K1038-D1041 PolarHBondContact O-N 2.91Å; K1038-E1042 PolarHBondContact O-N 2.88Å |
| 1039 | S | 66.9 | Low | 67.4 | Low | 38 Ų | 38 | 96.2 Ų | 96.2 | 27% | 0.266 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -31.6 | 170.3 | -171.6 | 0 | 0 | 0 | 0 | 112 | A1035 D1036 K1043 | A1035-S1039 PolarHBondContact O-N 3.49Å; A1035-S1039 VanDerWaalsContact O-N 3.08Å; D1036-S1039 CarbonylContact O-C 3.56Å; D1036-S1039 WeakPolarHBondContact O-CA 3.38Å; D1036-S1039 WeakPolarHBondContact O-CB 3.08Å; D1036-S1039 PolarHBondContact O-N 3.02Å; D1036-S1039 VanDerWaalsContact O-N 3.07Å; S1039-K1043 VanDerWaalsContact O-CB 3.26Å; S1039-K1043 WeakPolarHBondContact O-CB 3.21Å; S1039-K1043 WeakPolarHBondContact O-CD 3.5Å; S1039-K1043 WeakPolarHBondContact O-CG 3.44Å; S1039-K1043 PolarHBondContact O-N 3.36Å; S1039-K1043 VanDerWaalsContact OG-CE 3.29Å; S1039-K1043 WeakPolarHBondContact OG-CE 3.46Å; S1039-K1043 PolarHBondContact OG-NZ 2.78Å |
| 1040 | T | 66.1 | Low | 68.4 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 39% | 0.387 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.2 | -32.7 | 175.9 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | D1036 Q1037 K1038 K1043 F1044 | D1036-T1040 PolarHBondContact O-N 3.47Å; D1036-T1040 PolarHBondContact O-OG1 3.44Å; Q1037-T1040 VanDerWaalsContact C-OG1 3.28Å; Q1037-T1040 VanDerWaalsContact CA-OG1 3.3Å; Q1037-T1040 WeakPolarHBondContact CA-OG1 3.46Å; Q1037-T1040 PolarHBondContact O-N 3.4Å; Q1037-T1040 PolarHBondContact O-OG1 3.44Å; K1038-T1040 VanDerWaalsContact C-N 3.27Å; K1038-T1040 PolarHBondContact O-N 2.96Å; T1040-K1043 CarbonylContact O-C 3.43Å; T1040-K1043 PolarHBondContact O-N 3.42Å; T1040-F1044 WeakPolarHBondContact O-CA 3.36Å; T1040-F1044 WeakPolarHBondContact O-CB 3.33Å; T1040-F1044 PolarHBondContact O-N 2.74Å |
| 1041 | D | 67.8 | Low | 69.4 | Low | 91 Ų | 91 | 95.1 Ų | 95.1 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 174.5 | -62 | -17.4 | 0 | 0 | 0 | 111.2 | Q1037 K1038 F1044 N1045 | Q1037-D1041 PolarHBondContact O-N 3.47Å; K1038-D1041 PolarHBondContact O-N 2.91Å; D1041-F1044 PolarHBondContact O-N 3.48Å; D1041-N1045 PolarHBondContact O-N 2.75Å; D1041-N1045 PolarHBondContact O-ND2 3.36Å |
| 1042 | E | 71.6 | Confident | 70.6 | Confident | 125 Ų | 125 | 91.3 Ų | 91.3 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 174.4 | -71.2 | 175.6 | -174.2 | 0 | 0 | 112 | K1038 S1046 | K1038-E1042 PolarHBondContact O-N 2.88Å; E1042-S1046 WeakPolarHBondContact O-CB 3.38Å; E1042-S1046 PolarHBondContact O-N 2.82Å |
| 1043 | K | 76.3 | Confident | 71.7 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 170.3 | -74.6 | 162 | -179.4 | 147.8 | 0 | 111.8 | S1039 T1040 S1046 I1047 | S1039-K1043 VanDerWaalsContact O-CB 3.26Å; S1039-K1043 WeakPolarHBondContact O-CB 3.21Å; S1039-K1043 WeakPolarHBondContact O-CD 3.5Å; S1039-K1043 WeakPolarHBondContact O-CG 3.44Å; S1039-K1043 PolarHBondContact O-N 3.36Å; S1039-K1043 VanDerWaalsContact OG-CE 3.29Å; S1039-K1043 WeakPolarHBondContact OG-CE 3.46Å; S1039-K1043 PolarHBondContact OG-NZ 2.78Å; T1040-K1043 CarbonylContact O-C 3.43Å; T1040-K1043 PolarHBondContact O-N 3.42Å; K1043-S1046 CarbonylContact O-C 3.49Å; K1043-S1046 PolarHBondContact O-N 2.74Å; K1043-I1047 VanDerWaalsContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CD1 3.35Å; K1043-I1047 WeakPolarHBondContact O-CG1 2.91Å; K1043-I1047 PolarHBondContact O-N 2.93Å |
| 1044 | F | 76.7 | Confident | 72.7 | Confident | 131 Ų | 131 | 89.9 Ų | 89.9 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -47.3 | 179.3 | -169.3 | -86.7 | 0 | 0 | 0 | 110.3 | T1040 D1041 S1046 I1047 E1048 | T1040-F1044 WeakPolarHBondContact O-CA 3.36Å; T1040-F1044 WeakPolarHBondContact O-CB 3.33Å; T1040-F1044 PolarHBondContact O-N 2.74Å; D1041-F1044 PolarHBondContact O-N 3.48Å; F1044-S1046 VanDerWaalsContact C-N 3.28Å; F1044-S1046 PolarHBondContact O-N 3.36Å; F1044-I1047 CarbonylContact O-C 3.55Å; F1044-I1047 PolarHBondContact O-N 2.64Å; F1044-E1048 WeakPolarHBondContact O-CB 3.23Å; F1044-E1048 PolarHBondContact O-N 3.39Å |
| 1045 | N | 77.2 | Confident | 74 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 173.2 | -65.9 | -34.8 | 0 | 0 | 0 | 112.3 | D1041 G1049 | D1041-N1045 PolarHBondContact O-N 2.75Å; D1041-N1045 PolarHBondContact O-ND2 3.36Å; N1045-G1049 PolarHBondContact O-N 2.72Å |
| 1046 | S | 80.4 | Confident | 75.1 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.8 | -35.8 | 175 | -172.3 | 0 | 0 | 0 | 0 | 113.1 | E1042 K1043 F1044 S1050 | E1042-S1046 WeakPolarHBondContact O-CB 3.38Å; E1042-S1046 PolarHBondContact O-N 2.82Å; K1043-S1046 CarbonylContact O-C 3.49Å; K1043-S1046 PolarHBondContact O-N 2.74Å; F1044-S1046 VanDerWaalsContact C-N 3.28Å; F1044-S1046 PolarHBondContact O-N 3.36Å; S1046-S1050 WeakPolarHBondContact O-CB 3.31Å; S1046-S1050 PolarHBondContact O-N 3.42Å; S1046-S1050 PolarHBondContact O-OG 3.29Å |
| 1047 | I | 77.3 | Confident | 76.3 | Confident | 101 Ų | 101 | 92.4 Ų | 92.4 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.7 | -44.3 | 174 | -74.1 | 163.2 | 0 | 0 | 0 | 109.8 | K1043 F1044 S1050 L1051 | K1043-I1047 VanDerWaalsContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CD1 3.35Å; K1043-I1047 WeakPolarHBondContact O-CG1 2.91Å; K1043-I1047 PolarHBondContact O-N 2.93Å; F1044-I1047 CarbonylContact O-C 3.55Å; F1044-I1047 PolarHBondContact O-N 2.64Å; I1047-S1050 CarbonylContact O-C 3.58Å; I1047-S1050 WeakPolarHBondContact O-CA 3.33Å; I1047-S1050 WeakPolarHBondContact O-CB 3.41Å; I1047-S1050 PolarHBondContact O-N 3.08Å; I1047-S1050 VanDerWaalsContact O-N 3.07Å; I1047-L1051 HydrophobicContact CG2-CD1 4.4Å; I1047-L1051 WeakPolarHBondContact O-CB 3.34Å; I1047-L1051 PolarHBondContact O-N 2.87Å |
| 1048 | E | 78.8 | Confident | 77.5 | Confident | 101 Ų | 101 | 90 Ų | 90 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.1 | -174.8 | 170.4 | -147.1 | 0 | 0 | 111.4 | F1044 S1050 L1051 I1052 | F1044-E1048 WeakPolarHBondContact O-CB 3.23Å; F1044-E1048 PolarHBondContact O-N 3.39Å; E1048-S1050 PolarHBondContact O-N 3.13Å; E1048-L1051 WeakPolarHBondContact O-CB 3.27Å; E1048-L1051 PolarHBondContact O-N 2.81Å; E1048-L1051 VanDerWaalsContact O-N 3.09Å; E1048-I1052 HydrophobicContact CG-CD1 4.45Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.26Å; E1048-I1052 PolarHBondContact O-N 3.05Å |
| 1049 | G | 82 | Confident | 78.5 | Confident | 33 Ų | 33 | 87.6 Ų | 87.6 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -30.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1045 K1053 | N1045-G1049 PolarHBondContact O-N 2.72Å; G1049-K1053 WeakPolarHBondContact O-CG 3.4Å; G1049-K1053 PolarHBondContact O-N 3.49Å |
| 1050 | S | 82.8 | Confident | 79.3 | Confident | 68 Ų | 68 | 91.8 Ų | 91.8 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.7 | -31.8 | 173.1 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | S1046 I1047 E1048 K1053 A1054 | S1046-S1050 WeakPolarHBondContact O-CB 3.31Å; S1046-S1050 PolarHBondContact O-N 3.42Å; S1046-S1050 PolarHBondContact O-OG 3.29Å; I1047-S1050 CarbonylContact O-C 3.58Å; I1047-S1050 WeakPolarHBondContact O-CA 3.33Å; I1047-S1050 WeakPolarHBondContact O-CB 3.41Å; I1047-S1050 PolarHBondContact O-N 3.08Å; I1047-S1050 VanDerWaalsContact O-N 3.07Å; E1048-S1050 PolarHBondContact O-N 3.13Å; S1050-K1053 PolarHBondContact O-N 2.83Å; S1050-A1054 WeakPolarHBondContact O-CB 3.35Å; S1050-A1054 PolarHBondContact O-N 3.38Å |
| 1051 | L | 79.4 | Confident | 80 | Confident | 92 Ų | 92 | 93.9 Ų | 93.9 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 174.4 | -118.8 | 158.6 | 0 | 0 | 0 | 111.2 | I1047 E1048 A1054 N1055 | I1047-L1051 HydrophobicContact CG2-CD1 4.4Å; I1047-L1051 WeakPolarHBondContact O-CB 3.34Å; I1047-L1051 PolarHBondContact O-N 2.87Å; E1048-L1051 WeakPolarHBondContact O-CB 3.27Å; E1048-L1051 PolarHBondContact O-N 2.81Å; E1048-L1051 VanDerWaalsContact O-N 3.09Å; L1051-A1054 PolarHBondContact O-N 3.17Å; L1051-N1055 WeakPolarHBondContact O-CB 3.35Å; L1051-N1055 PolarHBondContact O-N 3.5Å; L1051-N1055 PolarHBondContact O-ND2 2.88Å |
| 1052 | I | 82.6 | Confident | 80.9 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 171.6 | -69 | 165.8 | 0 | 0 | 0 | 110.2 | E1048 N1055 Q1056 | E1048-I1052 HydrophobicContact CG-CD1 4.45Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.26Å; E1048-I1052 PolarHBondContact O-N 3.05Å; I1052-N1055 PolarHBondContact O-N 2.9Å; I1052-Q1056 WeakPolarHBondContact O-CG 3.34Å; I1052-Q1056 PolarHBondContact O-N 2.94Å |
| 1053 | K | 82.9 | Confident | 81.5 | Confident | 144 Ų | 144 | 97.8 Ų | 97.8 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | 174.2 | -74.5 | 179.9 | 178.1 | -177.4 | 0 | 112.2 | G1049 S1050 N1055 Q1056 T1057 | G1049-K1053 WeakPolarHBondContact O-CG 3.4Å; G1049-K1053 PolarHBondContact O-N 3.49Å; S1050-K1053 PolarHBondContact O-N 2.83Å; K1053-N1055 VanDerWaalsContact C-N 3.31Å; K1053-N1055 PolarHBondContact O-N 3.48Å; K1053-Q1056 WeakPolarHBondContact O-CB 3.33Å; K1053-Q1056 PolarHBondContact O-N 3.25Å; K1053-Q1056 VanDerWaalsContact O-N 3.14Å; K1053-T1057 PolarHBondContact O-N 2.87Å; K1053-T1057 PolarHBondContact O-OG1 3.01Å |
| 1054 | A | 80.4 | Confident | 81.8 | Confident | 42 Ų | 42 | 97.2 Ų | 97.2 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S1050 L1051 T1057 I1058 | S1050-A1054 WeakPolarHBondContact O-CB 3.35Å; S1050-A1054 PolarHBondContact O-N 3.38Å; L1051-A1054 PolarHBondContact O-N 3.17Å; A1054-T1057 PolarHBondContact O-N 3.41Å; A1054-I1058 WeakPolarHBondContact O-CB 3.38Å; A1054-I1058 WeakPolarHBondContact O-CD1 3.43Å; A1054-I1058 VanDerWaalsContact O-CG1 3.22Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.25Å; A1054-I1058 PolarHBondContact O-N 3.39Å |
| 1055 | N | 81.9 | Confident | 82.2 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 174 | -73.7 | -29.5 | 0 | 0 | 0 | 111.9 | L1051 I1052 K1053 I1058 D1059 | L1051-N1055 WeakPolarHBondContact O-CB 3.35Å; L1051-N1055 PolarHBondContact O-N 3.5Å; L1051-N1055 PolarHBondContact O-ND2 2.88Å; I1052-N1055 PolarHBondContact O-N 2.9Å; K1053-N1055 VanDerWaalsContact C-N 3.31Å; K1053-N1055 PolarHBondContact O-N 3.48Å; N1055-I1058 PolarHBondContact O-N 2.93Å; N1055-D1059 PolarHBondContact O-N 2.75Å |
| 1056 | Q | 84.8 | Confident | 82.5 | Confident | 116 Ų | 116 | 94.5 Ų | 94.5 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 171.5 | -70.7 | 170.1 | -25.9 | 0 | 0 | 111.4 | I1052 K1053 I1058 D1059 E1060 | I1052-Q1056 WeakPolarHBondContact O-CG 3.34Å; I1052-Q1056 PolarHBondContact O-N 2.94Å; K1053-Q1056 WeakPolarHBondContact O-CB 3.33Å; K1053-Q1056 PolarHBondContact O-N 3.25Å; K1053-Q1056 VanDerWaalsContact O-N 3.14Å; Q1056-I1058 VanDerWaalsContact C-N 3.32Å; Q1056-I1058 PolarHBondContact O-N 3.21Å; Q1056-D1059 PolarHBondContact O-N 3.08Å; Q1056-E1060 PolarHBondContact O-N 3.45Å |
| 1057 | T | 84.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 94.8 Ų | 94.8 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 176 | -34.2 | 0 | 0 | 0 | 0 | 112.1 | K1053 A1054 E1060 L1061 | K1053-T1057 PolarHBondContact O-N 2.87Å; K1053-T1057 PolarHBondContact O-OG1 3.01Å; A1054-T1057 PolarHBondContact O-N 3.41Å; T1057-E1060 PolarHBondContact O-N 2.87Å; T1057-L1061 WeakPolarHBondContact O-CB 3.47Å; T1057-L1061 VanDerWaalsContact O-CG 3.23Å; T1057-L1061 WeakPolarHBondContact O-CG 3.27Å; T1057-L1061 PolarHBondContact O-N 2.65Å |
| 1058 | I | 83.5 | Confident | 82.8 | Confident | 75 Ų | 75 | 94.7 Ų | 94.7 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -39 | 175 | -75.9 | 163.6 | 0 | 0 | 0 | 111.2 | A1054 N1055 Q1056 L1061 K1062 | A1054-I1058 WeakPolarHBondContact O-CB 3.38Å; A1054-I1058 WeakPolarHBondContact O-CD1 3.43Å; A1054-I1058 VanDerWaalsContact O-CG1 3.22Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.25Å; A1054-I1058 PolarHBondContact O-N 3.39Å; N1055-I1058 PolarHBondContact O-N 2.93Å; Q1056-I1058 VanDerWaalsContact C-N 3.32Å; Q1056-I1058 PolarHBondContact O-N 3.21Å; I1058-L1061 PolarHBondContact O-N 3.42Å; I1058-K1062 WeakPolarHBondContact O-CG 3.37Å; I1058-K1062 PolarHBondContact O-N 3.33Å |
| 1059 | D | 84 | Confident | 83.1 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.4 | -31.8 | 177.1 | -72.9 | -21.8 | 0 | 0 | 0 | 112.8 | N1055 Q1056 K1062 R1063 | N1055-D1059 PolarHBondContact O-N 2.75Å; Q1056-D1059 PolarHBondContact O-N 3.08Å; D1059-K1062 WeakPolarHBondContact OD1-CD 3.46Å; D1059-K1062 IonicContact OD1-NZ 2.66Å; D1059-K1062 PolarHBondContact OD1-NZ 3.25Å; D1059-R1063 PolarHBondContact O-N 3.44Å; D1059-R1063 VanDerWaalsContact O-N 3.13Å |
| 1060 | E | 83.6 | Confident | 83.3 | Confident | 125 Ų | 125 | 99.8 Ų | 99.8 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 166.5 | -71.5 | 178.1 | 161.6 | 0 | 0 | 111.8 | Q1056 T1057 R1063 N1064 | Q1056-E1060 PolarHBondContact O-N 3.45Å; T1057-E1060 PolarHBondContact O-N 2.87Å; E1060-R1063 WeakPolarHBondContact O-CB 3.44Å; E1060-R1063 PolarHBondContact O-N 2.65Å; E1060-R1063 VanDerWaalsContact O-N 3.16Å; E1060-N1064 PolarHBondContact O-N 2.9Å |
| 1061 | L | 81.8 | Confident | 83.3 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -41.7 | 176 | -75.4 | 167.3 | 0 | 0 | 0 | 112.2 | T1057 I1058 R1063 N1064 E1065 | T1057-L1061 WeakPolarHBondContact O-CB 3.47Å; T1057-L1061 VanDerWaalsContact O-CG 3.23Å; T1057-L1061 WeakPolarHBondContact O-CG 3.27Å; T1057-L1061 PolarHBondContact O-N 2.65Å; I1058-L1061 PolarHBondContact O-N 3.42Å; L1061-R1063 VanDerWaalsContact C-N 3.29Å; L1061-R1063 PolarHBondContact O-N 3.43Å; L1061-N1064 PolarHBondContact O-N 2.82Å; L1061-E1065 WeakPolarHBondContact O-CB 3.33Å; L1061-E1065 PolarHBondContact O-N 3.29Å |
| 1062 | K | 86 | Confident | 83.5 | Confident | 112 Ų | 112 | 103.1 Ų | 103.1 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 172.1 | -70.7 | 168.1 | -163.6 | 159.3 | 0 | 112.2 | I1058 D1059 E1065 S1066 | I1058-K1062 WeakPolarHBondContact O-CG 3.37Å; I1058-K1062 PolarHBondContact O-N 3.33Å; D1059-K1062 WeakPolarHBondContact OD1-CD 3.46Å; D1059-K1062 IonicContact OD1-NZ 2.66Å; D1059-K1062 PolarHBondContact OD1-NZ 3.25Å; K1062-E1065 PolarHBondContact O-N 2.83Å; K1062-S1066 PolarHBondContact O-N 2.73Å; K1062-S1066 VanDerWaalsContact O-N 3.11Å |
| 1063 | R | 85.6 | Confident | 83.6 | Confident | 185 Ų | 185 | 102.9 Ų | 102.9 | 70% | 0.698 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 176.4 | -162.5 | -174.5 | -162.2 | 92.6 | 4.3 | 111 | D1059 E1060 L1061 S1066 I1067 | D1059-R1063 PolarHBondContact O-N 3.44Å; D1059-R1063 VanDerWaalsContact O-N 3.13Å; E1060-R1063 WeakPolarHBondContact O-CB 3.44Å; E1060-R1063 PolarHBondContact O-N 2.65Å; E1060-R1063 VanDerWaalsContact O-N 3.16Å; L1061-R1063 VanDerWaalsContact C-N 3.29Å; L1061-R1063 PolarHBondContact O-N 3.43Å; R1063-S1066 WeakPolarHBondContact O-CB 3.37Å; R1063-S1066 PolarHBondContact O-N 2.89Å; R1063-I1067 PolarHBondContact O-N 3.38Å |
| 1064 | N | 82.7 | Confident | 83.8 | Confident | 92 Ų | 92 | 100.1 Ų | 100.1 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 176.9 | -67.4 | -18.8 | 0 | 0 | 0 | 111.9 | E1060 L1061 S1066 I1067 L1068 | E1060-N1064 PolarHBondContact O-N 2.9Å; L1061-N1064 PolarHBondContact O-N 2.82Å; N1064-S1066 VanDerWaalsContact C-N 3.29Å; N1064-S1066 PolarHBondContact O-N 3.37Å; N1064-I1067 PolarHBondContact O-N 2.78Å; N1064-L1068 WeakPolarHBondContact O-CB 3.39Å; N1064-L1068 PolarHBondContact O-N 3.37Å |
| 1065 | E | 84.4 | Confident | 83.8 | Confident | 98 Ų | 98 | 104 Ų | 104 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 173.2 | -167 | -163.7 | 153.8 | 0 | 0 | 111.9 | L1061 K1062 L1068 K1069 | L1061-E1065 WeakPolarHBondContact O-CB 3.33Å; L1061-E1065 PolarHBondContact O-N 3.29Å; K1062-E1065 PolarHBondContact O-N 2.83Å; E1065-L1068 PolarHBondContact O-N 3.15Å; E1065-K1069 WeakPolarHBondContact O-CG 3.12Å; E1065-K1069 PolarHBondContact O-N 2.89Å; E1065-K1069 WeakPolarHBondContact OE1-CE 3.32Å; E1065-K1069 IonicContact OE1-NZ 2.65Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å |
| 1066 | S | 82.3 | Confident | 83.9 | Confident | 76 Ų | 76 | 105 Ų | 105 | 53% | 0.531 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 176 | -163.2 | 0 | 0 | 0 | 0 | 112.3 | K1062 R1063 N1064 L1068 K1069 E1070 | K1062-S1066 PolarHBondContact O-N 2.73Å; K1062-S1066 VanDerWaalsContact O-N 3.11Å; R1063-S1066 WeakPolarHBondContact O-CB 3.37Å; R1063-S1066 PolarHBondContact O-N 2.89Å; N1064-S1066 VanDerWaalsContact C-N 3.29Å; N1064-S1066 PolarHBondContact O-N 3.37Å; S1066-L1068 VanDerWaalsContact C-N 3.33Å; S1066-K1069 PolarHBondContact O-N 3.16Å; S1066-E1070 PolarHBondContact O-N 3.43Å; S1066-E1070 VanDerWaalsContact O-N 3.12Å |
| 1067 | I | 83.3 | Confident | 84 | Confident | 82 Ų | 82 | 105 Ų | 105 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 176.4 | -63.5 | 167.1 | 0 | 0 | 0 | 110.5 | R1063 N1064 K1069 E1070 N1071 | R1063-I1067 PolarHBondContact O-N 3.38Å; N1064-I1067 PolarHBondContact O-N 2.78Å; I1067-K1069 PolarHBondContact O-N 3.41Å; I1067-E1070 PolarHBondContact O-N 2.86Å; I1067-N1071 PolarHBondContact O-N 3.33Å |
| 1068 | L | 81.3 | Confident | 83.9 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.9 | -137.6 | 75.5 | 0 | 0 | 0 | 111.4 | N1064 E1065 S1066 N1071 Y1072 | N1064-L1068 WeakPolarHBondContact O-CB 3.39Å; N1064-L1068 PolarHBondContact O-N 3.37Å; E1065-L1068 PolarHBondContact O-N 3.15Å; S1066-L1068 VanDerWaalsContact C-N 3.33Å; L1068-N1071 PolarHBondContact O-N 2.7Å; L1068-Y1072 HydrophobicContact CD2-CE2 3.95Å; L1068-Y1072 HydrophobicContact CG-CD2 4.27Å; L1068-Y1072 HydrophobicContact CG-CE2 3.95Å; L1068-Y1072 WeakPolarHBondContact O-CD2 3.46Å; L1068-Y1072 PolarHBondContact O-N 3.31Å |
| 1069 | K | 86.1 | Confident | 84 | Confident | 119 Ų | 119 | 108.8 Ų | 108.8 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 176 | -73.7 | 171.5 | -174.5 | 169.4 | 0 | 112.5 | E1065 S1066 I1067 T1073 | E1065-K1069 WeakPolarHBondContact O-CG 3.12Å; E1065-K1069 PolarHBondContact O-N 2.89Å; E1065-K1069 WeakPolarHBondContact OE1-CE 3.32Å; E1065-K1069 IonicContact OE1-NZ 2.65Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å; S1066-K1069 PolarHBondContact O-N 3.16Å; I1067-K1069 PolarHBondContact O-N 3.41Å; K1069-T1073 WeakPolarHBondContact O-CB 3.31Å; K1069-T1073 PolarHBondContact O-N 3.39Å; K1069-T1073 PolarHBondContact O-OG1 3.5Å |
| 1070 | E | 85.1 | Confident | 84.1 | Confident | 122 Ų | 122 | 110.3 Ų | 110.3 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.1 | -46.2 | 175.2 | -170.8 | 170.5 | -174.8 | 0 | 0 | 111.4 | S1066 I1067 Y1072 T1073 N1074 | S1066-E1070 PolarHBondContact O-N 3.43Å; S1066-E1070 VanDerWaalsContact O-N 3.12Å; I1067-E1070 PolarHBondContact O-N 2.86Å; E1070-Y1072 PolarHBondContact O-N 3.19Å; E1070-T1073 WeakPolarHBondContact O-CB 3.15Å; E1070-T1073 PolarHBondContact O-N 2.75Å; E1070-N1074 PolarHBondContact O-N 2.78Å; E1070-N1074 PolarHBondContact O-ND2 2.74Å |
| 1071 | N | 83.7 | Confident | 84.2 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.3 | -78.2 | -17.7 | 0 | 0 | 0 | 112.9 | I1067 L1068 T1073 N1074 Q1075 | I1067-N1071 PolarHBondContact O-N 3.33Å; L1068-N1071 PolarHBondContact O-N 2.7Å; N1071-T1073 VanDerWaalsContact C-N 3.3Å; N1071-T1073 PolarHBondContact O-N 3.4Å; N1071-N1074 PolarHBondContact O-N 2.81Å; N1071-Q1075 WeakPolarHBondContact O-CG 3.46Å; N1071-Q1075 PolarHBondContact O-N 3.49Å |
| 1072 | Y | 83.7 | Confident | 84.1 | Confident | 141 Ų | 141 | 105.9 Ų | 105.9 | 55% | 0.553 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -34.7 | 174.6 | -82.7 | -59.8 | 0 | 0 | 0 | 112.5 | L1068 E1070 Q1075 L1076 | L1068-Y1072 HydrophobicContact CD2-CE2 3.95Å; L1068-Y1072 HydrophobicContact CG-CD2 4.27Å; L1068-Y1072 HydrophobicContact CG-CE2 3.95Å; L1068-Y1072 WeakPolarHBondContact O-CD2 3.46Å; L1068-Y1072 PolarHBondContact O-N 3.31Å; E1070-Y1072 PolarHBondContact O-N 3.19Å; Y1072-Q1075 PolarHBondContact O-N 2.76Å; Y1072-L1076 WeakPolarHBondContact O-CB 3.44Å; Y1072-L1076 PolarHBondContact O-N 3.38Å |
| 1073 | T | 84.9 | Confident | 84.1 | Confident | 88 Ų | 88 | 105.9 Ų | 105.9 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.8 | -55 | 0 | 0 | 0 | 0 | 111.1 | K1069 E1070 N1071 L1076 K1077 | K1069-T1073 WeakPolarHBondContact O-CB 3.31Å; K1069-T1073 PolarHBondContact O-N 3.39Å; K1069-T1073 PolarHBondContact O-OG1 3.5Å; E1070-T1073 WeakPolarHBondContact O-CB 3.15Å; E1070-T1073 PolarHBondContact O-N 2.75Å; N1071-T1073 VanDerWaalsContact C-N 3.3Å; N1071-T1073 PolarHBondContact O-N 3.4Å; T1073-L1076 PolarHBondContact O-N 2.8Å; T1073-K1077 PolarHBondContact O-N 3.44Å; T1073-K1077 VanDerWaalsContact O-N 3.15Å |
| 1074 | N | 85.6 | Confident | 84 | Confident | 87 Ų | 87 | 101.9 Ų | 101.9 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 175.8 | -69.4 | -33 | 0 | 0 | 0 | 112.5 | E1070 N1071 K1077 L1078 | E1070-N1074 PolarHBondContact O-N 2.78Å; E1070-N1074 PolarHBondContact O-ND2 2.74Å; N1071-N1074 PolarHBondContact O-N 2.81Å; N1074-K1077 PolarHBondContact O-N 3.18Å; N1074-L1078 PolarHBondContact O-N 3.22Å; N1074-L1078 VanDerWaalsContact O-N 3.13Å |
| 1075 | Q | 80.1 | Confident | 84.1 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 173.5 | -76.3 | -177.3 | -18.8 | 0 | 0 | 112.6 | N1071 Y1072 K1077 L1078 F1079 | N1071-Q1075 WeakPolarHBondContact O-CG 3.46Å; N1071-Q1075 PolarHBondContact O-N 3.49Å; Y1072-Q1075 PolarHBondContact O-N 2.76Å; Q1075-K1077 PolarHBondContact O-N 3.2Å; Q1075-L1078 PolarHBondContact O-N 3.02Å; Q1075-F1079 WeakPolarHBondContact O-CB 2.97Å; Q1075-F1079 PolarHBondContact O-N 3.5Å |
| 1076 | L | 85 | Confident | 84.1 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 173.6 | -95.1 | 157.9 | 0 | 0 | 0 | 111.6 | Y1072 T1073 F1079 E1080 | Y1072-L1076 WeakPolarHBondContact O-CB 3.44Å; Y1072-L1076 PolarHBondContact O-N 3.38Å; T1073-L1076 PolarHBondContact O-N 2.8Å; L1076-F1079 WeakPolarHBondContact O-CB 3.26Å; L1076-F1079 PolarHBondContact O-N 3.17Å; L1076-F1079 VanDerWaalsContact O-N 3.14Å; L1076-E1080 WeakPolarHBondContact O-CG 3.41Å; L1076-E1080 PolarHBondContact O-N 3.25Å |
| 1077 | K | 86.6 | Confident | 84.3 | Confident | 116 Ų | 116 | 104.6 Ų | 104.6 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 178.8 | -171.4 | 171.6 | -178.2 | -78.8 | 0 | 113.1 | T1073 N1074 Q1075 F1079 E1080 E1081 | T1073-K1077 PolarHBondContact O-N 3.44Å; T1073-K1077 VanDerWaalsContact O-N 3.15Å; N1074-K1077 PolarHBondContact O-N 3.18Å; Q1075-K1077 PolarHBondContact O-N 3.2Å; K1077-F1079 VanDerWaalsContact C-N 3.26Å; K1077-F1079 PolarHBondContact O-N 2.98Å; K1077-E1080 PolarHBondContact O-N 3.22Å; K1077-E1081 IonicContact NZ-OE1 2.68Å; K1077-E1081 PolarHBondContact NZ-OE1 3.18Å; K1077-E1081 WeakPolarHBondContact O-CG 3.33Å; K1077-E1081 PolarHBondContact O-N 2.78Å |
| 1078 | L | 82 | Confident | 84.5 | Confident | 112 Ų | 112 | 104 Ų | 104 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -32.3 | 173.5 | -74.5 | 168.2 | 0 | 0 | 0 | 112.2 | N1074 Q1075 S1082 | N1074-L1078 PolarHBondContact O-N 3.22Å; N1074-L1078 VanDerWaalsContact O-N 3.13Å; Q1075-L1078 PolarHBondContact O-N 3.02Å; L1078-S1082 PolarHBondContact O-N 2.67Å; L1078-S1082 PolarHBondContact O-OG 3.07Å; L1078-S1082 VanDerWaalsContact O-OG 3.13Å |
| 1079 | F | 85.6 | Confident | 84.7 | Confident | 117 Ų | 117 | 103.8 Ų | 103.8 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.9 | -40.7 | 174.7 | -174.4 | -107.8 | 0 | 0 | 0 | 111.9 | Q1075 L1076 K1077 S1082 Q1083 | Q1075-F1079 WeakPolarHBondContact O-CB 2.97Å; Q1075-F1079 PolarHBondContact O-N 3.5Å; L1076-F1079 WeakPolarHBondContact O-CB 3.26Å; L1076-F1079 PolarHBondContact O-N 3.17Å; L1076-F1079 VanDerWaalsContact O-N 3.14Å; K1077-F1079 VanDerWaalsContact C-N 3.26Å; K1077-F1079 PolarHBondContact O-N 2.98Å; F1079-S1082 WeakPolarHBondContact CA-OG 3.01Å; F1079-S1082 PolarHBondContact O-N 2.93Å; F1079-S1082 PolarHBondContact O-OG 3.35Å; F1079-Q1083 HydrophobicContact CE1-CG 4.32Å; F1079-Q1083 HydrophobicContact CZ-CG 4.39Å; F1079-Q1083 WeakPolarHBondContact O-CG 3.33Å; F1079-Q1083 PolarHBondContact O-N 3.13Å |
| 1080 | E | 87.6 | Confident | 84.7 | Confident | 125 Ų | 125 | 102.5 Ų | 102.5 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 172.1 | -70 | 171.9 | 166.4 | 0 | 0 | 111.9 | L1076 K1077 S1082 Q1083 Q1084 | L1076-E1080 WeakPolarHBondContact O-CG 3.41Å; L1076-E1080 PolarHBondContact O-N 3.25Å; K1077-E1080 PolarHBondContact O-N 3.22Å; E1080-S1082 PolarHBondContact O-N 2.88Å; E1080-Q1083 PolarHBondContact O-N 3.36Å; E1080-Q1084 PolarHBondContact O-N 2.97Å |
| 1081 | E | 85.4 | Confident | 84.8 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 176.9 | -73.4 | 170.2 | -175.8 | 0 | 0 | 112.6 | K1077 T1085 | K1077-E1081 IonicContact NZ-OE1 2.68Å; K1077-E1081 PolarHBondContact NZ-OE1 3.18Å; K1077-E1081 WeakPolarHBondContact O-CG 3.33Å; K1077-E1081 PolarHBondContact O-N 2.78Å; E1081-T1085 PolarHBondContact O-N 2.77Å; E1081-T1085 PolarHBondContact O-OG1 3.05Å |
| 1082 | S | 79 | Confident | 84.7 | Confident | 49 Ų | 49 | 103.7 Ų | 103.7 | 34% | 0.343 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.7 | -37 | 174.5 | 61 | 0 | 0 | 0 | 0 | 113.2 | L1078 F1079 E1080 T1085 I1086 | L1078-S1082 PolarHBondContact O-N 2.67Å; L1078-S1082 PolarHBondContact O-OG 3.07Å; L1078-S1082 VanDerWaalsContact O-OG 3.13Å; F1079-S1082 WeakPolarHBondContact CA-OG 3.01Å; F1079-S1082 PolarHBondContact O-N 2.93Å; F1079-S1082 PolarHBondContact O-OG 3.35Å; E1080-S1082 PolarHBondContact O-N 2.88Å; S1082-T1085 PolarHBondContact O-N 3.34Å; S1082-I1086 VanDerWaalsContact O-CG1 3.32Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.27Å; S1082-I1086 PolarHBondContact O-N 3.49Å |
| 1083 | Q | 85.4 | Confident | 84.6 | Confident | 111 Ų | 111 | 101.8 Ų | 101.8 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 173.5 | -75.9 | -155.6 | 2.2 | 0 | 0 | 112.6 | F1079 E1080 T1085 I1086 Y1087 | F1079-Q1083 HydrophobicContact CE1-CG 4.32Å; F1079-Q1083 HydrophobicContact CZ-CG 4.39Å; F1079-Q1083 WeakPolarHBondContact O-CG 3.33Å; F1079-Q1083 PolarHBondContact O-N 3.13Å; E1080-Q1083 PolarHBondContact O-N 3.36Å; Q1083-T1085 VanDerWaalsContact C-N 3.32Å; Q1083-T1085 PolarHBondContact O-N 3.2Å; Q1083-I1086 PolarHBondContact O-N 3.28Å; Q1083-Y1087 PolarHBondContact O-N 3.37Å |
| 1084 | Q | 83.9 | Confident | 84.6 | Confident | 101 Ų | 101 | 104.4 Ų | 104.4 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.2 | -177.2 | 58 | 54 | 0 | 0 | 111.3 | E1080 I1086 Y1087 D1088 | E1080-Q1084 PolarHBondContact O-N 2.97Å; Q1084-I1086 PolarHBondContact O-N 3.38Å; Q1084-Y1087 WeakPolarHBondContact O-CB 3.39Å; Q1084-Y1087 PolarHBondContact O-N 3.06Å; Q1084-D1088 PolarHBondContact NE2-OD1 3.32Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.95Å; Q1084-D1088 PolarHBondContact O-N 3Å |
| 1085 | T | 84.4 | Confident | 84.4 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.9 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | E1081 S1082 Q1083 D1088 L1089 | E1081-T1085 PolarHBondContact O-N 2.77Å; E1081-T1085 PolarHBondContact O-OG1 3.05Å; S1082-T1085 PolarHBondContact O-N 3.34Å; Q1083-T1085 VanDerWaalsContact C-N 3.32Å; Q1083-T1085 PolarHBondContact O-N 3.2Å; T1085-D1088 PolarHBondContact O-N 3.3Å; T1085-L1089 HydrophobicContact CG2-CD1 4.3Å; T1085-L1089 WeakPolarHBondContact O-CG 3.31Å; T1085-L1089 PolarHBondContact O-N 3.26Å; T1085-L1089 VanDerWaalsContact O-N 3.08Å |
| 1086 | I | 84.5 | Confident | 84.4 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 175.7 | -69.6 | 163.5 | 0 | 0 | 0 | 111.2 | S1082 Q1083 Q1084 L1089 N1090 | S1082-I1086 VanDerWaalsContact O-CG1 3.32Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.27Å; S1082-I1086 PolarHBondContact O-N 3.49Å; Q1083-I1086 PolarHBondContact O-N 3.28Å; Q1084-I1086 PolarHBondContact O-N 3.38Å; I1086-L1089 PolarHBondContact O-N 2.86Å; I1086-N1090 WeakPolarHBondContact O-CB 3.5Å; I1086-N1090 VanDerWaalsContact O-CG 3.25Å; I1086-N1090 PolarHBondContact O-N 3.22Å; I1086-N1090 PolarHBondContact O-ND2 3.46Å |
| 1087 | Y | 88.1 | Confident | 84.3 | Confident | 148 Ų | 148 | 102.6 Ų | 102.6 | 58% | 0.58 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 176.7 | 178.3 | -93.1 | 0 | 0 | 0 | 112.3 | Q1083 Q1084 L1089 N1090 K1091 | Q1083-Y1087 PolarHBondContact O-N 3.37Å; Q1084-Y1087 WeakPolarHBondContact O-CB 3.39Å; Q1084-Y1087 PolarHBondContact O-N 3.06Å; Y1087-L1089 PolarHBondContact O-N 3.13Å; Y1087-N1090 PolarHBondContact O-N 2.92Å; Y1087-K1091 PolarHBondContact O-N 3.38Å; Y1087-K1091 VanDerWaalsContact O-N 3.08Å |
| 1088 | D | 86.3 | Confident | 84.1 | Confident | 71 Ų | 71 | 103.5 Ų | 103.5 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.1 | -27.1 | 179.9 | -68.2 | -41.6 | 0 | 0 | 0 | 113.2 | Q1084 T1085 Q1092 | Q1084-D1088 PolarHBondContact NE2-OD1 3.32Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.95Å; Q1084-D1088 PolarHBondContact O-N 3Å; T1085-D1088 PolarHBondContact O-N 3.3Å; D1088-Q1092 PolarHBondContact O-N 2.82Å; D1088-Q1092 PolarHBondContact O-NE2 3.11Å |
| 1089 | L | 86.1 | Confident | 84.2 | Confident | 94 Ų | 94 | 105 Ų | 105 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72 | -45.4 | 169.7 | -74.1 | 170.6 | 0 | 0 | 0 | 112 | T1085 I1086 Y1087 K1091 Q1092 L1093 | T1085-L1089 HydrophobicContact CG2-CD1 4.3Å; T1085-L1089 WeakPolarHBondContact O-CG 3.31Å; T1085-L1089 PolarHBondContact O-N 3.26Å; T1085-L1089 VanDerWaalsContact O-N 3.08Å; I1086-L1089 PolarHBondContact O-N 2.86Å; Y1087-L1089 PolarHBondContact O-N 3.13Å; L1089-K1091 PolarHBondContact O-N 3.16Å; L1089-Q1092 WeakPolarHBondContact O-CB 3.26Å; L1089-Q1092 PolarHBondContact O-N 3.04Å; L1089-L1093 PolarHBondContact O-N 2.93Å |
| 1090 | N | 85.2 | Confident | 83.9 | Confident | 92 Ų | 92 | 102.8 Ų | 102.8 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 176.5 | -75.6 | -16.8 | 0 | 0 | 0 | 111.8 | I1086 Y1087 Q1092 L1093 E1094 | I1086-N1090 WeakPolarHBondContact O-CB 3.5Å; I1086-N1090 VanDerWaalsContact O-CG 3.25Å; I1086-N1090 PolarHBondContact O-N 3.22Å; I1086-N1090 PolarHBondContact O-ND2 3.46Å; Y1087-N1090 PolarHBondContact O-N 2.92Å; N1090-Q1092 VanDerWaalsContact C-N 3.33Å; N1090-Q1092 PolarHBondContact O-N 3.24Å; N1090-L1093 PolarHBondContact O-N 3.49Å; N1090-E1094 PolarHBondContact O-N 3.3Å |
| 1091 | K | 86.8 | Confident | 83.7 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -30.9 | 175.7 | -169.3 | 179.7 | 177.5 | -173.8 | 0 | 113.5 | Y1087 L1089 L1095 | Y1087-K1091 PolarHBondContact O-N 3.38Å; Y1087-K1091 VanDerWaalsContact O-N 3.08Å; L1089-K1091 PolarHBondContact O-N 3.16Å; K1091-L1095 PolarHBondContact O-N 2.86Å |
| 1092 | Q | 83.6 | Confident | 83.6 | Confident | 118 Ų | 118 | 105.4 Ų | 105.4 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.1 | -39.8 | 172.3 | -73.5 | 176.3 | 72.3 | 0 | 0 | 111.5 | D1088 L1089 N1090 L1095 I1096 | D1088-Q1092 PolarHBondContact O-N 2.82Å; D1088-Q1092 PolarHBondContact O-NE2 3.11Å; L1089-Q1092 WeakPolarHBondContact O-CB 3.26Å; L1089-Q1092 PolarHBondContact O-N 3.04Å; N1090-Q1092 VanDerWaalsContact C-N 3.33Å; N1090-Q1092 PolarHBondContact O-N 3.24Å; Q1092-L1095 PolarHBondContact O-N 3.49Å; Q1092-I1096 VanDerWaalsContact O-CG1 3.31Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; Q1092-I1096 PolarHBondContact O-N 3.42Å |
| 1093 | L | 81.4 | Confident | 83.6 | Confident | 101 Ų | 101 | 108.4 Ų | 108.4 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 172.8 | -72.8 | 168.7 | 0 | 0 | 0 | 111.5 | L1089 N1090 L1095 I1096 T1097 | L1089-L1093 PolarHBondContact O-N 2.93Å; N1090-L1093 PolarHBondContact O-N 3.49Å; L1093-L1095 PolarHBondContact O-N 2.89Å; L1093-I1096 CarbonylContact O-C 3.56Å; L1093-I1096 PolarHBondContact O-N 3.35Å; L1093-I1096 VanDerWaalsContact O-N 3.1Å; L1093-T1097 WeakPolarHBondContact O-CB 3.29Å; L1093-T1097 PolarHBondContact O-N 3.05Å; L1093-T1097 PolarHBondContact O-OG1 2.91Å |
| 1094 | E | 83.7 | Confident | 83.3 | Confident | 143 Ų | 143 | 106.4 Ų | 106.4 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.3 | -43.8 | 176.6 | -169.3 | 171.6 | -145.1 | 0 | 0 | 112.2 | N1090 T1097 E1098 | N1090-E1094 PolarHBondContact O-N 3.3Å; E1094-T1097 PolarHBondContact O-N 3.32Å; E1094-E1098 PolarHBondContact O-N 2.93Å |
| 1095 | L | 82.8 | Confident | 83.3 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 174.1 | -84.2 | 163.8 | 0 | 0 | 0 | 113.8 | K1091 Q1092 L1093 K1099 | K1091-L1095 PolarHBondContact O-N 2.86Å; Q1092-L1095 PolarHBondContact O-N 3.49Å; L1093-L1095 PolarHBondContact O-N 2.89Å; L1095-K1099 WeakPolarHBondContact O-CG 3.35Å; L1095-K1099 PolarHBondContact O-N 3.36Å |
| 1096 | I | 80.2 | Confident | 83 | Confident | 105 Ų | 105 | 106.8 Ų | 106.8 | 54% | 0.538 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.6 | -40.9 | 174.6 | -69.6 | 165.3 | 0 | 0 | 0 | 110 | Q1092 L1093 K1099 S1100 | Q1092-I1096 VanDerWaalsContact O-CG1 3.31Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; Q1092-I1096 PolarHBondContact O-N 3.42Å; L1093-I1096 CarbonylContact O-C 3.56Å; L1093-I1096 PolarHBondContact O-N 3.35Å; L1093-I1096 VanDerWaalsContact O-N 3.1Å; I1096-K1099 PolarHBondContact O-N 3Å; I1096-S1100 WeakPolarHBondContact O-CB 3.22Å; I1096-S1100 PolarHBondContact O-N 3.08Å |
| 1097 | T | 82.7 | Confident | 82.6 | Confident | 75 Ų | 75 | 107.8 Ų | 107.8 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.4 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | L1093 E1094 K1099 S1100 N1101 | L1093-T1097 WeakPolarHBondContact O-CB 3.29Å; L1093-T1097 PolarHBondContact O-N 3.05Å; L1093-T1097 PolarHBondContact O-OG1 2.91Å; E1094-T1097 PolarHBondContact O-N 3.32Å; T1097-K1099 PolarHBondContact O-N 2.77Å; T1097-S1100 PolarHBondContact O-N 2.84Å; T1097-N1101 WeakPolarHBondContact O-CB 3.26Å; T1097-N1101 PolarHBondContact O-N 3.08Å; T1097-N1101 PolarHBondContact O-ND2 3.16Å |
| 1098 | E | 82.5 | Confident | 82.1 | Confident | 136 Ų | 136 | 103.7 Ų | 103.7 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 174.7 | -172.3 | 178 | -152.3 | 0 | 0 | 111.8 | E1094 R1102 | E1094-E1098 PolarHBondContact O-N 2.93Å; E1098-R1102 WeakPolarHBondContact O-CB 3.39Å; E1098-R1102 PolarHBondContact O-N 3.11Å |
| 1099 | K | 83.7 | Confident | 81.8 | Confident | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 173.9 | -75.6 | 177.7 | 178.2 | -178 | 0 | 112.5 | L1095 I1096 T1097 R1102 L1103 | L1095-K1099 WeakPolarHBondContact O-CG 3.35Å; L1095-K1099 PolarHBondContact O-N 3.36Å; I1096-K1099 PolarHBondContact O-N 3Å; T1097-K1099 PolarHBondContact O-N 2.77Å; K1099-R1102 PolarHBondContact O-N 3.45Å; K1099-L1103 WeakPolarHBondContact O-CG 3.48Å; K1099-L1103 PolarHBondContact O-N 2.72Å |
| 1100 | S | 79.3 | Confident | 81.5 | Confident | 69 Ų | 69 | 108 Ų | 108 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 178.3 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | I1096 T1097 R1102 L1103 S1104 | I1096-S1100 WeakPolarHBondContact O-CB 3.22Å; I1096-S1100 PolarHBondContact O-N 3.08Å; T1097-S1100 PolarHBondContact O-N 2.84Å; S1100-R1102 VanDerWaalsContact C-N 3.3Å; S1100-R1102 PolarHBondContact O-N 3Å; S1100-L1103 PolarHBondContact O-N 3.38Å; S1100-S1104 WeakPolarHBondContact O-CB 3.48Å; S1100-S1104 PolarHBondContact O-N 2.84Å |
| 1101 | N | 82.7 | Confident | 81 | Confident | 104 Ų | 104 | 108.2 Ų | 108.2 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -38.6 | 176.2 | -70.5 | -17.1 | 0 | 0 | 0 | 112 | T1097 K1105 | T1097-N1101 WeakPolarHBondContact O-CB 3.26Å; T1097-N1101 PolarHBondContact O-N 3.08Å; T1097-N1101 PolarHBondContact O-ND2 3.16Å; N1101-K1105 WeakPolarHBondContact O-CB 3.44Å; N1101-K1105 PolarHBondContact O-N 3.01Å |
| 1102 | R | 84.2 | Confident | 80.6 | Confident | 168 Ų | 168 | 106.3 Ų | 106.3 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.3 | -46.7 | 174.7 | -178.6 | 178.9 | 164.4 | -157.7 | -16.5 | 112 | E1098 K1099 S1100 K1105 E1106 | E1098-R1102 WeakPolarHBondContact O-CB 3.39Å; E1098-R1102 PolarHBondContact O-N 3.11Å; K1099-R1102 PolarHBondContact O-N 3.45Å; S1100-R1102 VanDerWaalsContact C-N 3.3Å; S1100-R1102 PolarHBondContact O-N 3Å; R1102-K1105 PolarHBondContact O-N 3.23Å; R1102-E1106 IonicContact CZ-OE1 3.77Å; R1102-E1106 IonicContact NE-OE1 2.77Å; R1102-E1106 PolarHBondContact NE-OE1 2.82Å; R1102-E1106 IonicContact NH2-OE1 3.93Å; R1102-E1106 PolarHBondContact NH2-OE1 2.78Å; R1102-E1106 PolarHBondContact O-N 3.38Å |
| 1103 | L | 78.3 | Confident | 80.5 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | 177.6 | -75.2 | 169.2 | 0 | 0 | 0 | 111.5 | K1099 S1100 K1105 E1106 L1107 | K1099-L1103 WeakPolarHBondContact O-CG 3.48Å; K1099-L1103 PolarHBondContact O-N 2.72Å; S1100-L1103 PolarHBondContact O-N 3.38Å; L1103-K1105 VanDerWaalsContact C-N 3.33Å; L1103-K1105 PolarHBondContact O-N 3.05Å; L1103-E1106 PolarHBondContact O-N 3.1Å; L1103-L1107 WeakPolarHBondContact O-CB 3.26Å; L1103-L1107 PolarHBondContact O-N 3.13Å |
| 1104 | S | 79.3 | Confident | 80.1 | Confident | 69 Ų | 69 | 105.7 Ų | 105.7 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59 | -41.3 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | S1100 L1107 T1108 | S1100-S1104 WeakPolarHBondContact O-CB 3.48Å; S1100-S1104 PolarHBondContact O-N 2.84Å; S1104-L1107 PolarHBondContact O-N 2.84Å; S1104-T1108 WeakPolarHBondContact O-CG2 3.44Å; S1104-T1108 PolarHBondContact O-N 2.72Å; S1104-T1108 PolarHBondContact O-OG1 2.9Å; S1104-T1108 VanDerWaalsContact O-OG1 3.05Å |
| 1105 | K | 83.7 | Confident | 79.6 | Confident | 116 Ų | 116 | 102.9 Ų | 102.9 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 173.5 | -172.1 | 172.2 | 179.3 | -66.4 | 0 | 112.8 | N1101 R1102 L1103 L1107 T1108 E1109 | N1101-K1105 WeakPolarHBondContact O-CB 3.44Å; N1101-K1105 PolarHBondContact O-N 3.01Å; R1102-K1105 PolarHBondContact O-N 3.23Å; L1103-K1105 VanDerWaalsContact C-N 3.33Å; L1103-K1105 PolarHBondContact O-N 3.05Å; K1105-L1107 PolarHBondContact O-N 3.37Å; K1105-T1108 WeakPolarHBondContact CA-OG1 3.37Å; K1105-T1108 PolarHBondContact O-N 3.39Å; K1105-T1108 PolarHBondContact O-OG1 3.47Å; K1105-T1108 VanDerWaalsContact O-OG1 3.05Å; K1105-E1109 IonicContact NZ-OE1 3.24Å; K1105-E1109 PolarHBondContact NZ-OE1 3.46Å; K1105-E1109 IonicContact NZ-OE2 2.65Å; K1105-E1109 WeakPolarHBondContact O-CB 3.27Å; K1105-E1109 WeakPolarHBondContact O-CG 3.29Å; K1105-E1109 PolarHBondContact O-N 3.28Å |
| 1106 | E | 77.9 | Confident | 79.5 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 35% | 0.35 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -26.4 | 176.1 | -73 | 178.9 | -164.7 | 0 | 0 | 112.5 | R1102 L1103 K1110 | R1102-E1106 IonicContact CZ-OE1 3.77Å; R1102-E1106 IonicContact NE-OE1 2.77Å; R1102-E1106 PolarHBondContact NE-OE1 2.82Å; R1102-E1106 IonicContact NH2-OE1 3.93Å; R1102-E1106 PolarHBondContact NH2-OE1 2.78Å; R1102-E1106 PolarHBondContact O-N 3.38Å; L1103-E1106 PolarHBondContact O-N 3.1Å; E1106-K1110 WeakPolarHBondContact O-CG 3.27Å; E1106-K1110 PolarHBondContact O-N 2.65Å |
| 1107 | L | 76.7 | Confident | 79.3 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76.1 | -49.8 | 175.1 | -152.9 | 140 | 0 | 0 | 0 | 111 | L1103 S1104 K1105 E1109 K1110 E1111 | L1103-L1107 WeakPolarHBondContact O-CB 3.26Å; L1103-L1107 PolarHBondContact O-N 3.13Å; S1104-L1107 PolarHBondContact O-N 2.84Å; K1105-L1107 PolarHBondContact O-N 3.37Å; L1107-E1109 VanDerWaalsContact C-N 3.3Å; L1107-E1109 PolarHBondContact O-N 2.98Å; L1107-K1110 PolarHBondContact O-N 2.95Å; L1107-E1111 WeakPolarHBondContact O-CB 3.43Å; L1107-E1111 PolarHBondContact O-N 3.14Å |
| 1108 | T | 77.5 | Confident | 78.7 | Confident | 62 Ų | 62 | 102.5 Ų | 102.5 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -31.6 | 175.4 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | S1104 K1105 T1112 | S1104-T1108 WeakPolarHBondContact O-CG2 3.44Å; S1104-T1108 PolarHBondContact O-N 2.72Å; S1104-T1108 PolarHBondContact O-OG1 2.9Å; S1104-T1108 VanDerWaalsContact O-OG1 3.05Å; K1105-T1108 WeakPolarHBondContact CA-OG1 3.37Å; K1105-T1108 PolarHBondContact O-N 3.39Å; K1105-T1108 PolarHBondContact O-OG1 3.47Å; K1105-T1108 VanDerWaalsContact O-OG1 3.05Å; T1108-T1112 WeakPolarHBondContact O-CB 3.45Å; T1108-T1112 WeakPolarHBondContact O-CG2 3.29Å; T1108-T1112 PolarHBondContact O-N 2.78Å; T1108-T1112 PolarHBondContact O-OG1 3.01Å |
| 1109 | E | 80.4 | Confident | 78.3 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | 172.2 | -77.5 | 179.8 | 176.3 | 0 | 0 | 112.6 | K1105 L1107 T1112 V1113 | K1105-E1109 IonicContact NZ-OE1 3.24Å; K1105-E1109 PolarHBondContact NZ-OE1 3.46Å; K1105-E1109 IonicContact NZ-OE2 2.65Å; K1105-E1109 WeakPolarHBondContact O-CB 3.27Å; K1105-E1109 WeakPolarHBondContact O-CG 3.29Å; K1105-E1109 PolarHBondContact O-N 3.28Å; L1107-E1109 VanDerWaalsContact C-N 3.3Å; L1107-E1109 PolarHBondContact O-N 2.98Å; E1109-T1112 PolarHBondContact O-OG1 2.98Å; E1109-V1113 WeakPolarHBondContact O-CG2 3.33Å; E1109-V1113 PolarHBondContact O-N 2.78Å |
| 1110 | K | 79.7 | Confident | 77.8 | Confident | 159 Ų | 159 | 100 Ų | 100 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.5 | -40.6 | 172.1 | -74.8 | 176.9 | 177.9 | 178.9 | 0 | 112.4 | E1106 L1107 V1113 L1114 | E1106-K1110 WeakPolarHBondContact O-CG 3.27Å; E1106-K1110 PolarHBondContact O-N 2.65Å; L1107-K1110 PolarHBondContact O-N 2.95Å; K1110-V1113 PolarHBondContact O-N 3.31Å; K1110-L1114 WeakPolarHBondContact O-CB 3.38Å; K1110-L1114 PolarHBondContact O-N 3.46Å |
| 1111 | E | 74.3 | Confident | 77.5 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.8 | -172.7 | 174.9 | -154.4 | 0 | 0 | 111.3 | L1107 V1113 L1114 N1115 | L1107-E1111 WeakPolarHBondContact O-CB 3.43Å; L1107-E1111 PolarHBondContact O-N 3.14Å; E1111-V1113 PolarHBondContact O-N 3.43Å; E1111-L1114 PolarHBondContact O-N 2.89Å; E1111-N1115 WeakPolarHBondContact O-CB 3.48Å; E1111-N1115 PolarHBondContact O-N 3.23Å; E1111-N1115 PolarHBondContact O-ND2 3.24Å; E1111-N1115 PolarHBondContact O-OD1 2.98Å |
| 1112 | T | 78.8 | Confident | 77 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 173 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | T1108 E1109 N1116 | T1108-T1112 WeakPolarHBondContact O-CB 3.45Å; T1108-T1112 WeakPolarHBondContact O-CG2 3.29Å; T1108-T1112 PolarHBondContact O-N 2.78Å; T1108-T1112 PolarHBondContact O-OG1 3.01Å; E1109-T1112 PolarHBondContact O-OG1 2.98Å; T1112-N1116 WeakPolarHBondContact O-CB 3.41Å; T1112-N1116 VanDerWaalsContact O-CG 3.27Å; T1112-N1116 PolarHBondContact O-N 3.27Å; T1112-N1116 VanDerWaalsContact O-N 3.09Å; T1112-N1116 PolarHBondContact O-ND2 3.17Å |
| 1113 | V | 80 | Confident | 76.9 | Confident | 94 Ų | 94 | 94 Ų | 94 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 172.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | E1109 K1110 E1111 N1116 T1117 | E1109-V1113 WeakPolarHBondContact O-CG2 3.33Å; E1109-V1113 PolarHBondContact O-N 2.78Å; K1110-V1113 PolarHBondContact O-N 3.31Å; E1111-V1113 PolarHBondContact O-N 3.43Å; V1113-N1116 PolarHBondContact O-N 3.5Å; V1113-T1117 PolarHBondContact O-N 2.85Å; V1113-T1117 PolarHBondContact O-OG1 3.03Å |
| 1114 | L | 73.3 | Confident | 76.9 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.6 | -47.6 | 178.4 | -176.6 | 63.8 | 0 | 0 | 0 | 111.3 | K1110 E1111 N1116 T1117 L1118 | K1110-L1114 WeakPolarHBondContact O-CB 3.38Å; K1110-L1114 PolarHBondContact O-N 3.46Å; E1111-L1114 PolarHBondContact O-N 2.89Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; L1114-N1116 PolarHBondContact O-N 2.88Å; L1114-T1117 WeakPolarHBondContact CA-OG1 3.17Å; L1114-T1117 CarbonylContact O-C 3.58Å; L1114-T1117 PolarHBondContact O-N 2.98Å; L1114-T1117 VanDerWaalsContact O-N 3.11Å; L1114-T1117 PolarHBondContact O-OG1 3.41Å; L1114-L1118 WeakPolarHBondContact O-CB 3.1Å; L1114-L1118 PolarHBondContact O-N 3.27Å |
| 1115 | N | 74.5 | Confident | 76.8 | Confident | 84 Ų | 84 | 93.1 Ų | 93.1 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 179.1 | -67.1 | -7 | 0 | 0 | 0 | 111.9 | E1111 L1118 E1119 | E1111-N1115 WeakPolarHBondContact O-CB 3.48Å; E1111-N1115 PolarHBondContact O-N 3.23Å; E1111-N1115 PolarHBondContact O-ND2 3.24Å; E1111-N1115 PolarHBondContact O-OD1 2.98Å; N1115-L1118 PolarHBondContact O-N 3.16Å; N1115-E1119 WeakPolarHBondContact O-CB 3.41Å; N1115-E1119 PolarHBondContact O-N 3Å |
| 1116 | N | 79.2 | Confident | 76.5 | Confident | 102 Ų | 102 | 91 Ų | 91 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 172.4 | -76.1 | -53 | 0 | 0 | 0 | 112 | T1112 V1113 L1114 E1120 | T1112-N1116 WeakPolarHBondContact O-CB 3.41Å; T1112-N1116 VanDerWaalsContact O-CG 3.27Å; T1112-N1116 PolarHBondContact O-N 3.27Å; T1112-N1116 VanDerWaalsContact O-N 3.09Å; T1112-N1116 PolarHBondContact O-ND2 3.17Å; V1113-N1116 PolarHBondContact O-N 3.5Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; L1114-N1116 PolarHBondContact O-N 2.88Å; N1116-E1120 PolarHBondContact O-N 3.16Å |
| 1117 | T | 76 | Confident | 76.5 | Confident | 86 Ų | 86 | 90.1 Ų | 90.1 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.8 | -30.6 | 174.8 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | V1113 L1114 E1120 S1121 | V1113-T1117 PolarHBondContact O-N 2.85Å; V1113-T1117 PolarHBondContact O-OG1 3.03Å; L1114-T1117 WeakPolarHBondContact CA-OG1 3.17Å; L1114-T1117 CarbonylContact O-C 3.58Å; L1114-T1117 PolarHBondContact O-N 2.98Å; L1114-T1117 VanDerWaalsContact O-N 3.11Å; L1114-T1117 PolarHBondContact O-OG1 3.41Å; T1117-E1120 PolarHBondContact O-N 2.7Å; T1117-S1121 PolarHBondContact O-N 2.93Å |
| 1118 | L | 71.9 | Confident | 76.4 | Confident | 77 Ų | 77 | 89.7 Ų | 89.7 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.5 | -47.5 | 173.9 | -172.7 | 61.9 | 0 | 0 | 0 | 110.5 | L1114 N1115 E1120 S1121 D1122 | L1114-L1118 WeakPolarHBondContact O-CB 3.1Å; L1114-L1118 PolarHBondContact O-N 3.27Å; N1115-L1118 PolarHBondContact O-N 3.16Å; L1118-E1120 PolarHBondContact O-N 3.21Å; L1118-S1121 CarbonylContact O-C 3.55Å; L1118-S1121 WeakPolarHBondContact O-CA 3.45Å; L1118-S1121 VanDerWaalsContact O-CB 3.28Å; L1118-S1121 WeakPolarHBondContact O-CB 3.43Å; L1118-S1121 PolarHBondContact O-N 3.31Å; L1118-D1122 VanDerWaalsContact O-CG 3.26Å; L1118-D1122 PolarHBondContact O-N 3.49Å |
| 1119 | E | 73.7 | Confident | 76.3 | Confident | 108 Ų | 108 | 90.4 Ų | 90.4 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -29.3 | 175.5 | -159.9 | -154.4 | 114.5 | 0 | 0 | 112.1 | N1115 K1123 | N1115-E1119 WeakPolarHBondContact O-CB 3.41Å; N1115-E1119 PolarHBondContact O-N 3Å; E1119-K1123 VanDerWaalsContact C-NZ 3.34Å; E1119-K1123 WeakPolarHBondContact O-CD 3.49Å; E1119-K1123 WeakPolarHBondContact O-CE 3.44Å; E1119-K1123 VanDerWaalsContact O-CG 3.22Å; E1119-K1123 WeakPolarHBondContact O-CG 3.44Å; E1119-K1123 PolarHBondContact O-N 2.67Å; E1119-K1123 PolarHBondContact O-NZ 3.07Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.45Å; E1119-K1123 IonicContact OE1-NZ 2.71Å; E1119-K1123 PolarHBondContact OE1-NZ 3.34Å |
| 1120 | E | 73.2 | Confident | 76.3 | Confident | 118 Ų | 118 | 89.1 Ų | 89.1 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -76.2 | -37.2 | 172.7 | -155.9 | 70.4 | 174.5 | 0 | 0 | 112 | N1116 T1117 L1118 K1123 V1124 | N1116-E1120 PolarHBondContact O-N 3.16Å; T1117-E1120 PolarHBondContact O-N 2.7Å; L1118-E1120 PolarHBondContact O-N 3.21Å; E1120-K1123 PolarHBondContact O-N 3.43Å; E1120-K1123 IonicContact OE2-NZ 2.68Å; E1120-K1123 PolarHBondContact OE2-NZ 3.14Å; E1120-V1124 WeakPolarHBondContact O-CG2 3.39Å; E1120-V1124 PolarHBondContact O-N 2.87Å |
| 1121 | S | 72.1 | Confident | 76.3 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 41% | 0.413 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 170.9 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | T1117 L1118 K1123 V1124 V1125 | T1117-S1121 PolarHBondContact O-N 2.93Å; L1118-S1121 CarbonylContact O-C 3.55Å; L1118-S1121 WeakPolarHBondContact O-CA 3.45Å; L1118-S1121 VanDerWaalsContact O-CB 3.28Å; L1118-S1121 WeakPolarHBondContact O-CB 3.43Å; L1118-S1121 PolarHBondContact O-N 3.31Å; S1121-K1123 VanDerWaalsContact C-N 3.3Å; S1121-K1123 PolarHBondContact O-N 3.36Å; S1121-V1124 CarbonylContact O-C 3.55Å; S1121-V1124 WeakPolarHBondContact O-CA 2.84Å; S1121-V1124 WeakPolarHBondContact O-CB 3.31Å; S1121-V1124 PolarHBondContact O-N 3.36Å; S1121-V1125 WeakPolarHBondContact O-CG2 3.4Å; S1121-V1125 PolarHBondContact O-N 3.33Å |
| 1122 | D | 73.1 | Confident | 76.4 | Confident | 69 Ų | 69 | 86.6 Ų | 86.6 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -33 | -179.2 | -64.7 | -26.3 | 0 | 0 | 0 | 112.3 | L1118 S1126 | L1118-D1122 VanDerWaalsContact O-CG 3.26Å; L1118-D1122 PolarHBondContact O-N 3.49Å; D1122-S1126 WeakPolarHBondContact O-CB 3.31Å; D1122-S1126 PolarHBondContact O-N 3.12Å; D1122-S1126 PolarHBondContact O-OG 3.25Å |
| 1123 | K | 81.3 | Confident | 76.3 | Confident | 89 Ų | 89 | 88.1 Ų | 88.1 | 39% | 0.387 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 169.6 | -69.6 | 170.4 | -156.6 | 106.8 | 0 | 111.7 | E1119 E1120 S1121 S1127 | E1119-K1123 VanDerWaalsContact C-NZ 3.34Å; E1119-K1123 WeakPolarHBondContact O-CD 3.49Å; E1119-K1123 WeakPolarHBondContact O-CE 3.44Å; E1119-K1123 VanDerWaalsContact O-CG 3.22Å; E1119-K1123 WeakPolarHBondContact O-CG 3.44Å; E1119-K1123 PolarHBondContact O-N 2.67Å; E1119-K1123 PolarHBondContact O-NZ 3.07Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.45Å; E1119-K1123 IonicContact OE1-NZ 2.71Å; E1119-K1123 PolarHBondContact OE1-NZ 3.34Å; E1120-K1123 PolarHBondContact O-N 3.43Å; E1120-K1123 IonicContact OE2-NZ 2.68Å; E1120-K1123 PolarHBondContact OE2-NZ 3.14Å; S1121-K1123 VanDerWaalsContact C-N 3.3Å; S1121-K1123 PolarHBondContact O-N 3.36Å; K1123-S1127 VanDerWaalsContact O-CB 3.32Å; K1123-S1127 WeakPolarHBondContact O-CB 3.48Å; K1123-S1127 PolarHBondContact O-N 3.45Å |
| 1124 | V | 79.1 | Confident | 76.4 | Confident | 84 Ų | 84 | 87.3 Ų | 87.3 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 111 | E1120 S1121 S1127 L1128 | E1120-V1124 WeakPolarHBondContact O-CG2 3.39Å; E1120-V1124 PolarHBondContact O-N 2.87Å; S1121-V1124 CarbonylContact O-C 3.55Å; S1121-V1124 WeakPolarHBondContact O-CA 2.84Å; S1121-V1124 WeakPolarHBondContact O-CB 3.31Å; S1121-V1124 PolarHBondContact O-N 3.36Å; V1124-S1127 CarbonylContact O-C 3.58Å; V1124-S1127 WeakPolarHBondContact O-CB 3.45Å; V1124-S1127 PolarHBondContact O-N 2.79Å; V1124-L1128 HydrophobicContact CG1-CD1 4.05Å; V1124-L1128 WeakPolarHBondContact O-CG 3.33Å; V1124-L1128 PolarHBondContact O-N 2.83Å |
| 1125 | V | 76.3 | Confident | 76.6 | Confident | 78 Ų | 78 | 87.5 Ų | 87.5 | 47% | 0.473 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | S1121 S1127 L1128 N1129 | S1121-V1125 WeakPolarHBondContact O-CG2 3.4Å; S1121-V1125 PolarHBondContact O-N 3.33Å; V1125-S1127 VanDerWaalsContact C-N 3.31Å; V1125-S1127 PolarHBondContact O-N 3.41Å; V1125-L1128 CarbonylContact O-C 3.54Å; V1125-L1128 WeakPolarHBondContact O-CA 3.22Å; V1125-L1128 PolarHBondContact O-N 2.83Å; V1125-N1129 PolarHBondContact O-N 3.24Å |
| 1126 | S | 77 | Confident | 76.7 | Confident | 70 Ų | 70 | 87.4 Ų | 87.4 | 49% | 0.49 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | D1122 L1128 N1129 T1130 | D1122-S1126 WeakPolarHBondContact O-CB 3.31Å; D1122-S1126 PolarHBondContact O-N 3.12Å; D1122-S1126 PolarHBondContact O-OG 3.25Å; S1126-L1128 VanDerWaalsContact C-N 3.29Å; S1126-L1128 PolarHBondContact O-N 3.46Å; S1126-N1129 PolarHBondContact O-N 3.38Å; S1126-T1130 WeakPolarHBondContact O-CB 3.44Å; S1126-T1130 PolarHBondContact O-N 3.31Å; S1126-T1130 PolarHBondContact O-OG1 3.37Å |
| 1127 | S | 78.3 | Confident | 76.8 | Confident | 58 Ų | 58 | 86 Ų | 86 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.6 | -27.4 | 175.6 | -163.2 | 0 | 0 | 0 | 0 | 113 | K1123 V1124 V1125 K1131 | K1123-S1127 VanDerWaalsContact O-CB 3.32Å; K1123-S1127 WeakPolarHBondContact O-CB 3.48Å; K1123-S1127 PolarHBondContact O-N 3.45Å; V1124-S1127 CarbonylContact O-C 3.58Å; V1124-S1127 WeakPolarHBondContact O-CB 3.45Å; V1124-S1127 PolarHBondContact O-N 2.79Å; V1125-S1127 VanDerWaalsContact C-N 3.31Å; V1125-S1127 PolarHBondContact O-N 3.41Å; S1127-K1131 VanDerWaalsContact O-CG 3.28Å; S1127-K1131 WeakPolarHBondContact O-CG 3.5Å; S1127-K1131 PolarHBondContact O-NZ 3.13Å; S1127-K1131 PolarHBondContact OG-NZ 3.39Å |
| 1128 | L | 75.6 | Confident | 77 | Confident | 104 Ų | 104 | 85.4 Ų | 85.4 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -79.6 | -42.6 | 173.9 | -73.7 | 169.1 | 0 | 0 | 0 | 111.4 | V1124 V1125 S1126 T1130 K1131 Y1132 | V1124-L1128 HydrophobicContact CG1-CD1 4.05Å; V1124-L1128 WeakPolarHBondContact O-CG 3.33Å; V1124-L1128 PolarHBondContact O-N 2.83Å; V1125-L1128 CarbonylContact O-C 3.54Å; V1125-L1128 WeakPolarHBondContact O-CA 3.22Å; V1125-L1128 PolarHBondContact O-N 2.83Å; S1126-L1128 VanDerWaalsContact C-N 3.29Å; S1126-L1128 PolarHBondContact O-N 3.46Å; L1128-T1130 PolarHBondContact O-N 2.81Å; L1128-K1131 CarbonylContact O-C 3.58Å; L1128-K1131 WeakPolarHBondContact O-CA 3.24Å; L1128-K1131 WeakPolarHBondContact O-CB 3.48Å; L1128-K1131 PolarHBondContact O-N 2.8Å; L1128-K1131 VanDerWaalsContact O-N 3.07Å; L1128-Y1132 PolarHBondContact O-N 3.05Å |
| 1129 | N | 74.9 | Confident | 77.2 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 41% | 0.412 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.5 | -169.2 | 69.3 | 0 | 0 | 0 | 111.6 | V1125 S1126 K1131 Y1132 E1133 | V1125-N1129 PolarHBondContact O-N 3.24Å; S1126-N1129 PolarHBondContact O-N 3.38Å; N1129-K1131 PolarHBondContact O-N 2.99Å; N1129-Y1132 WeakPolarHBondContact O-CB 3.41Å; N1129-Y1132 PolarHBondContact O-N 3.44Å; N1129-E1133 PolarHBondContact ND2-OE1 3.41Å; N1129-E1133 PolarHBondContact O-N 3.33Å |
| 1130 | T | 79.2 | Confident | 77.5 | Confident | 71 Ų | 71 | 86.6 Ų | 86.6 | 44% | 0.436 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.1 | -35.6 | 173 | -50.1 | 0 | 0 | 0 | 0 | 111.9 | S1126 L1128 Q1134 | S1126-T1130 WeakPolarHBondContact O-CB 3.44Å; S1126-T1130 PolarHBondContact O-N 3.31Å; S1126-T1130 PolarHBondContact O-OG1 3.37Å; L1128-T1130 PolarHBondContact O-N 2.81Å; T1130-Q1134 WeakPolarHBondContact O-CB 3.28Å; T1130-Q1134 VanDerWaalsContact O-CG 3.25Å; T1130-Q1134 WeakPolarHBondContact O-CG 3.27Å; T1130-Q1134 PolarHBondContact O-N 2.91Å; T1130-Q1134 VanDerWaalsContact O-N 3.15Å |
| 1131 | K | 81.4 | Confident | 78.1 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 25% | 0.248 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -75 | -33.5 | 174.9 | -70.4 | 177.4 | -161.8 | 87.1 | 0 | 112.3 | S1127 L1128 N1129 Q1134 L1135 | S1127-K1131 VanDerWaalsContact O-CG 3.28Å; S1127-K1131 WeakPolarHBondContact O-CG 3.5Å; S1127-K1131 PolarHBondContact O-NZ 3.13Å; S1127-K1131 PolarHBondContact OG-NZ 3.39Å; L1128-K1131 CarbonylContact O-C 3.58Å; L1128-K1131 WeakPolarHBondContact O-CA 3.24Å; L1128-K1131 WeakPolarHBondContact O-CB 3.48Å; L1128-K1131 PolarHBondContact O-N 2.8Å; L1128-K1131 VanDerWaalsContact O-N 3.07Å; N1129-K1131 PolarHBondContact O-N 2.99Å; K1131-Q1134 PolarHBondContact O-N 3.13Å; K1131-L1135 WeakPolarHBondContact O-CB 3.37Å; K1131-L1135 WeakPolarHBondContact O-CG 3.31Å; K1131-L1135 PolarHBondContact O-N 2.72Å |
| 1132 | Y | 74.9 | Confident | 78.5 | Confident | 143 Ų | 143 | 86 Ų | 86 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.5 | -48.9 | 174.8 | 177.8 | -96.4 | 0 | 0 | 0 | 110.8 | L1128 N1129 Q1134 L1135 Q1136 | L1128-Y1132 PolarHBondContact O-N 3.05Å; N1129-Y1132 WeakPolarHBondContact O-CB 3.41Å; N1129-Y1132 PolarHBondContact O-N 3.44Å; Y1132-Q1134 VanDerWaalsContact C-N 3.34Å; Y1132-Q1134 PolarHBondContact O-N 3.39Å; Y1132-L1135 PolarHBondContact O-N 2.93Å; Y1132-Q1136 VanDerWaalsContact CE1-OE1 3.3Å; Y1132-Q1136 WeakPolarHBondContact O-CB 3.4Å; Y1132-Q1136 PolarHBondContact O-N 3.07Å |
| 1133 | E | 77.1 | Confident | 78.7 | Confident | 110 Ų | 110 | 88 Ų | 88 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 174.5 | -71.1 | 174.3 | -165.7 | 0 | 0 | 112.2 | N1129 Q1136 S1137 | N1129-E1133 PolarHBondContact ND2-OE1 3.41Å; N1129-E1133 PolarHBondContact O-N 3.33Å; E1133-Q1136 PolarHBondContact O-N 2.77Å; E1133-S1137 VanDerWaalsContact O-CB 3.31Å; E1133-S1137 WeakPolarHBondContact O-CB 3.3Å; E1133-S1137 PolarHBondContact O-N 3.18Å |
| 1134 | Q | 81.7 | Confident | 78.9 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 173.3 | -77.3 | 175.7 | -3.9 | 0 | 0 | 112.5 | T1130 K1131 Y1132 S1137 E1138 | T1130-Q1134 WeakPolarHBondContact O-CB 3.28Å; T1130-Q1134 VanDerWaalsContact O-CG 3.25Å; T1130-Q1134 WeakPolarHBondContact O-CG 3.27Å; T1130-Q1134 PolarHBondContact O-N 2.91Å; T1130-Q1134 VanDerWaalsContact O-N 3.15Å; K1131-Q1134 PolarHBondContact O-N 3.13Å; Y1132-Q1134 VanDerWaalsContact C-N 3.34Å; Y1132-Q1134 PolarHBondContact O-N 3.39Å; Q1134-S1137 PolarHBondContact O-N 2.82Å; Q1134-E1138 PolarHBondContact O-N 2.83Å |
| 1135 | L | 78.7 | Confident | 79 | Confident | 116 Ų | 116 | 90 Ų | 90 | 61% | 0.607 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.5 | -36.3 | 176.1 | -85.2 | 161.4 | 0 | 0 | 0 | 112.3 | K1131 Y1132 L1139 | K1131-L1135 WeakPolarHBondContact O-CB 3.37Å; K1131-L1135 WeakPolarHBondContact O-CG 3.31Å; K1131-L1135 PolarHBondContact O-N 2.72Å; Y1132-L1135 PolarHBondContact O-N 2.93Å; L1135-L1139 WeakPolarHBondContact O-CB 3.5Å; L1135-L1139 PolarHBondContact O-N 3.25Å |
| 1136 | Q | 76.4 | Confident | 79.3 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 176.7 | -169.4 | 171.8 | 9.9 | 0 | 0 | 111.5 | Y1132 E1133 L1139 Q1140 | Y1132-Q1136 VanDerWaalsContact CE1-OE1 3.3Å; Y1132-Q1136 WeakPolarHBondContact O-CB 3.4Å; Y1132-Q1136 PolarHBondContact O-N 3.07Å; E1133-Q1136 PolarHBondContact O-N 2.77Å; Q1136-L1139 PolarHBondContact O-N 3.42Å; Q1136-Q1140 WeakPolarHBondContact O-CB 3.44Å; Q1136-Q1140 WeakPolarHBondContact O-CG 3.25Å; Q1136-Q1140 PolarHBondContact O-N 2.87Å |
| 1137 | S | 80.8 | Confident | 79.5 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 51% | 0.51 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 173.9 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | E1133 Q1134 L1139 Q1140 K1141 | E1133-S1137 VanDerWaalsContact O-CB 3.31Å; E1133-S1137 WeakPolarHBondContact O-CB 3.3Å; E1133-S1137 PolarHBondContact O-N 3.18Å; Q1134-S1137 PolarHBondContact O-N 2.82Å; S1137-L1139 VanDerWaalsContact C-N 3.34Å; S1137-L1139 PolarHBondContact O-N 3.44Å; S1137-Q1140 PolarHBondContact O-N 2.76Å; S1137-K1141 WeakPolarHBondContact O-CB 3.32Å; S1137-K1141 PolarHBondContact O-N 2.75Å |
| 1138 | E | 80.6 | Confident | 79.8 | Confident | 73 Ų | 73 | 91.6 Ų | 91.6 | 34% | 0.341 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -34 | 172.7 | -81.1 | -66.9 | 152.1 | 0 | 0 | 112.4 | Q1134 K1141 V1142 | Q1134-E1138 PolarHBondContact O-N 2.83Å; E1138-K1141 PolarHBondContact O-N 3.5Å; E1138-K1141 IonicContact OE1-NZ 2.65Å; E1138-K1141 PolarHBondContact OE1-NZ 3.27Å; E1138-K1141 IonicContact OE2-NZ 2.61Å; E1138-K1141 PolarHBondContact OE2-NZ 2.97Å; E1138-V1142 WeakPolarHBondContact O-CB 3.48Å; E1138-V1142 VanDerWaalsContact O-CG2 3.32Å; E1138-V1142 WeakPolarHBondContact O-CG2 3.39Å; E1138-V1142 PolarHBondContact O-N 2.86Å |
| 1139 | L | 76.7 | Confident | 80.2 | Confident | 95 Ų | 95 | 91 Ų | 91 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 172.6 | 178.9 | 61.6 | 0 | 0 | 0 | 111.7 | L1135 Q1136 S1137 K1141 V1142 Q1143 | L1135-L1139 WeakPolarHBondContact O-CB 3.5Å; L1135-L1139 PolarHBondContact O-N 3.25Å; Q1136-L1139 PolarHBondContact O-N 3.42Å; S1137-L1139 VanDerWaalsContact C-N 3.34Å; S1137-L1139 PolarHBondContact O-N 3.44Å; L1139-K1141 VanDerWaalsContact C-N 3.3Å; L1139-K1141 PolarHBondContact O-N 2.74Å; L1139-V1142 PolarHBondContact O-N 3.37Å; L1139-Q1143 HydrophobicContact CD1-CG 4.27Å; L1139-Q1143 WeakPolarHBondContact O-CB 3.19Å; L1139-Q1143 VanDerWaalsContact O-CG 3.23Å; L1139-Q1143 WeakPolarHBondContact O-CG 3.37Å; L1139-Q1143 PolarHBondContact O-N 3.43Å |
| 1140 | Q | 79.7 | Confident | 80.5 | Confident | 115 Ų | 115 | 91.8 Ų | 91.8 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 174.6 | -77 | 177.1 | -9.1 | 0 | 0 | 111.7 | Q1136 S1137 Q1143 L1144 | Q1136-Q1140 WeakPolarHBondContact O-CB 3.44Å; Q1136-Q1140 WeakPolarHBondContact O-CG 3.25Å; Q1136-Q1140 PolarHBondContact O-N 2.87Å; S1137-Q1140 PolarHBondContact O-N 2.76Å; Q1140-Q1143 PolarHBondContact O-N 2.82Å; Q1140-L1144 WeakPolarHBondContact O-CB 3.41Å; Q1140-L1144 PolarHBondContact O-N 3.01Å |
| 1141 | K | 84.2 | Confident | 80.5 | Confident | 86 Ų | 86 | 92.8 Ų | 92.8 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 175.2 | 170.3 | 166.6 | 150.7 | -96.4 | 0 | 112.2 | S1137 E1138 L1139 Q1143 L1144 E1145 | S1137-K1141 WeakPolarHBondContact O-CB 3.32Å; S1137-K1141 PolarHBondContact O-N 2.75Å; E1138-K1141 PolarHBondContact O-N 3.5Å; E1138-K1141 IonicContact OE1-NZ 2.65Å; E1138-K1141 PolarHBondContact OE1-NZ 3.27Å; E1138-K1141 IonicContact OE2-NZ 2.61Å; E1138-K1141 PolarHBondContact OE2-NZ 2.97Å; L1139-K1141 VanDerWaalsContact C-N 3.3Å; L1139-K1141 PolarHBondContact O-N 2.74Å; K1141-Q1143 VanDerWaalsContact C-N 3.34Å; K1141-Q1143 PolarHBondContact O-N 3.34Å; K1141-L1144 PolarHBondContact O-N 3.31Å; K1141-E1145 WeakPolarHBondContact CE-OE1 3.24Å; K1141-E1145 WeakPolarHBondContact CG-OE1 3.43Å; K1141-E1145 WeakPolarHBondContact O-CB 3.46Å; K1141-E1145 WeakPolarHBondContact O-CG 3.45Å; K1141-E1145 PolarHBondContact O-N 2.97Å |
| 1142 | V | 81.7 | Confident | 80.7 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 175.4 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | E1138 L1139 E1145 H1146 | E1138-V1142 WeakPolarHBondContact O-CB 3.48Å; E1138-V1142 VanDerWaalsContact O-CG2 3.32Å; E1138-V1142 WeakPolarHBondContact O-CG2 3.39Å; E1138-V1142 PolarHBondContact O-N 2.86Å; L1139-V1142 PolarHBondContact O-N 3.37Å; V1142-E1145 PolarHBondContact O-N 3.36Å; V1142-H1146 VanDerWaalsContact O-CB 3.25Å; V1142-H1146 WeakPolarHBondContact O-CB 3.18Å; V1142-H1146 PolarHBondContact O-N 3.47Å |
| 1143 | Q | 77.6 | Confident | 81.1 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 172.6 | -75.8 | 171.2 | -16.3 | 0 | 0 | 111.7 | L1139 Q1140 K1141 H1146 A1147 | L1139-Q1143 HydrophobicContact CD1-CG 4.27Å; L1139-Q1143 WeakPolarHBondContact O-CB 3.19Å; L1139-Q1143 VanDerWaalsContact O-CG 3.23Å; L1139-Q1143 WeakPolarHBondContact O-CG 3.37Å; L1139-Q1143 PolarHBondContact O-N 3.43Å; Q1140-Q1143 PolarHBondContact O-N 2.82Å; K1141-Q1143 VanDerWaalsContact C-N 3.34Å; K1141-Q1143 PolarHBondContact O-N 3.34Å; Q1143-H1146 PolarHBondContact O-N 3.49Å; Q1143-A1147 VanDerWaalsContact O-CB 3.27Å; Q1143-A1147 WeakPolarHBondContact O-CB 3.26Å; Q1143-A1147 PolarHBondContact O-N 2.96Å |
| 1144 | L | 84.5 | Confident | 81.3 | Confident | 108 Ų | 108 | 94.3 Ų | 94.3 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.4 | -41.6 | 175.6 | -178.2 | 61.4 | 0 | 0 | 0 | 112 | Q1140 K1141 A1147 N1148 | Q1140-L1144 WeakPolarHBondContact O-CB 3.41Å; Q1140-L1144 PolarHBondContact O-N 3.01Å; K1141-L1144 PolarHBondContact O-N 3.31Å; L1144-A1147 PolarHBondContact O-N 2.76Å; L1144-N1148 VanDerWaalsContact O-CB 3.29Å; L1144-N1148 WeakPolarHBondContact O-CB 3.22Å; L1144-N1148 PolarHBondContact O-N 3.37Å; L1144-N1148 PolarHBondContact O-ND2 2.84Å |
| 1145 | E | 82.3 | Confident | 81.4 | Confident | 109 Ų | 109 | 93.5 Ų | 93.5 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 173.4 | -74.8 | 175.8 | -160.3 | 0 | 0 | 111.4 | K1141 V1142 N1148 M1149 | K1141-E1145 WeakPolarHBondContact CE-OE1 3.24Å; K1141-E1145 WeakPolarHBondContact CG-OE1 3.43Å; K1141-E1145 WeakPolarHBondContact O-CB 3.46Å; K1141-E1145 WeakPolarHBondContact O-CG 3.45Å; K1141-E1145 PolarHBondContact O-N 2.97Å; V1142-E1145 PolarHBondContact O-N 3.36Å; E1145-N1148 PolarHBondContact O-N 2.79Å; E1145-M1149 WeakPolarHBondContact O-CB 3.05Å; E1145-M1149 PolarHBondContact O-N 3.05Å |
| 1146 | H | 83.1 | Confident | 81.8 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 175.2 | -176.1 | -127.9 | 0 | 0 | 0 | 112.5 | V1142 Q1143 N1148 M1149 L1150 | V1142-H1146 VanDerWaalsContact O-CB 3.25Å; V1142-H1146 WeakPolarHBondContact O-CB 3.18Å; V1142-H1146 PolarHBondContact O-N 3.47Å; Q1143-H1146 PolarHBondContact O-N 3.49Å; H1146-N1148 VanDerWaalsContact C-N 3.35Å; H1146-N1148 PolarHBondContact O-N 2.85Å; H1146-M1149 PolarHBondContact O-N 3.43Å; H1146-M1149 VanDerWaalsContact O-N 3.12Å; H1146-L1150 WeakPolarHBondContact O-CB 3.31Å; H1146-L1150 WeakPolarHBondContact O-CG 3.45Å; H1146-L1150 PolarHBondContact O-N 3.33Å |
| 1147 | A | 79.5 | Confident | 81.9 | Confident | 50 Ų | 50 | 93.5 Ų | 93.5 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1143 L1144 M1149 L1150 E1151 | Q1143-A1147 VanDerWaalsContact O-CB 3.27Å; Q1143-A1147 WeakPolarHBondContact O-CB 3.26Å; Q1143-A1147 PolarHBondContact O-N 2.96Å; L1144-A1147 PolarHBondContact O-N 2.76Å; A1147-M1149 VanDerWaalsContact C-N 3.34Å; A1147-M1149 PolarHBondContact O-N 3.36Å; A1147-L1150 PolarHBondContact O-N 2.9Å; A1147-E1151 WeakPolarHBondContact O-CB 3.27Å; A1147-E1151 PolarHBondContact O-N 2.87Å |
| 1148 | N | 85.3 | Confident | 82 | Confident | 85 Ų | 85 | 93.1 Ų | 93.1 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 172.3 | -74 | -35.9 | 0 | 0 | 0 | 112 | L1144 E1145 H1146 N1152 | L1144-N1148 VanDerWaalsContact O-CB 3.29Å; L1144-N1148 WeakPolarHBondContact O-CB 3.22Å; L1144-N1148 PolarHBondContact O-N 3.37Å; L1144-N1148 PolarHBondContact O-ND2 2.84Å; E1145-N1148 PolarHBondContact O-N 2.79Å; H1146-N1148 VanDerWaalsContact C-N 3.35Å; H1146-N1148 PolarHBondContact O-N 2.85Å; N1148-N1152 VanDerWaalsContact O-CB 3.27Å; N1148-N1152 WeakPolarHBondContact O-CB 3.27Å; N1148-N1152 VanDerWaalsContact O-CG 3.3Å; N1148-N1152 PolarHBondContact O-N 3.12Å; N1148-N1152 PolarHBondContact O-ND2 3.42Å |
| 1149 | M | 84.4 | Confident | 82.2 | Confident | 91 Ų | 91 | 93.7 Ų | 93.7 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 175.6 | -144.2 | -153.4 | -35.8 | 0 | 0 | 111.7 | E1145 H1146 A1147 N1152 Y1153 | E1145-M1149 WeakPolarHBondContact O-CB 3.05Å; E1145-M1149 PolarHBondContact O-N 3.05Å; H1146-M1149 PolarHBondContact O-N 3.43Å; H1146-M1149 VanDerWaalsContact O-N 3.12Å; A1147-M1149 VanDerWaalsContact C-N 3.34Å; A1147-M1149 PolarHBondContact O-N 3.36Å; M1149-N1152 PolarHBondContact O-N 2.71Å; M1149-Y1153 HydrophobicContact CG-CD2 4.33Å; M1149-Y1153 HydrophobicContact CG-CE2 3.91Å; M1149-Y1153 WeakPolarHBondContact O-CD2 3.26Å; M1149-Y1153 PolarHBondContact O-N 3.37Å; M1149-Y1153 HydrophobicContact SD-CD2 4.3Å; M1149-Y1153 HydrophobicContact SD-CE2 3.41Å; M1149-Y1153 WeakPolarHBondContact SD-CE2 3.37Å |
| 1150 | L | 79.8 | Confident | 82.6 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 49% | 0.492 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.3 | -75.2 | 173.5 | 0 | 0 | 0 | 111.6 | H1146 A1147 N1152 Y1153 K1154 | H1146-L1150 WeakPolarHBondContact O-CB 3.31Å; H1146-L1150 WeakPolarHBondContact O-CG 3.45Å; H1146-L1150 PolarHBondContact O-N 3.33Å; A1147-L1150 PolarHBondContact O-N 2.9Å; L1150-N1152 VanDerWaalsContact C-N 3.34Å; L1150-Y1153 PolarHBondContact O-N 2.86Å; L1150-K1154 WeakPolarHBondContact O-CB 3.28Å; L1150-K1154 PolarHBondContact O-N 2.85Å |
| 1151 | E | 80 | Confident | 82.6 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.6 | -32.1 | 177.4 | -164.3 | 59.3 | -145.1 | 0 | 0 | 111.7 | A1147 K1154 T1155 | A1147-E1151 WeakPolarHBondContact O-CB 3.27Å; A1147-E1151 PolarHBondContact O-N 2.87Å; E1151-K1154 IonicContact OE1-NZ 3.89Å; E1151-K1154 PolarHBondContact OE1-NZ 2.97Å; E1151-K1154 IonicContact OE2-NZ 2.56Å; E1151-K1154 PolarHBondContact OE2-NZ 3.32Å; E1151-T1155 VanDerWaalsContact O-CB 3.23Å; E1151-T1155 WeakPolarHBondContact O-CB 3.35Å; E1151-T1155 PolarHBondContact O-N 3.43Å; E1151-T1155 PolarHBondContact O-OG1 3.42Å |
| 1152 | N | 85.1 | Confident | 82.6 | Confident | 111 Ų | 111 | 93.1 Ų | 93.1 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 169.5 | -83.4 | -57.1 | 0 | 0 | 0 | 112.4 | N1148 M1149 L1150 T1155 K1156 | N1148-N1152 VanDerWaalsContact O-CB 3.27Å; N1148-N1152 WeakPolarHBondContact O-CB 3.27Å; N1148-N1152 VanDerWaalsContact O-CG 3.3Å; N1148-N1152 PolarHBondContact O-N 3.12Å; N1148-N1152 PolarHBondContact O-ND2 3.42Å; M1149-N1152 PolarHBondContact O-N 2.71Å; L1150-N1152 VanDerWaalsContact C-N 3.34Å; N1152-T1155 PolarHBondContact O-N 3.38Å; N1152-K1156 WeakPolarHBondContact O-CB 3.45Å; N1152-K1156 PolarHBondContact O-N 2.75Å |
| 1153 | Y | 83.1 | Confident | 82.7 | Confident | 116 Ų | 116 | 93.8 Ų | 93.8 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 175.1 | -75.8 | -45.6 | 0 | 0 | 0 | 112.3 | M1149 L1150 K1156 Y1157 | M1149-Y1153 HydrophobicContact CG-CD2 4.33Å; M1149-Y1153 HydrophobicContact CG-CE2 3.91Å; M1149-Y1153 WeakPolarHBondContact O-CD2 3.26Å; M1149-Y1153 PolarHBondContact O-N 3.37Å; M1149-Y1153 HydrophobicContact SD-CD2 4.3Å; M1149-Y1153 HydrophobicContact SD-CE2 3.41Å; M1149-Y1153 WeakPolarHBondContact SD-CE2 3.37Å; L1150-Y1153 PolarHBondContact O-N 2.86Å; Y1153-K1156 PolarHBondContact O-N 3.42Å; Y1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; Y1153-Y1157 WeakPolarHBondContact O-CD2 3.37Å; Y1153-Y1157 PolarHBondContact O-N 2.94Å |
| 1154 | K | 82.5 | Confident | 82.9 | Confident | 114 Ų | 114 | 93.6 Ų | 93.6 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 171.2 | 173.3 | 163.6 | 160.5 | -98 | 0 | 110.3 | L1150 E1151 K1156 Y1157 T1158 | L1150-K1154 WeakPolarHBondContact O-CB 3.28Å; L1150-K1154 PolarHBondContact O-N 2.85Å; E1151-K1154 IonicContact OE1-NZ 3.89Å; E1151-K1154 PolarHBondContact OE1-NZ 2.97Å; E1151-K1154 IonicContact OE2-NZ 2.56Å; E1151-K1154 PolarHBondContact OE2-NZ 3.32Å; K1154-K1156 PolarHBondContact O-N 3.05Å; K1154-Y1157 PolarHBondContact O-N 3.33Å; K1154-T1158 VanDerWaalsContact O-CB 3.22Å; K1154-T1158 WeakPolarHBondContact O-CB 3.28Å; K1154-T1158 PolarHBondContact O-N 3.2Å; K1154-T1158 PolarHBondContact O-OG1 2.84Å |
| 1155 | T | 83.5 | Confident | 82.8 | Confident | 62 Ų | 62 | 92.4 Ų | 92.4 | 38% | 0.38 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | E1151 N1152 N1159 | E1151-T1155 VanDerWaalsContact O-CB 3.23Å; E1151-T1155 WeakPolarHBondContact O-CB 3.35Å; E1151-T1155 PolarHBondContact O-N 3.43Å; E1151-T1155 PolarHBondContact O-OG1 3.42Å; N1152-T1155 PolarHBondContact O-N 3.38Å; T1155-N1159 WeakPolarHBondContact O-CB 2.79Å; T1155-N1159 PolarHBondContact O-N 3.46Å; T1155-N1159 PolarHBondContact O-ND2 2.94Å |
| 1156 | K | 87.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 93.5 Ų | 93.5 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.8 | -55.1 | 175.5 | -179.9 | -169.1 | 166.9 | -169.3 | 0 | 111 | N1152 Y1153 K1154 T1158 N1159 E1160 | N1152-K1156 WeakPolarHBondContact O-CB 3.45Å; N1152-K1156 PolarHBondContact O-N 2.75Å; Y1153-K1156 PolarHBondContact O-N 3.42Å; K1154-K1156 PolarHBondContact O-N 3.05Å; K1156-T1158 PolarHBondContact O-N 2.88Å; K1156-N1159 PolarHBondContact O-N 2.96Å; K1156-E1160 WeakPolarHBondContact CE-OE1 3.27Å; K1156-E1160 IonicContact NZ-OE1 3.25Å; K1156-E1160 WeakPolarHBondContact O-CG 3.49Å; K1156-E1160 PolarHBondContact O-N 2.79Å |
| 1157 | Y | 78.5 | Confident | 83 | Confident | 132 Ų | 132 | 92.9 Ų | 92.9 | 52% | 0.518 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.6 | -31.4 | -178.1 | -67.3 | -51.6 | 0 | 0 | 0 | 112.7 | Y1153 K1154 E1160 L1161 | Y1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; Y1153-Y1157 WeakPolarHBondContact O-CD2 3.37Å; Y1153-Y1157 PolarHBondContact O-N 2.94Å; K1154-Y1157 PolarHBondContact O-N 3.33Å; Y1157-E1160 WeakPolarHBondContact CD1-OE2 3.4Å; Y1157-L1161 WeakPolarHBondContact O-CB 3.33Å; Y1157-L1161 PolarHBondContact O-N 2.92Å |
| 1158 | T | 82.6 | Confident | 82.9 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 41% | 0.405 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -37 | 170.2 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | K1154 K1156 N1162 | K1154-T1158 VanDerWaalsContact O-CB 3.22Å; K1154-T1158 WeakPolarHBondContact O-CB 3.28Å; K1154-T1158 PolarHBondContact O-N 3.2Å; K1154-T1158 PolarHBondContact O-OG1 2.84Å; K1156-T1158 PolarHBondContact O-N 2.88Å; T1158-N1162 WeakPolarHBondContact O-CB 3.29Å; T1158-N1162 PolarHBondContact O-N 3.27Å; T1158-N1162 PolarHBondContact O-ND2 3.2Å; T1158-N1162 VanDerWaalsContact O-ND2 3.1Å |
| 1159 | N | 84.9 | Confident | 82.5 | Confident | 85 Ų | 85 | 95.7 Ų | 95.7 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70 | -45 | 173.6 | -72.4 | -23.6 | 0 | 0 | 0 | 111.9 | T1155 K1156 L1161 N1162 D1163 | T1155-N1159 WeakPolarHBondContact O-CB 2.79Å; T1155-N1159 PolarHBondContact O-N 3.46Å; T1155-N1159 PolarHBondContact O-ND2 2.94Å; K1156-N1159 PolarHBondContact O-N 2.96Å; N1159-L1161 VanDerWaalsContact C-N 3.33Å; N1159-L1161 PolarHBondContact O-N 3.16Å; N1159-N1162 PolarHBondContact O-N 2.84Å; N1159-D1163 WeakPolarHBondContact O-CB 3.45Å; N1159-D1163 PolarHBondContact O-N 3.2Å |
| 1160 | E | 85.5 | Confident | 82.4 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 174.9 | -71.8 | 173 | 172.8 | 0 | 0 | 111.5 | K1156 Y1157 L1164 | K1156-E1160 WeakPolarHBondContact CE-OE1 3.27Å; K1156-E1160 IonicContact NZ-OE1 3.25Å; K1156-E1160 WeakPolarHBondContact O-CG 3.49Å; K1156-E1160 PolarHBondContact O-N 2.79Å; Y1157-E1160 WeakPolarHBondContact CD1-OE2 3.4Å; E1160-L1164 WeakPolarHBondContact O-CB 3.39Å; E1160-L1164 PolarHBondContact O-N 3.47Å |
| 1161 | L | 80.1 | Confident | 82.4 | Confident | 113 Ų | 113 | 95.5 Ų | 95.5 | 59% | 0.592 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.5 | -41.2 | 172.5 | -173.7 | 72.3 | 0 | 0 | 0 | 111.8 | Y1157 N1159 L1164 N1165 | Y1157-L1161 WeakPolarHBondContact O-CB 3.33Å; Y1157-L1161 PolarHBondContact O-N 2.92Å; N1159-L1161 VanDerWaalsContact C-N 3.33Å; N1159-L1161 PolarHBondContact O-N 3.16Å; L1161-L1164 PolarHBondContact O-N 3.43Å; L1161-N1165 WeakPolarHBondContact O-CB 3.38Å; L1161-N1165 PolarHBondContact O-N 2.78Å |
| 1162 | N | 82.7 | Confident | 82.3 | Confident | 74 Ų | 74 | 94.8 Ų | 94.8 | 40% | 0.396 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.7 | -81.6 | -32.5 | 0 | 0 | 0 | 111.9 | T1158 N1159 N1165 K1166 | T1158-N1162 WeakPolarHBondContact O-CB 3.29Å; T1158-N1162 PolarHBondContact O-N 3.27Å; T1158-N1162 PolarHBondContact O-ND2 3.2Å; T1158-N1162 VanDerWaalsContact O-ND2 3.1Å; N1159-N1162 PolarHBondContact O-N 2.84Å; N1162-N1165 PolarHBondContact O-N 3.37Å; N1162-K1166 WeakPolarHBondContact O-CB 3.41Å; N1162-K1166 VanDerWaalsContact O-CG 3.24Å; N1162-K1166 WeakPolarHBondContact O-CG 3.31Å; N1162-K1166 PolarHBondContact O-N 3.31Å |
| 1163 | D | 84.6 | Confident | 82 | Confident | 92 Ų | 92 | 92.7 Ų | 92.7 | 49% | 0.492 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -75.9 | -34.5 | 177.7 | -73.5 | -15.7 | 0 | 0 | 0 | 112 | N1159 K1166 K1167 | N1159-D1163 WeakPolarHBondContact O-CB 3.45Å; N1159-D1163 PolarHBondContact O-N 3.2Å; D1163-K1166 IonicContact OD1-NZ 3.83Å; D1163-K1166 PolarHBondContact OD1-NZ 3.42Å; D1163-K1167 WeakPolarHBondContact O-CB 3.28Å; D1163-K1167 PolarHBondContact O-N 3.03Å |
| 1164 | L | 82.2 | Confident | 81.9 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 56% | 0.56 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.4 | -37.2 | 169 | -175.5 | 62.4 | 0 | 0 | 0 | 111.9 | E1160 L1161 K1167 Y1168 | E1160-L1164 WeakPolarHBondContact O-CB 3.39Å; E1160-L1164 PolarHBondContact O-N 3.47Å; L1161-L1164 PolarHBondContact O-N 3.43Å; L1164-K1167 WeakPolarHBondContact O-CB 3.46Å; L1164-K1167 PolarHBondContact O-N 3.39Å; L1164-Y1168 WeakPolarHBondContact O-CB 3.05Å; L1164-Y1168 PolarHBondContact O-N 2.66Å |
| 1165 | N | 81.8 | Confident | 81.5 | Confident | 83 Ų | 83 | 89.3 Ų | 89.3 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.4 | -38.6 | 176.2 | -169.6 | 40.2 | 0 | 0 | 0 | 111.6 | L1161 N1162 K1167 Y1168 E1169 | L1161-N1165 WeakPolarHBondContact O-CB 3.38Å; L1161-N1165 PolarHBondContact O-N 2.78Å; N1162-N1165 PolarHBondContact O-N 3.37Å; N1165-K1167 VanDerWaalsContact C-N 3.34Å; N1165-Y1168 PolarHBondContact O-N 2.9Å; N1165-E1169 WeakPolarHBondContact O-CB 3.01Å; N1165-E1169 WeakPolarHBondContact O-CG 3.41Å; N1165-E1169 PolarHBondContact O-N 3.27Å |
| 1166 | K | 84.6 | Confident | 81.2 | Confident | 131 Ų | 131 | 90.8 Ų | 90.8 | 57% | 0.57 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60 | -43.3 | 167.9 | -73.4 | 168.5 | -159.4 | 158.7 | 0 | 111.3 | N1162 D1163 M1170 | N1162-K1166 WeakPolarHBondContact O-CB 3.41Å; N1162-K1166 VanDerWaalsContact O-CG 3.24Å; N1162-K1166 WeakPolarHBondContact O-CG 3.31Å; N1162-K1166 PolarHBondContact O-N 3.31Å; D1163-K1166 IonicContact OD1-NZ 3.83Å; D1163-K1166 PolarHBondContact OD1-NZ 3.42Å; K1166-M1170 WeakPolarHBondContact O-CB 3.45Å; K1166-M1170 PolarHBondContact O-N 2.67Å |
| 1167 | K | 85 | Confident | 80.8 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 40% | 0.4 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 176.1 | -171.8 | -172.2 | 177.3 | -88 | 0 | 110.7 | D1163 L1164 N1165 M1170 E1171 | D1163-K1167 WeakPolarHBondContact O-CB 3.28Å; D1163-K1167 PolarHBondContact O-N 3.03Å; L1164-K1167 WeakPolarHBondContact O-CB 3.46Å; L1164-K1167 PolarHBondContact O-N 3.39Å; N1165-K1167 VanDerWaalsContact C-N 3.34Å; K1167-M1170 PolarHBondContact O-N 3.4Å; K1167-E1171 VanDerWaalsContact CE-OE1 3.25Å; K1167-E1171 WeakPolarHBondContact CE-OE1 3.25Å; K1167-E1171 HydrophobicContact CG-CG 4.43Å; K1167-E1171 IonicContact NZ-OE1 2.67Å; K1167-E1171 PolarHBondContact NZ-OE1 2.82Å; K1167-E1171 IonicContact NZ-OE2 2.65Å; K1167-E1171 PolarHBondContact NZ-OE2 3.29Å; K1167-E1171 WeakPolarHBondContact O-CB 3.38Å; K1167-E1171 WeakPolarHBondContact O-CG 3.5Å; K1167-E1171 PolarHBondContact O-N 3.42Å |
| 1168 | Y | 78.5 | Confident | 80.8 | Confident | 121 Ų | 121 | 92.7 Ų | 92.7 | 48% | 0.475 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 177.6 | 174.4 | -103.4 | 0 | 0 | 0 | 112 | L1164 N1165 M1170 E1171 K1172 | L1164-Y1168 WeakPolarHBondContact O-CB 3.05Å; L1164-Y1168 PolarHBondContact O-N 2.66Å; N1165-Y1168 PolarHBondContact O-N 2.9Å; Y1168-M1170 VanDerWaalsContact C-N 3.3Å; Y1168-M1170 PolarHBondContact O-N 3Å; Y1168-E1171 PolarHBondContact O-N 3.29Å; Y1168-K1172 HydrophobicContact CE1-CD 3.91Å; Y1168-K1172 WeakPolarHBondContact O-CB 2.96Å; Y1168-K1172 PolarHBondContact O-N 3.48Å |
| 1169 | E | 76.5 | Confident | 80.6 | Confident | 72 Ų | 72 | 90.8 Ų | 90.8 | 34% | 0.336 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 176.7 | -72.1 | -63 | 138.4 | 0 | 0 | 112.4 | N1165 K1172 S1173 | N1165-E1169 WeakPolarHBondContact O-CB 3.01Å; N1165-E1169 WeakPolarHBondContact O-CG 3.41Å; N1165-E1169 PolarHBondContact O-N 3.27Å; E1169-K1172 WeakPolarHBondContact OE1-CD 3.36Å; E1169-K1172 IonicContact OE1-NZ 2.82Å; E1169-K1172 PolarHBondContact OE1-NZ 2.76Å; E1169-K1172 IonicContact OE2-NZ 3.45Å; E1169-K1172 PolarHBondContact OE2-NZ 2.87Å; E1169-S1173 VanDerWaalsContact O-CB 3.24Å; E1169-S1173 WeakPolarHBondContact O-CB 3.42Å; E1169-S1173 PolarHBondContact O-N 2.79Å; E1169-S1173 PolarHBondContact O-OG 3.39Å |
| 1170 | M | 81.6 | Confident | 80.5 | Confident | 111 Ų | 111 | 91 Ų | 91 | 55% | 0.547 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.3 | -46 | 172.1 | -179.1 | 173.2 | 61.6 | 0 | 0 | 112.2 | K1166 K1167 Y1168 S1173 Q1174 | K1166-M1170 WeakPolarHBondContact O-CB 3.45Å; K1166-M1170 PolarHBondContact O-N 2.67Å; K1167-M1170 PolarHBondContact O-N 3.4Å; Y1168-M1170 VanDerWaalsContact C-N 3.3Å; Y1168-M1170 PolarHBondContact O-N 3Å; M1170-S1173 WeakPolarHBondContact O-CB 3.34Å; M1170-S1173 PolarHBondContact O-N 3.41Å; M1170-Q1174 WeakPolarHBondContact O-CG 3.42Å; M1170-Q1174 PolarHBondContact O-N 2.9Å |
| 1171 | E | 79.9 | Confident | 80.4 | Confident | 71 Ų | 71 | 90.2 Ų | 90.2 | 33% | 0.332 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 177.4 | -72.2 | 176 | 148.6 | 0 | 0 | 111.5 | K1167 Y1168 Q1174 C1175 | K1167-E1171 VanDerWaalsContact CE-OE1 3.25Å; K1167-E1171 WeakPolarHBondContact CE-OE1 3.25Å; K1167-E1171 HydrophobicContact CG-CG 4.43Å; K1167-E1171 IonicContact NZ-OE1 2.67Å; K1167-E1171 PolarHBondContact NZ-OE1 2.82Å; K1167-E1171 IonicContact NZ-OE2 2.65Å; K1167-E1171 PolarHBondContact NZ-OE2 3.29Å; K1167-E1171 WeakPolarHBondContact O-CB 3.38Å; K1167-E1171 WeakPolarHBondContact O-CG 3.5Å; K1167-E1171 PolarHBondContact O-N 3.42Å; Y1168-E1171 PolarHBondContact O-N 3.29Å; E1171-Q1174 PolarHBondContact O-N 2.96Å; E1171-C1175 WeakPolarHBondContact O-CB 3.12Å; E1171-C1175 PolarHBondContact O-N 2.76Å |
| 1172 | K | 78 | Confident | 80.4 | Confident | 77 Ų | 77 | 87.4 Ų | 87.4 | 34% | 0.335 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 169.7 | 175 | -175.8 | 164.4 | -147.1 | 0 | 111.3 | Y1168 E1169 C1175 I1176 | Y1168-K1172 HydrophobicContact CE1-CD 3.91Å; Y1168-K1172 WeakPolarHBondContact O-CB 2.96Å; Y1168-K1172 PolarHBondContact O-N 3.48Å; E1169-K1172 WeakPolarHBondContact OE1-CD 3.36Å; E1169-K1172 IonicContact OE1-NZ 2.82Å; E1169-K1172 PolarHBondContact OE1-NZ 2.76Å; E1169-K1172 IonicContact OE2-NZ 3.45Å; E1169-K1172 PolarHBondContact OE2-NZ 2.87Å; K1172-C1175 PolarHBondContact O-N 3.01Å; K1172-I1176 HydrophobicContact CG-CD1 3.97Å; K1172-I1176 WeakPolarHBondContact O-CB 3.44Å; K1172-I1176 WeakPolarHBondContact O-CD1 3.46Å; K1172-I1176 WeakPolarHBondContact O-CG1 3.28Å; K1172-I1176 PolarHBondContact O-N 2.88Å |
| 1173 | S | 78.6 | Confident | 80.3 | Confident | 66 Ų | 66 | 88.3 Ų | 88.3 | 46% | 0.462 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 174.5 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | E1169 M1170 C1175 I1176 E1177 | E1169-S1173 VanDerWaalsContact O-CB 3.24Å; E1169-S1173 WeakPolarHBondContact O-CB 3.42Å; E1169-S1173 PolarHBondContact O-N 2.79Å; E1169-S1173 PolarHBondContact O-OG 3.39Å; M1170-S1173 WeakPolarHBondContact O-CB 3.34Å; M1170-S1173 PolarHBondContact O-N 3.41Å; S1173-C1175 PolarHBondContact O-N 3.06Å; S1173-I1176 PolarHBondContact O-N 3.48Å; S1173-E1177 WeakPolarHBondContact O-CB 3.39Å; S1173-E1177 PolarHBondContact O-N 2.93Å |
| 1174 | Q | 81.1 | Confident | 80.2 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 173.7 | -75 | -176.2 | -28.6 | 0 | 0 | 112.3 | M1170 E1171 E1177 Q1178 | M1170-Q1174 WeakPolarHBondContact O-CG 3.42Å; M1170-Q1174 PolarHBondContact O-N 2.9Å; E1171-Q1174 PolarHBondContact O-N 2.96Å; Q1174-E1177 PolarHBondContact O-N 3.2Å; Q1174-Q1178 VanDerWaalsContact O-CB 3.23Å; Q1174-Q1178 WeakPolarHBondContact O-CB 3.3Å; Q1174-Q1178 PolarHBondContact O-N 3.44Å |
| 1175 | C | 73.9 | Confident | 80.3 | Confident | 43 Ų | 43 | 88.9 Ų | 88.9 | 29% | 0.291 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.6 | -171 | 0 | 0 | 0 | 0 | 111.5 | E1171 K1172 S1173 L1179 | E1171-C1175 WeakPolarHBondContact O-CB 3.12Å; E1171-C1175 PolarHBondContact O-N 2.76Å; K1172-C1175 PolarHBondContact O-N 3.01Å; S1173-C1175 PolarHBondContact O-N 3.06Å; C1175-L1179 WeakPolarHBondContact O-CB 3.44Å; C1175-L1179 PolarHBondContact O-N 2.96Å |
| 1176 | I | 77.2 | Confident | 80.3 | Confident | 93 Ų | 93 | 86.6 Ų | 86.6 | 48% | 0.477 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 173.5 | -71.3 | 164 | 0 | 0 | 0 | 111 | K1172 S1173 N1180 | K1172-I1176 HydrophobicContact CG-CD1 3.97Å; K1172-I1176 WeakPolarHBondContact O-CB 3.44Å; K1172-I1176 WeakPolarHBondContact O-CD1 3.46Å; K1172-I1176 WeakPolarHBondContact O-CG1 3.28Å; K1172-I1176 PolarHBondContact O-N 2.88Å; S1173-I1176 PolarHBondContact O-N 3.48Å; I1176-N1180 VanDerWaalsContact O-CB 3.28Å; I1176-N1180 WeakPolarHBondContact O-CB 3.48Å; I1176-N1180 VanDerWaalsContact O-CG 3.28Å; I1176-N1180 PolarHBondContact O-N 2.89Å; I1176-N1180 PolarHBondContact O-ND2 3.01Å; I1176-N1180 VanDerWaalsContact O-ND2 3.15Å |
| 1177 | E | 80 | Confident | 80.2 | Confident | 136 Ų | 136 | 85.9 Ų | 85.9 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | 177.6 | -172.4 | 170.7 | -151.2 | 0 | 0 | 111.7 | S1173 Q1174 L1179 N1180 V1181 | S1173-E1177 WeakPolarHBondContact O-CB 3.39Å; S1173-E1177 PolarHBondContact O-N 2.93Å; Q1174-E1177 PolarHBondContact O-N 3.2Å; E1177-L1179 PolarHBondContact O-N 3.4Å; E1177-N1180 WeakPolarHBondContact O-CB 3.31Å; E1177-N1180 PolarHBondContact O-N 3.35Å; E1177-V1181 WeakPolarHBondContact O-CG2 3.41Å; E1177-V1181 PolarHBondContact O-N 2.88Å |
| 1178 | Q | 78.8 | Confident | 80.3 | Confident | 100 Ų | 100 | 87.9 Ų | 87.9 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.5 | -175.1 | 171.4 | -10.2 | 0 | 0 | 111.8 | Q1174 V1181 E1182 | Q1174-Q1178 VanDerWaalsContact O-CB 3.23Å; Q1174-Q1178 WeakPolarHBondContact O-CB 3.3Å; Q1174-Q1178 PolarHBondContact O-N 3.44Å; Q1178-V1181 WeakPolarHBondContact O-CB 3.32Å; Q1178-V1181 PolarHBondContact O-N 2.86Å; Q1178-E1182 PolarHBondContact O-N 2.98Å |
| 1179 | L | 78.5 | Confident | 80.5 | Confident | 27 Ų | 27 | 86.4 Ų | 86.4 | 14% | 0.141 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.1 | -31.2 | 177.6 | -163.1 | 143.3 | 0 | 0 | 0 | 111.8 | C1175 E1177 E1182 H1183 S1554 A1555 | C1175-L1179 WeakPolarHBondContact O-CB 3.44Å; C1175-L1179 PolarHBondContact O-N 2.96Å; E1177-L1179 PolarHBondContact O-N 3.4Å; L1179-E1182 PolarHBondContact O-N 3.48Å; L1179-H1183 WeakPolarHBondContact O-CB 3.48Å; L1179-H1183 PolarHBondContact O-N 3.39Å; L1179-S1554 WeakPolarHBondContact CD2-O 3.46Å; L1179-A1555 HydrophobicContact CD1-CB 3.64Å |
| 1180 | N | 81 | Confident | 80.8 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 167.7 | -83.9 | -36.3 | 0 | 0 | 0 | 111.8 | I1176 E1177 H1183 Q1184 | I1176-N1180 VanDerWaalsContact O-CB 3.28Å; I1176-N1180 WeakPolarHBondContact O-CB 3.48Å; I1176-N1180 VanDerWaalsContact O-CG 3.28Å; I1176-N1180 PolarHBondContact O-N 2.89Å; I1176-N1180 PolarHBondContact O-ND2 3.01Å; I1176-N1180 VanDerWaalsContact O-ND2 3.15Å; E1177-N1180 WeakPolarHBondContact O-CB 3.31Å; E1177-N1180 PolarHBondContact O-N 3.35Å; N1180-H1183 PolarHBondContact O-N 3.26Å; N1180-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1180-Q1184 WeakPolarHBondContact O-CG 3.42Å; N1180-Q1184 PolarHBondContact O-N 2.88Å |
| 1181 | V | 85.2 | Confident | 80.9 | Confident | 81 Ų | 81 | 84.1 Ų | 84.1 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | E1177 Q1178 T1185 | E1177-V1181 WeakPolarHBondContact O-CG2 3.41Å; E1177-V1181 PolarHBondContact O-N 2.88Å; Q1178-V1181 WeakPolarHBondContact O-CB 3.32Å; Q1178-V1181 PolarHBondContact O-N 2.86Å; V1181-T1185 VanDerWaalsContact O-CB 3.3Å; V1181-T1185 WeakPolarHBondContact O-CB 3.43Å; V1181-T1185 PolarHBondContact O-N 3.42Å; V1181-T1185 PolarHBondContact O-OG1 2.87Å |
| 1182 | E | 78.6 | Confident | 81.1 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 25% | 0.252 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 173 | -73.5 | -167.8 | 135.2 | 0 | 0 | 111.9 | Q1178 L1179 T1185 A1186 | Q1178-E1182 PolarHBondContact O-N 2.98Å; L1179-E1182 PolarHBondContact O-N 3.48Å; E1182-T1185 PolarHBondContact O-N 3.49Å; E1182-A1186 WeakPolarHBondContact O-CB 3.27Å; E1182-A1186 PolarHBondContact O-N 3.23Å |
| 1183 | H | 80.6 | Confident | 81.4 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 43% | 0.426 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.7 | -121.1 | 131.1 | 0 | 0 | 0 | 111.4 | L1179 N1180 T1185 A1186 L1187 | L1179-H1183 WeakPolarHBondContact O-CB 3.48Å; L1179-H1183 PolarHBondContact O-N 3.39Å; N1180-H1183 PolarHBondContact O-N 3.26Å; H1183-T1185 VanDerWaalsContact C-N 3.31Å; H1183-T1185 PolarHBondContact O-N 3.45Å; H1183-A1186 PolarHBondContact O-N 2.87Å; H1183-L1187 WeakPolarHBondContact O-CB 3.21Å; H1183-L1187 PolarHBondContact O-N 2.91Å |
| 1184 | Q | 82.6 | Confident | 81.5 | Confident | 142 Ų | 142 | 84.8 Ų | 84.8 | 66% | 0.664 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 174.8 | -74.7 | -175.5 | 14.9 | 0 | 0 | 111.7 | N1180 K1188 | N1180-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1180-Q1184 WeakPolarHBondContact O-CG 3.42Å; N1180-Q1184 PolarHBondContact O-N 2.88Å; Q1184-K1188 WeakPolarHBondContact O-CB 3.43Å; Q1184-K1188 PolarHBondContact O-N 3.45Å |
| 1185 | T | 84.7 | Confident | 81.7 | Confident | 70 Ų | 70 | 83.5 Ų | 83.5 | 43% | 0.429 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | V1181 E1182 H1183 K1188 N1189 | V1181-T1185 VanDerWaalsContact O-CB 3.3Å; V1181-T1185 WeakPolarHBondContact O-CB 3.43Å; V1181-T1185 PolarHBondContact O-N 3.42Å; V1181-T1185 PolarHBondContact O-OG1 2.87Å; E1182-T1185 PolarHBondContact O-N 3.49Å; H1183-T1185 VanDerWaalsContact C-N 3.31Å; H1183-T1185 PolarHBondContact O-N 3.45Å; T1185-K1188 PolarHBondContact O-N 3.08Å; T1185-N1189 WeakPolarHBondContact O-CB 3.44Å; T1185-N1189 PolarHBondContact O-N 3.13Å; T1185-N1189 PolarHBondContact O-ND2 3.22Å |
| 1186 | A | 82.5 | Confident | 82.1 | Confident | 34 Ų | 34 | 87.9 Ų | 87.9 | 28% | 0.281 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1182 H1183 N1189 A1190 | E1182-A1186 WeakPolarHBondContact O-CB 3.27Å; E1182-A1186 PolarHBondContact O-N 3.23Å; H1183-A1186 PolarHBondContact O-N 2.87Å; A1186-N1189 PolarHBondContact O-N 3.16Å; A1186-A1190 VanDerWaalsContact O-CB 3.23Å; A1186-A1190 WeakPolarHBondContact O-CB 3.22Å; A1186-A1190 PolarHBondContact O-N 3.2Å |
| 1187 | L | 82 | Confident | 82.4 | Confident | 116 Ų | 116 | 86.7 Ų | 86.7 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 176.3 | -162.2 | 104.3 | 0 | 0 | 0 | 110.8 | H1183 A1190 V1191 | H1183-L1187 WeakPolarHBondContact O-CB 3.21Å; H1183-L1187 PolarHBondContact O-N 2.91Å; L1187-A1190 PolarHBondContact O-N 3.36Å; L1187-V1191 WeakPolarHBondContact O-CB 3.38Å; L1187-V1191 VanDerWaalsContact O-CG2 3.28Å; L1187-V1191 WeakPolarHBondContact O-CG2 3.39Å; L1187-V1191 PolarHBondContact O-N 2.86Å |
| 1188 | K | 86 | Confident | 82.5 | Confident | 134 Ų | 134 | 86.3 Ų | 86.3 | 58% | 0.583 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.3 | -50.8 | 173.4 | -178.6 | 179 | 177.8 | -177.5 | 0 | 111.7 | Q1184 T1185 A1190 V1191 D1192 | Q1184-K1188 WeakPolarHBondContact O-CB 3.43Å; Q1184-K1188 PolarHBondContact O-N 3.45Å; T1185-K1188 PolarHBondContact O-N 3.08Å; K1188-A1190 VanDerWaalsContact C-N 3.29Å; K1188-A1190 PolarHBondContact O-N 2.99Å; K1188-V1191 PolarHBondContact O-N 2.74Å; K1188-D1192 WeakPolarHBondContact O-CB 3.38Å; K1188-D1192 PolarHBondContact O-N 2.86Å |
| 1189 | N | 84.4 | Confident | 82.7 | Confident | 90 Ų | 90 | 85.2 Ų | 85.2 | 48% | 0.481 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 178 | -71.9 | -21.4 | 0 | 0 | 0 | 112.2 | T1185 A1186 T1193 | T1185-N1189 WeakPolarHBondContact O-CB 3.44Å; T1185-N1189 PolarHBondContact O-N 3.13Å; T1185-N1189 PolarHBondContact O-ND2 3.22Å; A1186-N1189 PolarHBondContact O-N 3.16Å; N1189-T1193 VanDerWaalsContact O-CB 3.22Å; N1189-T1193 WeakPolarHBondContact O-CB 3.4Å; N1189-T1193 PolarHBondContact O-N 3.31Å; N1189-T1193 PolarHBondContact O-OG1 3.12Å |
| 1190 | A | 82.7 | Confident | 83 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1186 L1187 K1188 T1193 A1194 | A1186-A1190 VanDerWaalsContact O-CB 3.23Å; A1186-A1190 WeakPolarHBondContact O-CB 3.22Å; A1186-A1190 PolarHBondContact O-N 3.2Å; L1187-A1190 PolarHBondContact O-N 3.36Å; K1188-A1190 VanDerWaalsContact C-N 3.29Å; K1188-A1190 PolarHBondContact O-N 2.99Å; A1190-T1193 PolarHBondContact O-N 3.36Å; A1190-A1194 WeakPolarHBondContact O-CB 3.41Å; A1190-A1194 PolarHBondContact O-N 2.93Å |
| 1191 | V | 83 | Confident | 82.9 | Confident | 76 Ų | 76 | 90.9 Ų | 90.9 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 173.3 | 167 | 0 | 0 | 0 | 0 | 110.7 | L1187 K1188 T1193 A1194 V1195 | L1187-V1191 WeakPolarHBondContact O-CB 3.38Å; L1187-V1191 VanDerWaalsContact O-CG2 3.28Å; L1187-V1191 WeakPolarHBondContact O-CG2 3.39Å; L1187-V1191 PolarHBondContact O-N 2.86Å; K1188-V1191 PolarHBondContact O-N 2.74Å; V1191-T1193 VanDerWaalsContact C-N 3.3Å; V1191-T1193 PolarHBondContact O-N 2.94Å; V1191-A1194 PolarHBondContact O-N 3.36Å; V1191-V1195 HydrophobicContact CG1-CG2 4.26Å; V1191-V1195 WeakPolarHBondContact O-CB 3.48Å; V1191-V1195 VanDerWaalsContact O-CG2 3.26Å; V1191-V1195 WeakPolarHBondContact O-CG2 3.38Å; V1191-V1195 PolarHBondContact O-N 3.47Å |
| 1192 | D | 83.9 | Confident | 82.7 | Confident | 87 Ų | 87 | 91.8 Ų | 91.8 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 178.5 | -73.5 | -26 | 0 | 0 | 0 | 111.3 | K1188 F1196 | K1188-D1192 WeakPolarHBondContact O-CB 3.38Å; K1188-D1192 PolarHBondContact O-N 2.86Å; D1192-F1196 WeakPolarHBondContact O-CB 3.36Å; D1192-F1196 PolarHBondContact O-N 3.45Å |
| 1193 | T | 84.1 | Confident | 82.9 | Confident | 87 Ų | 87 | 94.8 Ų | 94.8 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | N1189 A1190 V1191 F1196 T1197 | N1189-T1193 VanDerWaalsContact O-CB 3.22Å; N1189-T1193 WeakPolarHBondContact O-CB 3.4Å; N1189-T1193 PolarHBondContact O-N 3.31Å; N1189-T1193 PolarHBondContact O-OG1 3.12Å; A1190-T1193 PolarHBondContact O-N 3.36Å; V1191-T1193 VanDerWaalsContact C-N 3.3Å; V1191-T1193 PolarHBondContact O-N 2.94Å; T1193-F1196 PolarHBondContact O-N 2.98Å; T1193-T1197 WeakPolarHBondContact O-CB 3.47Å; T1193-T1197 PolarHBondContact O-N 3.49Å; T1193-T1197 PolarHBondContact O-OG1 3.32Å |
| 1194 | A | 81 | Confident | 83 | Confident | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1190 V1191 T1197 K1198 | A1190-A1194 WeakPolarHBondContact O-CB 3.41Å; A1190-A1194 PolarHBondContact O-N 2.93Å; V1191-A1194 PolarHBondContact O-N 3.36Å; A1194-T1197 PolarHBondContact O-N 3.18Å; A1194-K1198 WeakPolarHBondContact O-CB 3.14Å; A1194-K1198 PolarHBondContact O-N 3.5Å |
| 1195 | V | 84.3 | Confident | 83 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 172.9 | 168.2 | 0 | 0 | 0 | 0 | 110.3 | V1191 T1197 K1198 E1199 | V1191-V1195 HydrophobicContact CG1-CG2 4.26Å; V1191-V1195 WeakPolarHBondContact O-CB 3.48Å; V1191-V1195 VanDerWaalsContact O-CG2 3.26Å; V1191-V1195 WeakPolarHBondContact O-CG2 3.38Å; V1191-V1195 PolarHBondContact O-N 3.47Å; V1195-T1197 VanDerWaalsContact C-N 3.33Å; V1195-T1197 PolarHBondContact O-N 3.19Å; V1195-K1198 PolarHBondContact O-N 3.21Å; V1195-E1199 WeakPolarHBondContact O-CB 3.37Å; V1195-E1199 PolarHBondContact O-N 3.45Å |
| 1196 | F | 84.3 | Confident | 83 | Confident | 135 Ų | 135 | 94.6 Ų | 94.6 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -41.2 | 176.7 | -178.2 | -102.7 | 0 | 0 | 0 | 112.4 | D1192 T1193 E1199 K1200 | D1192-F1196 WeakPolarHBondContact O-CB 3.36Å; D1192-F1196 PolarHBondContact O-N 3.45Å; T1193-F1196 PolarHBondContact O-N 2.98Å; F1196-E1199 PolarHBondContact O-N 3.3Å; F1196-K1200 WeakPolarHBondContact O-CB 3.44Å; F1196-K1200 PolarHBondContact O-N 2.95Å |
| 1197 | T | 82 | Confident | 83 | Confident | 68 Ų | 68 | 95.3 Ų | 95.3 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 178.6 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | T1193 A1194 V1195 K1200 Q1201 | T1193-T1197 WeakPolarHBondContact O-CB 3.47Å; T1193-T1197 PolarHBondContact O-N 3.49Å; T1193-T1197 PolarHBondContact O-OG1 3.32Å; A1194-T1197 PolarHBondContact O-N 3.18Å; V1195-T1197 VanDerWaalsContact C-N 3.33Å; V1195-T1197 PolarHBondContact O-N 3.19Å; T1197-K1200 PolarHBondContact O-N 3.36Å; T1197-Q1201 WeakPolarHBondContact O-CG 3.4Å; T1197-Q1201 PolarHBondContact O-N 3.49Å |
| 1198 | K | 83.1 | Confident | 83 | Confident | 128 Ų | 128 | 94.5 Ų | 94.5 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 172.1 | -85.5 | -70.3 | -175 | -173.4 | 0 | 112.3 | A1194 V1195 Q1201 M1202 | A1194-K1198 WeakPolarHBondContact O-CB 3.14Å; A1194-K1198 PolarHBondContact O-N 3.5Å; V1195-K1198 PolarHBondContact O-N 3.21Å; K1198-Q1201 PolarHBondContact O-N 2.9Å; K1198-M1202 WeakPolarHBondContact O-CB 3.18Å; K1198-M1202 WeakPolarHBondContact O-CG 3.38Å; K1198-M1202 PolarHBondContact O-N 3.33Å |
| 1199 | E | 82.6 | Confident | 82.9 | Confident | 78 Ų | 78 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 177 | -157.7 | -145 | -171.5 | 0 | 0 | 111 | V1195 F1196 M1202 K1203 | V1195-E1199 WeakPolarHBondContact O-CB 3.37Å; V1195-E1199 PolarHBondContact O-N 3.45Å; F1196-E1199 PolarHBondContact O-N 3.3Å; E1199-M1202 PolarHBondContact O-N 3.47Å; E1199-K1203 HydrophobicContact CG-CD 4.43Å; E1199-K1203 WeakPolarHBondContact O-CB 3.3Å; E1199-K1203 VanDerWaalsContact O-CG 3.27Å; E1199-K1203 WeakPolarHBondContact O-CG 3.29Å; E1199-K1203 PolarHBondContact O-N 3.22Å; E1199-K1203 WeakPolarHBondContact OE1-CE 3.43Å; E1199-K1203 IonicContact OE1-NZ 3.92Å; E1199-K1203 PolarHBondContact OE1-NZ 3.5Å; E1199-K1203 WeakPolarHBondContact OE2-CE 3.31Å; E1199-K1203 IonicContact OE2-NZ 3.15Å; E1199-K1203 PolarHBondContact OE2-NZ 3.22Å |
| 1200 | K | 84.4 | Confident | 82.8 | Confident | 135 Ų | 135 | 96.4 Ų | 96.4 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 172 | -171.3 | 179 | 179.4 | -176.7 | 0 | 111.9 | F1196 T1197 K1203 Q1204 | F1196-K1200 WeakPolarHBondContact O-CB 3.44Å; F1196-K1200 PolarHBondContact O-N 2.95Å; T1197-K1200 PolarHBondContact O-N 3.36Å; K1200-K1203 PolarHBondContact O-N 3.35Å; K1200-Q1204 PolarHBondContact O-N 3.02Å |
| 1201 | Q | 78.4 | Confident | 82.7 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 173.1 | -78.1 | -175.7 | -12.9 | 0 | 0 | 111.7 | T1197 K1198 K1203 Q1204 Q1205 | T1197-Q1201 WeakPolarHBondContact O-CG 3.4Å; T1197-Q1201 PolarHBondContact O-N 3.49Å; K1198-Q1201 PolarHBondContact O-N 2.9Å; Q1201-K1203 VanDerWaalsContact C-N 3.34Å; Q1201-K1203 PolarHBondContact O-N 2.71Å; Q1201-Q1204 PolarHBondContact O-N 3.31Å; Q1201-Q1205 WeakPolarHBondContact O-CB 3.49Å; Q1201-Q1205 WeakPolarHBondContact O-CG 3.33Å; Q1201-Q1205 PolarHBondContact O-N 2.87Å |
| 1202 | M | 82.1 | Confident | 82.8 | Confident | 99 Ų | 99 | 103 Ų | 103 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.4 | -77.4 | -166.2 | -64.6 | 0 | 0 | 112.2 | K1198 E1199 N1206 | K1198-M1202 WeakPolarHBondContact O-CB 3.18Å; K1198-M1202 WeakPolarHBondContact O-CG 3.38Å; K1198-M1202 PolarHBondContact O-N 3.33Å; E1199-M1202 PolarHBondContact O-N 3.47Å; M1202-N1206 WeakPolarHBondContact O-CB 3.38Å; M1202-N1206 PolarHBondContact O-N 2.77Å; M1202-N1206 PolarHBondContact O-ND2 2.98Å |
| 1203 | K | 82.9 | Confident | 82.6 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.4 | -77.5 | 167.7 | 178.2 | 169.8 | 0 | 111.4 | E1199 K1200 Q1201 S1207 | E1199-K1203 HydrophobicContact CG-CD 4.43Å; E1199-K1203 WeakPolarHBondContact O-CB 3.3Å; E1199-K1203 VanDerWaalsContact O-CG 3.27Å; E1199-K1203 WeakPolarHBondContact O-CG 3.29Å; E1199-K1203 PolarHBondContact O-N 3.22Å; E1199-K1203 WeakPolarHBondContact OE1-CE 3.43Å; E1199-K1203 IonicContact OE1-NZ 3.92Å; E1199-K1203 PolarHBondContact OE1-NZ 3.5Å; E1199-K1203 WeakPolarHBondContact OE2-CE 3.31Å; E1199-K1203 IonicContact OE2-NZ 3.15Å; E1199-K1203 PolarHBondContact OE2-NZ 3.22Å; K1200-K1203 PolarHBondContact O-N 3.35Å; Q1201-K1203 VanDerWaalsContact C-N 3.34Å; Q1201-K1203 PolarHBondContact O-N 2.71Å; K1203-S1207 PolarHBondContact O-N 3.21Å; K1203-S1207 VanDerWaalsContact O-N 3.13Å |
| 1204 | Q | 81.6 | Confident | 82.4 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -48 | 175.3 | -175.8 | 166 | -18.3 | 0 | 0 | 112.3 | K1200 Q1201 N1206 S1207 E1208 | K1200-Q1204 PolarHBondContact O-N 3.02Å; Q1201-Q1204 PolarHBondContact O-N 3.31Å; Q1204-N1206 VanDerWaalsContact C-N 3.29Å; Q1204-N1206 PolarHBondContact O-N 3.1Å; Q1204-S1207 WeakPolarHBondContact O-CA 3.21Å; Q1204-S1207 WeakPolarHBondContact O-CB 3.24Å; Q1204-S1207 PolarHBondContact O-N 3.28Å; Q1204-S1207 PolarHBondContact O-OG 3.21Å; Q1204-E1208 PolarHBondContact O-N 3.34Å |
| 1205 | Q | 82.8 | Confident | 82.3 | Confident | 109 Ų | 109 | 109.1 Ų | 109.1 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -39 | 173.7 | -74.9 | -177.5 | -29.2 | 0 | 0 | 111.7 | Q1201 S1207 E1208 L1209 | Q1201-Q1205 WeakPolarHBondContact O-CB 3.49Å; Q1201-Q1205 WeakPolarHBondContact O-CG 3.33Å; Q1201-Q1205 PolarHBondContact O-N 2.87Å; Q1205-S1207 PolarHBondContact O-N 2.82Å; Q1205-E1208 PolarHBondContact O-N 2.81Å; Q1205-L1209 WeakPolarHBondContact O-CB 3.16Å; Q1205-L1209 VanDerWaalsContact O-CG 3.22Å; Q1205-L1209 WeakPolarHBondContact O-CG 3.23Å; Q1205-L1209 PolarHBondContact O-N 3.49Å |
| 1206 | N | 83.9 | Confident | 82 | Confident | 77 Ų | 77 | 108 Ų | 108 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -14.1 | 172.8 | -82.8 | -67.8 | 0 | 0 | 0 | 113.8 | M1202 Q1204 R1210 | M1202-N1206 WeakPolarHBondContact O-CB 3.38Å; M1202-N1206 PolarHBondContact O-N 2.77Å; M1202-N1206 PolarHBondContact O-ND2 2.98Å; Q1204-N1206 VanDerWaalsContact C-N 3.29Å; Q1204-N1206 PolarHBondContact O-N 3.1Å; N1206-R1210 WeakPolarHBondContact O-CB 3.36Å; N1206-R1210 WeakPolarHBondContact O-CG 3.35Å; N1206-R1210 PolarHBondContact O-N 2.83Å; N1206-R1210 PolarHBondContact O-NE 2.88Å; N1206-R1210 PolarHBondContact O-NH2 2.8Å |
| 1207 | S | 82.6 | Confident | 81.7 | Confident | 50 Ų | 50 | 106.1 Ų | 106.1 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -84.5 | -44.8 | 169 | 82.3 | 0 | 0 | 0 | 0 | 110.9 | K1203 Q1204 Q1205 R1210 N1211 | K1203-S1207 PolarHBondContact O-N 3.21Å; K1203-S1207 VanDerWaalsContact O-N 3.13Å; Q1204-S1207 WeakPolarHBondContact O-CA 3.21Å; Q1204-S1207 WeakPolarHBondContact O-CB 3.24Å; Q1204-S1207 PolarHBondContact O-N 3.28Å; Q1204-S1207 PolarHBondContact O-OG 3.21Å; Q1205-S1207 PolarHBondContact O-N 2.82Å; S1207-R1210 PolarHBondContact O-N 3.49Å; S1207-N1211 VanDerWaalsContact O-CG 3.32Å; S1207-N1211 PolarHBondContact O-N 3.2Å; S1207-N1211 PolarHBondContact O-ND2 2.81Å |
| 1208 | E | 82.5 | Confident | 81.3 | Confident | 99 Ų | 99 | 109.8 Ų | 109.8 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 175.4 | -70.5 | 178.5 | 173 | 0 | 0 | 111.9 | Q1204 Q1205 R1210 N1211 R1212 | Q1204-E1208 PolarHBondContact O-N 3.34Å; Q1205-E1208 PolarHBondContact O-N 2.81Å; E1208-R1210 VanDerWaalsContact C-N 3.33Å; E1208-R1210 PolarHBondContact O-N 2.79Å; E1208-N1211 PolarHBondContact O-N 3.23Å; E1208-R1212 WeakPolarHBondContact O-CB 3.32Å; E1208-R1212 WeakPolarHBondContact O-CG 3.4Å; E1208-R1212 PolarHBondContact O-N 3.45Å |
| 1209 | L | 83.9 | Confident | 81 | Confident | 103 Ų | 103 | 107.9 Ų | 107.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 174.1 | -73.2 | 170.6 | 0 | 0 | 0 | 111.9 | Q1205 L1213 | Q1205-L1209 WeakPolarHBondContact O-CB 3.16Å; Q1205-L1209 VanDerWaalsContact O-CG 3.22Å; Q1205-L1209 WeakPolarHBondContact O-CG 3.23Å; Q1205-L1209 PolarHBondContact O-N 3.49Å; L1209-L1213 WeakPolarHBondContact O-CB 3.48Å; L1209-L1213 PolarHBondContact O-N 3.32Å |
| 1210 | R | 82.2 | Confident | 80.3 | Confident | 161 Ų | 161 | 107.5 Ų | 107.5 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.5 | -34.5 | 173.6 | -85.4 | -178.8 | -77.6 | -154.5 | -3.4 | 112.6 | N1206 S1207 E1208 K1214 | N1206-R1210 WeakPolarHBondContact O-CB 3.36Å; N1206-R1210 WeakPolarHBondContact O-CG 3.35Å; N1206-R1210 PolarHBondContact O-N 2.83Å; N1206-R1210 PolarHBondContact O-NE 2.88Å; N1206-R1210 PolarHBondContact O-NH2 2.8Å; S1207-R1210 PolarHBondContact O-N 3.49Å; E1208-R1210 VanDerWaalsContact C-N 3.33Å; E1208-R1210 PolarHBondContact O-N 2.79Å; R1210-K1214 PolarHBondContact O-N 3.13Å |
| 1211 | N | 81.5 | Confident | 79.4 | Confident | 105 Ų | 105 | 108 Ų | 108 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.4 | -45.5 | 174.4 | -69.9 | -18.4 | 0 | 0 | 0 | 111.5 | S1207 E1208 L1213 K1214 Q1215 | S1207-N1211 VanDerWaalsContact O-CG 3.32Å; S1207-N1211 PolarHBondContact O-N 3.2Å; S1207-N1211 PolarHBondContact O-ND2 2.81Å; E1208-N1211 PolarHBondContact O-N 3.23Å; N1211-L1213 VanDerWaalsContact C-N 3.34Å; N1211-L1213 PolarHBondContact O-N 3.43Å; N1211-K1214 WeakPolarHBondContact O-CB 3.22Å; N1211-K1214 PolarHBondContact O-N 2.98Å; N1211-Q1215 PolarHBondContact O-N 3.33Å |
| 1212 | R | 84.6 | Confident | 78.7 | Confident | 167 Ų | 167 | 107.4 Ų | 107.4 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -35.6 | 172.4 | -72.3 | -179 | 70 | -179.1 | 1.6 | 112 | E1208 Q1215 V1216 | E1208-R1212 WeakPolarHBondContact O-CB 3.32Å; E1208-R1212 WeakPolarHBondContact O-CG 3.4Å; E1208-R1212 PolarHBondContact O-N 3.45Å; R1212-Q1215 PolarHBondContact O-N 3.45Å; R1212-V1216 VanDerWaalsContact O-CB 3.29Å; R1212-V1216 WeakPolarHBondContact O-CB 3.36Å; R1212-V1216 VanDerWaalsContact O-CG2 3.26Å; R1212-V1216 WeakPolarHBondContact O-CG2 3.4Å; R1212-V1216 PolarHBondContact O-N 3.49Å |
| 1213 | L | 79.4 | Confident | 77.7 | Confident | 100 Ų | 100 | 105.4 Ų | 105.4 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 174.4 | -174.5 | 65.8 | 0 | 0 | 0 | 111.4 | L1209 N1211 L1217 | L1209-L1213 WeakPolarHBondContact O-CB 3.48Å; L1209-L1213 PolarHBondContact O-N 3.32Å; N1211-L1213 VanDerWaalsContact C-N 3.34Å; N1211-L1213 PolarHBondContact O-N 3.43Å; L1213-L1217 HydrophobicContact CD1-CD1 4.41Å; L1213-L1217 HydrophobicContact CD1-CG 4.31Å; L1213-L1217 HydrophobicContact CG-CD1 4.04Å; L1213-L1217 HydrophobicContact CG-CG 4.38Å; L1213-L1217 VanDerWaalsContact O-CB 3.22Å; L1213-L1217 WeakPolarHBondContact O-CB 3.15Å; L1213-L1217 WeakPolarHBondContact O-CG 3.34Å; L1213-L1217 PolarHBondContact O-N 3.24Å |
| 1214 | K | 80.4 | Confident | 76.4 | Confident | 153 Ų | 153 | 108.2 Ų | 108.2 | 67% | 0.665 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -48.4 | 169.2 | -86.4 | -175.7 | 171.8 | -176.9 | 0 | 111.7 | R1210 N1211 L1217 Q1218 | R1210-K1214 PolarHBondContact O-N 3.13Å; N1211-K1214 WeakPolarHBondContact O-CB 3.22Å; N1211-K1214 PolarHBondContact O-N 2.98Å; K1214-L1217 PolarHBondContact O-N 3.41Å; K1214-Q1218 WeakPolarHBondContact O-CB 3.47Å; K1214-Q1218 PolarHBondContact O-N 3.44Å |
| 1215 | Q | 78 | Confident | 75.1 | Confident | 105 Ų | 105 | 110.8 Ų | 110.8 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | 178.4 | 179 | 178.5 | -9.1 | 0 | 0 | 111.5 | N1211 R1212 L1217 Q1218 E1219 | N1211-Q1215 PolarHBondContact O-N 3.33Å; R1212-Q1215 PolarHBondContact O-N 3.45Å; Q1215-L1217 VanDerWaalsContact C-N 3.35Å; Q1215-L1217 PolarHBondContact O-N 2.85Å; Q1215-Q1218 CarbonylContact O-C 3.5Å; Q1215-Q1218 WeakPolarHBondContact O-CA 3.48Å; Q1215-Q1218 WeakPolarHBondContact O-CB 3.18Å; Q1215-Q1218 PolarHBondContact O-N 3.14Å; Q1215-Q1218 VanDerWaalsContact O-N 3.1Å; Q1215-E1219 HydrophobicContact CG-CG 4.31Å; Q1215-E1219 VanDerWaalsContact CG-OE1 3.27Å; Q1215-E1219 WeakPolarHBondContact CG-OE1 3.49Å; Q1215-E1219 PolarHBondContact NE2-OE1 2.87Å; Q1215-E1219 WeakPolarHBondContact O-CB 3.46Å; Q1215-E1219 WeakPolarHBondContact O-CG 3.13Å; Q1215-E1219 PolarHBondContact O-N 2.91Å |
| 1216 | V | 78.9 | Confident | 73.7 | Confident | 66 Ų | 66 | 112.4 Ų | 112.4 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 179.2 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | R1212 Q1218 E1219 L1220 | R1212-V1216 VanDerWaalsContact O-CB 3.29Å; R1212-V1216 WeakPolarHBondContact O-CB 3.36Å; R1212-V1216 VanDerWaalsContact O-CG2 3.26Å; R1212-V1216 WeakPolarHBondContact O-CG2 3.4Å; R1212-V1216 PolarHBondContact O-N 3.49Å; V1216-Q1218 VanDerWaalsContact C-N 3.34Å; V1216-Q1218 PolarHBondContact O-N 2.95Å; V1216-E1219 PolarHBondContact O-N 3.48Å; V1216-L1220 WeakPolarHBondContact O-CA 3.22Å; V1216-L1220 WeakPolarHBondContact O-CB 3.41Å; V1216-L1220 PolarHBondContact O-N 3.47Å |
| 1217 | L | 78.2 | Confident | 72 | Confident | 95 Ų | 95 | 114.4 Ų | 114.4 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.2 | -44.2 | 172 | -76.5 | 169.3 | 0 | 0 | 0 | 110.9 | L1213 K1214 Q1215 L1220 E1221 | L1213-L1217 HydrophobicContact CD1-CD1 4.41Å; L1213-L1217 HydrophobicContact CD1-CG 4.31Å; L1213-L1217 HydrophobicContact CG-CD1 4.04Å; L1213-L1217 HydrophobicContact CG-CG 4.38Å; L1213-L1217 VanDerWaalsContact O-CB 3.22Å; L1213-L1217 WeakPolarHBondContact O-CB 3.15Å; L1213-L1217 WeakPolarHBondContact O-CG 3.34Å; L1213-L1217 PolarHBondContact O-N 3.24Å; K1214-L1217 PolarHBondContact O-N 3.41Å; Q1215-L1217 VanDerWaalsContact C-N 3.35Å; Q1215-L1217 PolarHBondContact O-N 2.85Å; L1217-L1220 PolarHBondContact O-N 3.24Å; L1217-E1221 WeakPolarHBondContact O-CB 3.44Å; L1217-E1221 PolarHBondContact O-N 3.11Å |
| 1218 | Q | 74.1 | Confident | 70.3 | Confident | 145 Ų | 145 | 116.4 Ų | 116.4 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.5 | -41.9 | 177.5 | -168.9 | 170.3 | -1.6 | 0 | 0 | 112.6 | K1214 Q1215 V1216 E1221 T1222 | K1214-Q1218 WeakPolarHBondContact O-CB 3.47Å; K1214-Q1218 PolarHBondContact O-N 3.44Å; Q1215-Q1218 CarbonylContact O-C 3.5Å; Q1215-Q1218 WeakPolarHBondContact O-CA 3.48Å; Q1215-Q1218 WeakPolarHBondContact O-CB 3.18Å; Q1215-Q1218 PolarHBondContact O-N 3.14Å; Q1215-Q1218 VanDerWaalsContact O-N 3.1Å; V1216-Q1218 VanDerWaalsContact C-N 3.34Å; V1216-Q1218 PolarHBondContact O-N 2.95Å; Q1218-E1221 WeakPolarHBondContact O-CB 3.08Å; Q1218-T1222 PolarHBondContact O-N 2.78Å |
| 1219 | E | 74.9 | Confident | 68.8 | Low | 88 Ų | 88 | 118.6 Ų | 118.6 | 41% | 0.411 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -36.7 | 173.9 | -73.6 | 171.5 | -178.7 | 0 | 0 | 111.9 | Q1215 V1216 T1222 S1223 | Q1215-E1219 HydrophobicContact CG-CG 4.31Å; Q1215-E1219 VanDerWaalsContact CG-OE1 3.27Å; Q1215-E1219 WeakPolarHBondContact CG-OE1 3.49Å; Q1215-E1219 PolarHBondContact NE2-OE1 2.87Å; Q1215-E1219 WeakPolarHBondContact O-CB 3.46Å; Q1215-E1219 WeakPolarHBondContact O-CG 3.13Å; Q1215-E1219 PolarHBondContact O-N 2.91Å; V1216-E1219 PolarHBondContact O-N 3.48Å; E1219-T1222 WeakPolarHBondContact CA-OG1 3.34Å; E1219-T1222 CarbonylContact O-C 3.54Å; E1219-T1222 PolarHBondContact O-N 3.32Å; E1219-T1222 PolarHBondContact O-OG1 2.78Å; E1219-S1223 WeakPolarHBondContact O-CB 3.37Å; E1219-S1223 PolarHBondContact O-N 3.2Å; E1219-S1223 PolarHBondContact O-OG 2.71Å |
| 1220 | L | 68.1 | Low | 67.5 | Low | 71 Ų | 71 | 119 Ų | 119 | 37% | 0.372 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79.4 | -29.2 | -179.4 | -164.2 | 154.3 | 0 | 0 | 0 | 111.4 | V1216 L1217 T1222 S1223 K1224 | V1216-L1220 WeakPolarHBondContact O-CA 3.22Å; V1216-L1220 WeakPolarHBondContact O-CB 3.41Å; V1216-L1220 PolarHBondContact O-N 3.47Å; L1217-L1220 PolarHBondContact O-N 3.24Å; L1220-T1222 PolarHBondContact O-N 3.41Å; L1220-S1223 PolarHBondContact O-N 3Å; L1220-K1224 HydrophobicContact CD2-CB 4.49Å; L1220-K1224 HydrophobicContact CD2-CD 3.56Å; L1220-K1224 HydrophobicContact CD2-CG 3.72Å; L1220-K1224 HydrophobicContact CG-CG 4.47Å; L1220-K1224 WeakPolarHBondContact O-CB 3.41Å; L1220-K1224 PolarHBondContact O-N 3Å |
| 1221 | E | 66.3 | Low | 66.4 | Low | 144 Ų | 144 | 115.7 Ų | 115.7 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61 | -31.4 | 164.2 | -151 | 79.6 | -108.9 | 0 | 0 | 111.5 | L1217 Q1218 K1225 | L1217-E1221 WeakPolarHBondContact O-CB 3.44Å; L1217-E1221 PolarHBondContact O-N 3.11Å; Q1218-E1221 WeakPolarHBondContact O-CB 3.08Å; E1221-K1225 VanDerWaalsContact O-CE 3.32Å; E1221-K1225 WeakPolarHBondContact O-CE 3.23Å; E1221-K1225 PolarHBondContact O-NZ 3.32Å |
| 1222 | T | 63.9 | Low | 65.8 | Low | 87 Ų | 87 | 119.7 Ų | 119.7 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -83.1 | -34.6 | 170.7 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | Q1218 E1219 L1220 | Q1218-T1222 PolarHBondContact O-N 2.78Å; E1219-T1222 WeakPolarHBondContact CA-OG1 3.34Å; E1219-T1222 CarbonylContact O-C 3.54Å; E1219-T1222 PolarHBondContact O-N 3.32Å; E1219-T1222 PolarHBondContact O-OG1 2.78Å; L1220-T1222 PolarHBondContact O-N 3.41Å |
| 1223 | S | 60.9 | Low | 65.4 | Low | 58 Ų | 58 | 121 Ų | 121 | 41% | 0.406 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -98 | -17.6 | -168.1 | -56.6 | 0 | 0 | 0 | 0 | 115.3 | E1219 L1220 K1225 L1226 | E1219-S1223 WeakPolarHBondContact O-CB 3.37Å; E1219-S1223 PolarHBondContact O-N 3.2Å; E1219-S1223 PolarHBondContact O-OG 2.71Å; L1220-S1223 PolarHBondContact O-N 3Å; S1223-K1225 PolarHBondContact O-N 2.66Å; S1223-L1226 WeakPolarHBondContact O-CB 3.48Å; S1223-L1226 PolarHBondContact O-N 2.79Å |
| 1224 | K | 56.2 | Low | 65.1 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -5.9 | 167.4 | -102 | -177.8 | 176.6 | 163.9 | 0 | 113.5 | L1220 L1226 | L1220-K1224 HydrophobicContact CD2-CB 4.49Å; L1220-K1224 HydrophobicContact CD2-CD 3.56Å; L1220-K1224 HydrophobicContact CD2-CG 3.72Å; L1220-K1224 HydrophobicContact CG-CG 4.47Å; L1220-K1224 WeakPolarHBondContact O-CB 3.41Å; L1220-K1224 PolarHBondContact O-N 3Å; K1224-L1226 PolarHBondContact O-N 2.92Å |
| 1225 | K | 53.6 | Low | 64.9 | Low | 166 Ų | 166 | 119.2 Ų | 119.2 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 10.4 | 170.4 | -58.5 | 171.2 | -175.3 | 165.3 | 0 | 112.6 | E1221 S1223 | E1221-K1225 VanDerWaalsContact O-CE 3.32Å; E1221-K1225 WeakPolarHBondContact O-CE 3.23Å; E1221-K1225 PolarHBondContact O-NZ 3.32Å; S1223-K1225 PolarHBondContact O-N 2.66Å |
| 1226 | L | 54 | Low | 64.8 | Low | 144 Ų | 144 | 118.6 Ų | 118.6 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -124.4 | -98.4 | -176.3 | -58.7 | 174 | 0 | 0 | 0 | 114.2 | S1223 K1224 | S1223-L1226 WeakPolarHBondContact O-CB 3.48Å; S1223-L1226 PolarHBondContact O-N 2.79Å; K1224-L1226 PolarHBondContact O-N 2.92Å |
| 1227 | S | 46.9 | Very low | 64.8 | Low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 63% | 0.628 | S | S | * | * | trans | -153.9 | 171.4 | -164.6 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1228 | A | 47.9 | Very low | 64.8 | Low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 63% | 0.633 | S | S | * | * | trans | -158.2 | 122.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1229 | T | 50.9 | Low | 65.1 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 89% | 0.89 | 63% | 0.631 | S | S | * | * | trans | -165.7 | 148.2 | 155 | 12.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1230 | P | 57.4 | Low | 65.4 | Low | 110 Ų | 110 | 122.6 Ų | 122.6 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | trans | -87.6 | -174.7 | -179.1 | -8.1 | 28.3 | 0 | 0 | 0 | 115.6 | E1234 | P1230-E1234 WeakPolarHBondContact CB-OE2 3.45Š| ||
| 1231 | S | 59.2 | Low | 66 | Low | 93 Ų | 93 | 124.3 Ų | 124.3 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | -143.9 | 154.3 | -166.1 | -176.5 | 0 | 0 | 0 | 0 | 115.8 | R1233 E1234 | S1231-R1233 PolarHBondContact O-N 2.71Å; S1231-E1234 WeakPolarHBondContact O-CB 3.25Å; S1231-E1234 PolarHBondContact O-N 3.4Å; S1231-E1234 VanDerWaalsContact O-N 3.08Å | ||
| 1232 | R | 68 | Low | 66.8 | Low | 188 Ų | 188 | 122.9 Ų | 122.9 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.6 | -36.5 | -173.5 | 175.3 | 177.6 | 167.7 | 165.3 | 0.8 | 116.5 | E1234 I1235 E1236 | R1232-E1234 PolarHBondContact O-N 3Å; R1232-E1234 VanDerWaalsContact O-N 3.15Å; R1232-I1235 PolarHBondContact O-N 3.38Å; R1232-I1235 VanDerWaalsContact O-N 3.12Å; R1232-E1236 IonicContact CZ-OE1 2.67Å; R1232-E1236 IonicContact NE-OE1 2.84Å; R1232-E1236 PolarHBondContact NE-OE1 3.21Å; R1232-E1236 IonicContact NH2-OE1 3.85Å |
| 1233 | R | 75.3 | Confident | 67.5 | Low | 196 Ų | 196 | 120.7 Ų | 120.7 | 74% | 0.74 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.9 | -20.3 | -176.5 | -164.8 | 173.7 | -176.2 | 117.3 | 0.5 | 113.4 | S1231 | S1231-R1233 PolarHBondContact O-N 2.71Å |
| 1234 | E | 73 | Confident | 68.4 | Low | 112 Ų | 112 | 122 Ų | 122 | 52% | 0.523 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.1 | -33.4 | 176.4 | -163.6 | 163.4 | -162.9 | 0 | 0 | 112.2 | P1230 S1231 R1232 | P1230-E1234 WeakPolarHBondContact CB-OE2 3.45Å; S1231-E1234 WeakPolarHBondContact O-CB 3.25Å; S1231-E1234 PolarHBondContact O-N 3.4Å; S1231-E1234 VanDerWaalsContact O-N 3.08Å; R1232-E1234 PolarHBondContact O-N 3Å; R1232-E1234 VanDerWaalsContact O-N 3.15Å |
| 1235 | I | 78.1 | Confident | 69.8 | Low | 102 Ų | 102 | 118.4 Ų | 118.4 | 52% | 0.523 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.5 | -40.3 | -179.5 | -58.5 | 173.2 | 0 | 0 | 0 | 111.2 | R1232 L1237 Q1238 N1239 | R1232-I1235 PolarHBondContact O-N 3.38Å; R1232-I1235 VanDerWaalsContact O-N 3.12Å; I1235-L1237 PolarHBondContact O-N 3.25Å; I1235-Q1238 PolarHBondContact O-N 2.95Å; I1235-Q1238 VanDerWaalsContact O-N 3.16Å; I1235-N1239 PolarHBondContact O-N 3.42Å |
| 1236 | E | 75.6 | Confident | 71 | Confident | 92 Ų | 92 | 116.9 Ų | 116.9 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.1 | -33.8 | 179 | -73.4 | 165.1 | -176.8 | 0 | 0 | 111.6 | R1232 I1240 | R1232-E1236 IonicContact CZ-OE1 2.67Å; R1232-E1236 IonicContact NE-OE1 2.84Å; R1232-E1236 PolarHBondContact NE-OE1 3.21Å; R1232-E1236 IonicContact NH2-OE1 3.85Å; E1236-I1240 WeakPolarHBondContact O-CG1 3.46Å; E1236-I1240 PolarHBondContact O-N 3.32Å |
| 1237 | L | 78.3 | Confident | 72.4 | Confident | 115 Ų | 115 | 117.4 Ų | 117.4 | 60% | 0.602 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.6 | -34.5 | 175.5 | -69.4 | 170 | 0 | 0 | 0 | 113.2 | I1235 L1241 | I1235-L1237 PolarHBondContact O-N 3.25Å; L1237-L1241 PolarHBondContact O-N 3.4Å |
| 1238 | Q | 79.3 | Confident | 74 | Confident | 129 Ų | 129 | 117.4 Ų | 117.4 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.5 | -39.3 | 178.2 | -71.1 | -179.3 | -48.3 | 0 | 0 | 112.2 | I1235 I1240 L1241 H1242 | I1235-Q1238 PolarHBondContact O-N 2.95Å; I1235-Q1238 VanDerWaalsContact O-N 3.16Å; Q1238-I1240 PolarHBondContact O-N 3.19Å; Q1238-L1241 WeakPolarHBondContact O-CB 3.4Å; Q1238-L1241 PolarHBondContact O-N 2.71Å; Q1238-H1242 PolarHBondContact O-N 3.38Å |
| 1239 | N | 79.2 | Confident | 75.8 | Confident | 117 Ų | 117 | 120.1 Ų | 120.1 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.7 | -38 | 177.4 | -71.8 | -9.1 | 0 | 0 | 0 | 112.4 | I1235 H1242 G1243 | I1235-N1239 PolarHBondContact O-N 3.42Å; N1239-H1242 PolarHBondContact O-N 2.7Å; N1239-G1243 PolarHBondContact O-N 2.71Å |
| 1240 | I | 82.2 | Confident | 77.2 | Confident | 118 Ų | 118 | 120.1 Ų | 120.1 | 61% | 0.605 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.8 | -39.9 | 176.4 | -67.2 | 168.6 | 0 | 0 | 0 | 110.9 | E1236 Q1238 G1243 T1244 | E1236-I1240 WeakPolarHBondContact O-CG1 3.46Å; E1236-I1240 PolarHBondContact O-N 3.32Å; Q1238-I1240 PolarHBondContact O-N 3.19Å; I1240-G1243 PolarHBondContact O-N 2.86Å; I1240-T1244 PolarHBondContact O-N 3.28Å |
| 1241 | L | 79.4 | Confident | 78.2 | Confident | 107 Ų | 107 | 120.5 Ų | 120.5 | 56% | 0.56 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.2 | -47.8 | 177.3 | -167.9 | 74.2 | 0 | 0 | 0 | 111.3 | L1237 Q1238 G1243 T1244 E1245 | L1237-L1241 PolarHBondContact O-N 3.4Å; Q1238-L1241 WeakPolarHBondContact O-CB 3.4Å; Q1238-L1241 PolarHBondContact O-N 2.71Å; L1241-G1243 VanDerWaalsContact C-N 3.32Å; L1241-G1243 PolarHBondContact O-N 2.84Å; L1241-T1244 PolarHBondContact O-N 3.3Å; L1241-T1244 VanDerWaalsContact O-N 3.12Å; L1241-T1244 PolarHBondContact O-OG1 2.89Å; L1241-E1245 PolarHBondContact O-N 2.84Å |
| 1242 | H | 83.1 | Confident | 79.3 | Confident | 114 Ų | 114 | 122.4 Ų | 122.4 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.1 | -37.5 | -177.5 | -163.4 | 44.9 | 0 | 0 | 0 | 112.8 | Q1238 N1239 T1244 E1245 E1246 | Q1238-H1242 PolarHBondContact O-N 3.38Å; N1239-H1242 PolarHBondContact O-N 2.7Å; H1242-T1244 PolarHBondContact O-N 3.16Å; H1242-E1245 IonicContact ND1-OE2 2.76Å; H1242-E1245 PolarHBondContact ND1-OE2 2.99Å; H1242-E1245 PolarHBondContact O-N 3.39Å; H1242-E1245 VanDerWaalsContact O-N 3.14Å; H1242-E1246 PolarHBondContact O-N 3.48Å |
| 1243 | G | 79.2 | Confident | 80 | Confident | 40 Ų | 40 | 119.5 Ų | 119.5 | 41% | 0.412 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.6 | -15.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1239 I1240 L1241 | N1239-G1243 PolarHBondContact O-N 2.71Å; I1240-G1243 PolarHBondContact O-N 2.86Å; L1241-G1243 VanDerWaalsContact C-N 3.32Å; L1241-G1243 PolarHBondContact O-N 2.84Å |
| 1244 | T | 80 | Confident | 80.1 | Confident | 86 Ų | 86 | 116 Ų | 116 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -91 | -24.6 | 170.9 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | I1240 L1241 H1242 L1248 | I1240-T1244 PolarHBondContact O-N 3.28Å; L1241-T1244 PolarHBondContact O-N 3.3Å; L1241-T1244 VanDerWaalsContact O-N 3.12Å; L1241-T1244 PolarHBondContact O-OG1 2.89Å; H1242-T1244 PolarHBondContact O-N 3.16Å; T1244-L1248 PolarHBondContact O-N 3.33Å |
| 1245 | E | 85.3 | Confident | 80.2 | Confident | 101 Ų | 101 | 118.5 Ų | 118.5 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.5 | -39.1 | 177.9 | -66.7 | 177.8 | 142.2 | 0 | 0 | 113.2 | L1241 H1242 L1248 K1249 | L1241-E1245 PolarHBondContact O-N 2.84Å; H1242-E1245 IonicContact ND1-OE2 2.76Å; H1242-E1245 PolarHBondContact ND1-OE2 2.99Å; H1242-E1245 PolarHBondContact O-N 3.39Å; H1242-E1245 VanDerWaalsContact O-N 3.14Å; E1245-L1248 PolarHBondContact O-N 3.26Å; E1245-K1249 PolarHBondContact O-N 2.75Å |
| 1246 | E | 79.8 | Confident | 80.5 | Confident | 134 Ų | 134 | 116.2 Ų | 116.2 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -43.8 | 177.1 | -73.4 | -156.6 | 125.1 | 0 | 0 | 112.3 | H1242 L1248 K1249 Q1250 | H1242-E1246 PolarHBondContact O-N 3.48Å; E1246-L1248 PolarHBondContact O-N 2.78Å; E1246-K1249 PolarHBondContact O-N 2.91Å; E1246-K1249 VanDerWaalsContact O-N 3.08Å; E1246-Q1250 PolarHBondContact O-N 3.08Å |
| 1247 | K | 81.4 | Confident | 80.7 | Confident | 156 Ų | 156 | 116.7 Ų | 116.7 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60 | -33.5 | 178.4 | -71.1 | -171.3 | 174.5 | -172.2 | 0 | 112.7 | ||
| 1248 | L | 80.9 | Confident | 80.6 | Confident | 118 Ų | 118 | 117.6 Ų | 117.6 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.4 | -39.5 | 176.4 | -165.6 | 75.9 | 0 | 0 | 0 | 112 | T1244 E1245 E1246 Q1252 | T1244-L1248 PolarHBondContact O-N 3.33Å; E1245-L1248 PolarHBondContact O-N 3.26Å; E1246-L1248 PolarHBondContact O-N 2.78Å; L1248-Q1252 WeakPolarHBondContact O-CG 3.3Å; L1248-Q1252 PolarHBondContact O-N 3.02Å |
| 1249 | K | 86.6 | Confident | 80.5 | Confident | 149 Ų | 149 | 114.5 Ų | 114.5 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.7 | -36.2 | 179.4 | -73.5 | 178.3 | 177.5 | 171.8 | 0 | 113 | E1245 E1246 Q1252 L1253 | E1245-K1249 PolarHBondContact O-N 2.75Å; E1246-K1249 PolarHBondContact O-N 2.91Å; E1246-K1249 VanDerWaalsContact O-N 3.08Å; K1249-Q1252 PolarHBondContact O-N 3.25Å; K1249-L1253 PolarHBondContact O-N 3.47Å |
| 1250 | Q | 79.2 | Confident | 80.6 | Confident | 146 Ų | 146 | 115.1 Ų | 115.1 | 68% | 0.682 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.3 | -43.5 | -175.5 | -162.7 | 140.4 | 13.8 | 0 | 0 | 111.7 | E1246 Q1252 L1253 | E1246-Q1250 PolarHBondContact O-N 3.08Å; Q1250-Q1252 VanDerWaalsContact C-N 3.26Å; Q1250-Q1252 PolarHBondContact O-N 2.72Å; Q1250-L1253 PolarHBondContact O-N 2.94Å; Q1250-L1253 VanDerWaalsContact O-N 3.09Å |
| 1251 | L | 79.3 | Confident | 80.4 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.1 | -29.9 | 173 | -85.5 | 160.7 | 0 | 0 | 0 | 113.7 | L1253 | L1251-L1253 VanDerWaalsContact C-N 3.28Å; L1251-L1253 PolarHBondContact O-N 3.42Å |
| 1252 | Q | 82.7 | Confident | 80.2 | Confident | 133 Ų | 133 | 114 Ų | 114 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.9 | -20.5 | 176.2 | -74.6 | -176.6 | -38.2 | 0 | 0 | 113.4 | L1248 K1249 Q1250 | L1248-Q1252 WeakPolarHBondContact O-CG 3.3Å; L1248-Q1252 PolarHBondContact O-N 3.02Å; K1249-Q1252 PolarHBondContact O-N 3.25Å; Q1250-Q1252 VanDerWaalsContact C-N 3.26Å; Q1250-Q1252 PolarHBondContact O-N 2.72Å |
| 1253 | L | 82.1 | Confident | 80.1 | Confident | 126 Ų | 126 | 115.2 Ų | 115.2 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -81.9 | -47.1 | 179.3 | -152.6 | 79.1 | 0 | 0 | 0 | 111.4 | K1249 Q1250 L1251 Y1255 A1256 | K1249-L1253 PolarHBondContact O-N 3.47Å; Q1250-L1253 PolarHBondContact O-N 2.94Å; Q1250-L1253 VanDerWaalsContact O-N 3.09Å; L1251-L1253 VanDerWaalsContact C-N 3.28Å; L1251-L1253 PolarHBondContact O-N 3.42Å; L1253-Y1255 VanDerWaalsContact C-N 3.26Å; L1253-Y1255 PolarHBondContact O-N 2.77Å; L1253-A1256 WeakPolarHBondContact O-CB 3.46Å; L1253-A1256 PolarHBondContact O-N 2.89Å |
| 1254 | E | 77.3 | Confident | 80.2 | Confident | 123 Ų | 123 | 120.5 Ų | 120.5 | 58% | 0.575 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59 | -37.3 | -180 | -65.6 | 179.2 | 131.7 | 0 | 0 | 112.5 | A1256 Q1258 | E1254-A1256 VanDerWaalsContact C-N 3.27Å; E1254-A1256 PolarHBondContact O-N 3.21Å; E1254-Q1258 PolarHBondContact O-N 2.84Å |
| 1255 | Y | 76.1 | Confident | 80.1 | Confident | 164 Ų | 164 | 121.6 Ų | 121.6 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.9 | -29 | 177.7 | -161.4 | -96.1 | 0 | 0 | 0 | 113 | L1253 C1259 | L1253-Y1255 VanDerWaalsContact C-N 3.26Å; L1253-Y1255 PolarHBondContact O-N 2.77Å; Y1255-C1259 PolarHBondContact O-SG 3.5Å; Y1255-C1259 VanDerWaalsContact O-SG 3.36Å |
| 1256 | A | 84.4 | Confident | 79.9 | Confident | 54 Ų | 54 | 122.2 Ų | 122.2 | 45% | 0.446 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.9 | -36.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1253 E1254 | L1253-A1256 WeakPolarHBondContact O-CB 3.46Å; L1253-A1256 PolarHBondContact O-N 2.89Å; E1254-A1256 VanDerWaalsContact C-N 3.27Å; E1254-A1256 PolarHBondContact O-N 3.21Å |
| 1257 | D | 79.1 | Confident | 80.2 | Confident | 103 Ų | 103 | 120.6 Ų | 120.6 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75.7 | -30.9 | 178.9 | -74.5 | -32.7 | 0 | 0 | 0 | 112.2 | C1259 K1260 | D1257-C1259 VanDerWaalsContact C-N 3.32Å; D1257-C1259 PolarHBondContact O-N 2.81Å; D1257-K1260 PolarHBondContact O-N 3.18Å |
| 1258 | Q | 75.6 | Confident | 80.3 | Confident | 133 Ų | 133 | 119.7 Ų | 119.7 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.6 | -38.2 | 173 | -73.4 | -175.7 | -4.2 | 0 | 0 | 112.8 | E1254 K1260 S1261 | E1254-Q1258 PolarHBondContact O-N 2.84Å; Q1258-K1260 PolarHBondContact O-N 3.48Å; Q1258-S1261 PolarHBondContact O-N 3.42Å |
| 1259 | C | 78.5 | Confident | 80.1 | Confident | 65 Ų | 65 | 118.5 Ų | 118.5 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.5 | -38.6 | -179.2 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | Y1255 D1257 L1262 | Y1255-C1259 PolarHBondContact O-SG 3.5Å; Y1255-C1259 VanDerWaalsContact O-SG 3.36Å; D1257-C1259 VanDerWaalsContact C-N 3.32Å; D1257-C1259 PolarHBondContact O-N 2.81Å; C1259-L1262 PolarHBondContact O-N 2.81Å |
| 1260 | K | 81.5 | Confident | 79.9 | Confident | 130 Ų | 130 | 117 Ų | 117 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.8 | -37.8 | -178.5 | -73.5 | 178.1 | 179.1 | 165.6 | 0 | 113.4 | D1257 Q1258 L1262 E1263 E1264 | D1257-K1260 PolarHBondContact O-N 3.18Å; Q1258-K1260 PolarHBondContact O-N 3.48Å; K1260-L1262 PolarHBondContact O-N 2.77Å; K1260-E1263 PolarHBondContact O-N 2.84Å; K1260-E1264 PolarHBondContact O-N 2.84Å |
| 1261 | S | 76.6 | Confident | 80.1 | Confident | 76 Ų | 76 | 116.2 Ų | 116.2 | 53% | 0.531 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.6 | -30.9 | -178.4 | -167.2 | 0 | 0 | 0 | 0 | 112.3 | Q1258 | Q1258-S1261 PolarHBondContact O-N 3.42Å |
| 1262 | L | 75.7 | Confident | 79.8 | Confident | 125 Ų | 125 | 116.8 Ų | 116.8 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75 | -35.9 | 177.8 | -69.8 | 167.2 | 0 | 0 | 0 | 112.9 | C1259 K1260 L1265 Q1266 | C1259-L1262 PolarHBondContact O-N 2.81Å; K1260-L1262 PolarHBondContact O-N 2.77Å; L1262-L1265 PolarHBondContact O-N 3.46Å; L1262-Q1266 PolarHBondContact O-N 2.8Å |
| 1263 | E | 81.4 | Confident | 79.4 | Confident | 140 Ų | 140 | 116.8 Ų | 116.8 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.5 | -38.7 | 178.3 | -69.6 | -175.4 | 128.4 | 0 | 0 | 112.1 | K1260 L1265 Q1266 | K1260-E1263 PolarHBondContact O-N 2.84Å; E1263-L1265 VanDerWaalsContact C-N 3.31Å; E1263-L1265 PolarHBondContact O-N 3.38Å; E1263-Q1266 PolarHBondContact O-N 3.06Å |
| 1264 | E | 80.9 | Confident | 79.2 | Confident | 150 Ų | 150 | 114.8 Ų | 114.8 | 70% | 0.701 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.9 | -25.5 | 179.1 | -68.5 | -169.9 | -179.9 | 0 | 0 | 113.8 | K1260 | K1260-E1264 PolarHBondContact O-N 2.84Å |
| 1265 | L | 77.9 | Confident | 79.1 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -79.8 | -36.6 | 177.1 | -73.9 | 171.6 | 0 | 0 | 0 | 112.5 | L1262 E1263 I1267 K1268 | L1262-L1265 PolarHBondContact O-N 3.46Å; E1263-L1265 VanDerWaalsContact C-N 3.31Å; E1263-L1265 PolarHBondContact O-N 3.38Å; L1265-I1267 PolarHBondContact O-N 2.74Å; L1265-K1268 PolarHBondContact O-N 3Å |
| 1266 | Q | 80.4 | Confident | 78.7 | Confident | 113 Ų | 113 | 113.5 Ų | 113.5 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.4 | -47 | -179.7 | -172.9 | 68.6 | 36.2 | 0 | 0 | 111.7 | L1262 E1263 K1268 I1269 | L1262-Q1266 PolarHBondContact O-N 2.8Å; E1263-Q1266 PolarHBondContact O-N 3.06Å; Q1266-K1268 VanDerWaalsContact C-N 3.31Å; Q1266-K1268 PolarHBondContact O-N 2.89Å; Q1266-I1269 PolarHBondContact O-N 3.12Å |
| 1267 | I | 85.7 | Confident | 78 | Confident | 101 Ų | 101 | 117.9 Ų | 117.9 | 52% | 0.518 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.7 | -37.5 | -175.5 | -63.4 | 169 | 0 | 0 | 0 | 112.1 | L1265 I1269 E1270 E1271 | L1265-I1267 PolarHBondContact O-N 2.74Å; I1267-I1269 VanDerWaalsContact C-N 3.28Å; I1267-I1269 PolarHBondContact O-N 3.45Å; I1267-E1270 PolarHBondContact O-N 3.09Å; I1267-E1271 PolarHBondContact O-N 3.23Å |
| 1268 | K | 83.9 | Confident | 77.6 | Confident | 137 Ų | 137 | 120.3 Ų | 120.3 | 60% | 0.596 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.7 | -18.3 | -178.3 | -89.8 | 172.5 | 177.4 | 160.3 | 0 | 114.6 | L1265 Q1266 | L1265-K1268 PolarHBondContact O-N 3Å; Q1266-K1268 VanDerWaalsContact C-N 3.31Å; Q1266-K1268 PolarHBondContact O-N 2.89Å |
| 1269 | I | 77.6 | Confident | 77 | Confident | 93 Ų | 93 | 120 Ų | 120 | 48% | 0.477 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.4 | -45.7 | 175.2 | -62.3 | 173.2 | 0 | 0 | 0 | 109 | Q1266 I1267 E1271 L1272 E1273 | Q1266-I1269 PolarHBondContact O-N 3.12Å; I1267-I1269 VanDerWaalsContact C-N 3.28Å; I1267-I1269 PolarHBondContact O-N 3.45Å; I1269-E1271 VanDerWaalsContact C-N 3.32Å; I1269-E1271 PolarHBondContact O-N 2.87Å; I1269-L1272 PolarHBondContact O-N 3.4Å; I1269-L1272 VanDerWaalsContact O-N 3.14Å; I1269-E1273 PolarHBondContact O-N 3.24Å |
| 1270 | E | 82.7 | Confident | 76.1 | Confident | 116 Ų | 116 | 121.8 Ų | 121.8 | 54% | 0.542 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.6 | -36 | -178.9 | -62.2 | 177.1 | -172.9 | 0 | 0 | 112.6 | I1267 S1274 | I1267-E1270 PolarHBondContact O-N 3.09Å; E1270-S1274 PolarHBondContact O-N 3.42Å |
| 1271 | E | 83.4 | Confident | 74.9 | Confident | 130 Ų | 130 | 122.5 Ų | 122.5 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.1 | -38.1 | 175.1 | -69.7 | -174.2 | 145.6 | 0 | 0 | 113.2 | I1267 I1269 | I1267-E1271 PolarHBondContact O-N 3.23Å; I1269-E1271 VanDerWaalsContact C-N 3.32Å; I1269-E1271 PolarHBondContact O-N 2.87Å |
| 1272 | L | 73.2 | Confident | 74 | Confident | 131 Ų | 131 | 125.7 Ų | 125.7 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.5 | -37.2 | -177.9 | -71.3 | 172 | 0 | 0 | 0 | 112.5 | I1269 S1274 M1275 | I1269-L1272 PolarHBondContact O-N 3.4Å; I1269-L1272 VanDerWaalsContact O-N 3.14Å; L1272-S1274 VanDerWaalsContact C-N 3.33Å; L1272-S1274 PolarHBondContact O-N 3.29Å; L1272-M1275 PolarHBondContact O-N 3.08Å |
| 1273 | E | 72.7 | Confident | 72.9 | Confident | 133 Ų | 133 | 124 Ų | 124 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.1 | -39.3 | 177.3 | -68.8 | -172.1 | 157.8 | 0 | 0 | 111.8 | I1269 M1275 N1276 | I1269-E1273 PolarHBondContact O-N 3.24Å; E1273-M1275 PolarHBondContact O-N 3.41Å; E1273-N1276 PolarHBondContact O-N 3.37Å |
| 1274 | S | 79.3 | Confident | 71.4 | Confident | 84 Ų | 84 | 125.4 Ų | 125.4 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.1 | -35.7 | -179.9 | -169.6 | 0 | 0 | 0 | 0 | 113.3 | E1270 L1272 | E1270-S1274 PolarHBondContact O-N 3.42Å; L1272-S1274 VanDerWaalsContact C-N 3.33Å; L1272-S1274 PolarHBondContact O-N 3.29Å |
| 1275 | M | 75.1 | Confident | 70 | Confident | 136 Ų | 136 | 127.4 Ų | 127.4 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.3 | -29.5 | -176.8 | -170 | 172.1 | -68.3 | 0 | 0 | 112.6 | L1272 E1273 M1277 | L1272-M1275 PolarHBondContact O-N 3.08Å; E1273-M1275 PolarHBondContact O-N 3.41Å; M1275-M1277 VanDerWaalsContact C-N 3.27Å; M1275-M1277 PolarHBondContact O-N 2.75Å |
| 1276 | N | 66.4 | Low | 68.3 | Low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.2 | -17.9 | -177.6 | -153.3 | 15.1 | 0 | 0 | 0 | 113 | E1273 | E1273-N1276 PolarHBondContact O-N 3.37Å |
| 1277 | M | 71.6 | Confident | 66.6 | Low | 145 Ų | 145 | 133.1 Ų | 133.1 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.2 | -43.6 | 178.7 | -76.8 | -77 | -73.2 | 0 | 0 | 113.2 | M1275 I1279 N1280 | M1275-M1277 VanDerWaalsContact C-N 3.27Å; M1275-M1277 PolarHBondContact O-N 2.75Å; M1277-I1279 VanDerWaalsContact C-N 3.28Å; M1277-I1279 PolarHBondContact O-N 2.7Å; M1277-N1280 PolarHBondContact O-N 2.71Å |
| 1278 | E | 69.1 | Low | 64.5 | Low | 154 Ų | 154 | 136.3 Ų | 136.3 | 72% | 0.72 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67 | -26 | -172.8 | -69.2 | -163.6 | 127.9 | 0 | 0 | 114.1 | N1280 N1282 | E1278-N1280 VanDerWaalsContact C-N 3.35Å; E1278-N1280 PolarHBondContact O-N 3.23Å; E1278-N1282 PolarHBondContact O-ND2 3.1Å |
| 1279 | I | 63.6 | Low | 62.6 | Low | 127 Ų | 127 | 136.7 Ų | 136.7 | 65% | 0.651 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.2 | -30.8 | -176.3 | -62.2 | 176.7 | 0 | 0 | 0 | 111.7 | M1277 | M1277-I1279 VanDerWaalsContact C-N 3.28Å; M1277-I1279 PolarHBondContact O-N 2.7Å |
| 1280 | N | 58.6 | Low | 61 | Low | 103 Ų | 103 | 140 Ų | 140 | 55% | 0.551 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76.9 | -39.4 | -168.5 | -158.2 | -11.4 | 0 | 0 | 0 | 113.2 | M1277 E1278 N1282 S1283 | M1277-N1280 PolarHBondContact O-N 2.71Å; E1278-N1280 VanDerWaalsContact C-N 3.35Å; E1278-N1280 PolarHBondContact O-N 3.23Å; N1280-N1282 PolarHBondContact O-N 3.2Å; N1280-S1283 PolarHBondContact O-OG 3.02Å |
| 1281 | D | 56.3 | Low | 59.1 | Low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -73.8 | -28.4 | -169.9 | -92.2 | -9.1 | 0 | 0 | 0 | 114.7 | S1283 | D1281-S1283 VanDerWaalsContact C-N 3.28Å; D1281-S1283 PolarHBondContact O-N 3.43Å |
| 1282 | N | 59.1 | Low | 57.3 | Low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -16.2 | -173.5 | -77.6 | -59.5 | 0 | 0 | 0 | 114.4 | E1278 N1280 K1284 | E1278-N1282 PolarHBondContact O-ND2 3.1Å; N1280-N1282 PolarHBondContact O-N 3.2Å; N1282-K1284 PolarHBondContact O-N 2.8Å |
| 1283 | S | 51.7 | Low | 56.1 | Low | 88 Ų | 88 | 146.3 Ų | 146.3 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -14.4 | -168.2 | 59.1 | 0 | 0 | 0 | 0 | 116.5 | N1280 D1281 | N1280-S1283 PolarHBondContact O-OG 3.02Å; D1281-S1283 VanDerWaalsContact C-N 3.28Å; D1281-S1283 PolarHBondContact O-N 3.43Å |
| 1284 | K | 49.8 | Very low | 55.1 | Low | 170 Ų | 170 | 144.5 Ų | 144.5 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -110.9 | 13.3 | -152.9 | -88.2 | 168.7 | -177.5 | 155.5 | 0 | 118.6 | N1282 | N1282-K1284 PolarHBondContact O-N 2.8Š|
| 1285 | K | 51.6 | Low | 53.5 | Low | 193 Ų | 193 | 144.9 Ų | 144.9 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -133.6 | -9.8 | -157.2 | -127.7 | 171.7 | -174.8 | 170.5 | 0 | 122.9 | ||
| 1286 | N | 43.1 | Very low | 52.5 | Low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | trans | -143.7 | 27.9 | -152.1 | -109.8 | 5.9 | 0 | 0 | 0 | 120.7 | ||||
| 1287 | Q | 45 | Very low | 52.2 | Low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | -127.8 | 20.7 | -170.7 | -89.5 | -173.8 | -14.9 | 0 | 0 | 119.1 | ||||
| 1288 | Q | 41.6 | Very low | 51.5 | Low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -87.9 | -34.1 | -170.4 | -162.7 | 63.4 | 61.2 | 0 | 0 | 117.4 | ||
| 1289 | D | 44.3 | Very low | 51.4 | Low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -132.9 | 21.5 | -150.4 | -69.3 | -46.6 | 0 | 0 | 0 | 118.6 | ||
| 1290 | L | 43.5 | Very low | 52 | Low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 69% | 0.691 | S | S | * | * | trans | -130.5 | 5.5 | -163.2 | -135.2 | 80.8 | 0 | 0 | 0 | 121.2 | ||||
| 1291 | W | 42.1 | Very low | 52.8 | Low | 173 Ų | 173 | 134.8 Ų | 134.8 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | trans | -96.5 | -9.2 | -162.3 | -76.9 | 63.2 | 0 | 0 | 0 | 117.8 | H1293 I1298 | W1291-H1293 VanDerWaalsContact C-N 3.32Å; W1291-H1293 PolarHBondContact O-N 3.41Å; W1291-H1293 VanDerWaalsContact O-N 3.12Å; W1291-I1298 HydrophobicContact CE3-CD1 4.21Å; W1291-I1298 HydrophobicContact CZ3-CG2 3.98Å | ||
| 1292 | D | 45.6 | Very low | 53.6 | Low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -6.8 | -166.5 | -92.4 | -6.3 | 0 | 0 | 0 | 117.4 | ||
| 1293 | H | 48.8 | Very low | 54.4 | Low | 182 Ų | 182 | 133.1 Ų | 133.1 | 84% | 0.843 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 14.2 | -157.6 | -87.4 | 16.3 | 0 | 0 | 0 | 118 | W1291 | W1291-H1293 VanDerWaalsContact C-N 3.32Å; W1291-H1293 PolarHBondContact O-N 3.41Å; W1291-H1293 VanDerWaalsContact O-N 3.12Å |
| 1294 | N | 50.5 | Low | 55.7 | Low | 95 Ų | 95 | 133 Ų | 133 | 51% | 0.508 | 66% | 0.664 | S | S | . | * | trans | -152.4 | 50.9 | 178.3 | -156.2 | 30.3 | 0 | 0 | 0 | 116.6 | D1296 I1298 | N1294-D1296 PolarHBondContact O-N 3.45Å; N1294-I1298 WeakPolarHBondContact O-CD1 3.29Å; N1294-I1298 VanDerWaalsContact O-CG1 3.28Å; N1294-I1298 WeakPolarHBondContact O-CG1 3.43Å; N1294-I1298 PolarHBondContact O-N 3.38Å | ||
| 1295 | C | 47.1 | Very low | 57.1 | Low | 92 Ų | 92 | 131.8 Ų | 131.8 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -54.4 | -45.4 | -173.1 | -61.8 | 0 | 0 | 0 | 0 | 115.1 | S1297 I1298 S1299 | C1295-S1297 PolarHBondContact O-N 2.81Å; C1295-I1298 WeakPolarHBondContact O-CB 3.27Å; C1295-I1298 PolarHBondContact O-N 3.2Å; C1295-I1298 VanDerWaalsContact O-N 3.08Å; C1295-S1299 PolarHBondContact O-N 2.7Å |
| 1296 | D | 53.1 | Low | 58.4 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65 | -41.3 | -169.9 | -60.8 | -15.2 | 0 | 0 | 0 | 112.8 | N1294 I1298 | N1294-D1296 PolarHBondContact O-N 3.45Å; D1296-I1298 VanDerWaalsContact C-N 3.34Å |
| 1297 | S | 60.8 | Low | 60.4 | Low | 55 Ų | 55 | 125 Ų | 125 | 39% | 0.385 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -76.4 | -19.7 | 174.8 | -53.6 | 0 | 0 | 0 | 0 | 113.5 | C1295 I1301 | C1295-S1297 PolarHBondContact O-N 2.81Å; S1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; S1297-I1301 WeakPolarHBondContact O-CG1 3.49Å; S1297-I1301 PolarHBondContact O-N 3.48Å |
| 1298 | I | 57 | Low | 62.1 | Low | 48 Ų | 48 | 121.2 Ų | 121.2 | 25% | 0.246 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -70.4 | -36.7 | 176.8 | -73.3 | 168 | 0 | 0 | 0 | 110.3 | W1291 N1294 C1295 D1296 I1301 H1302 | W1291-I1298 HydrophobicContact CE3-CD1 4.21Å; W1291-I1298 HydrophobicContact CZ3-CG2 3.98Å; N1294-I1298 WeakPolarHBondContact O-CD1 3.29Å; N1294-I1298 VanDerWaalsContact O-CG1 3.28Å; N1294-I1298 WeakPolarHBondContact O-CG1 3.43Å; N1294-I1298 PolarHBondContact O-N 3.38Å; C1295-I1298 WeakPolarHBondContact O-CB 3.27Å; C1295-I1298 PolarHBondContact O-N 3.2Å; C1295-I1298 VanDerWaalsContact O-N 3.08Å; D1296-I1298 VanDerWaalsContact C-N 3.34Å; I1298-I1301 PolarHBondContact O-N 3.5Å; I1298-H1302 WeakPolarHBondContact O-CB 3.26Å; I1298-H1302 PolarHBondContact O-N 3.45Å |
| 1299 | S | 67.3 | Low | 64 | Low | 76 Ų | 76 | 117 Ų | 117 | 53% | 0.531 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.7 | -49.5 | 178 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | C1295 I1301 H1302 E1303 | C1295-S1299 PolarHBondContact O-N 2.7Å; S1299-I1301 VanDerWaalsContact C-N 3.32Å; S1299-I1301 PolarHBondContact O-N 3.36Å; S1299-H1302 PolarHBondContact O-N 2.78Å; S1299-H1302 VanDerWaalsContact O-N 3.11Å; S1299-E1303 PolarHBondContact O-N 3.25Å |
| 1300 | E | 74.6 | Confident | 65.5 | Low | 152 Ų | 152 | 114.1 Ų | 114.1 | 71% | 0.71 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.4 | -34.3 | -178.3 | -167.4 | 176.4 | -132.1 | 0 | 0 | 112 | N1304 | E1300-N1304 PolarHBondContact O-N 2.74Å |
| 1301 | I | 75.4 | Confident | 67.5 | Low | 99 Ų | 99 | 111 Ų | 111 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.7 | -39.9 | 171.9 | -68.1 | 171.8 | 0 | 0 | 0 | 110.9 | S1297 I1298 S1299 N1304 Y1305 | S1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; S1297-I1301 WeakPolarHBondContact O-CG1 3.49Å; S1297-I1301 PolarHBondContact O-N 3.48Å; I1298-I1301 PolarHBondContact O-N 3.5Å; S1299-I1301 VanDerWaalsContact C-N 3.32Å; S1299-I1301 PolarHBondContact O-N 3.36Å; I1301-N1304 PolarHBondContact O-N 2.77Å; I1301-Y1305 HydrophobicContact CG2-CD2 3.69Å; I1301-Y1305 HydrophobicContact CG2-CE2 3.65Å; I1301-Y1305 WeakPolarHBondContact O-CD2 3.35Å; I1301-Y1305 PolarHBondContact O-N 3.3Å |
| 1302 | H | 73.3 | Confident | 69.5 | Low | 106 Ų | 106 | 108.2 Ų | 108.2 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.2 | -41.4 | -179.6 | -166.7 | -34.8 | 0 | 0 | 0 | 111.8 | I1298 S1299 N1304 Y1305 Q1306 | I1298-H1302 WeakPolarHBondContact O-CB 3.26Å; I1298-H1302 PolarHBondContact O-N 3.45Å; S1299-H1302 PolarHBondContact O-N 2.78Å; S1299-H1302 VanDerWaalsContact O-N 3.11Å; H1302-N1304 VanDerWaalsContact C-N 3.33Å; H1302-N1304 PolarHBondContact O-N 3.18Å; H1302-Y1305 PolarHBondContact O-N 3.5Å; H1302-Q1306 PolarHBondContact CE1-OE1 3.48Å; H1302-Q1306 VanDerWaalsContact O-CB 3.25Å; H1302-Q1306 WeakPolarHBondContact O-CB 3.49Å; H1302-Q1306 PolarHBondContact O-N 3.41Å |
| 1303 | E | 75.9 | Confident | 71.3 | Confident | 147 Ų | 147 | 105.7 Ų | 105.7 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 174.1 | -75.8 | -170.4 | 133.1 | 0 | 0 | 111.8 | S1299 Q1306 M1307 | S1299-E1303 PolarHBondContact O-N 3.25Å; E1303-Q1306 WeakPolarHBondContact O-CB 3.32Å; E1303-Q1306 PolarHBondContact O-N 3.45Å; E1303-M1307 WeakPolarHBondContact O-CB 3.13Å; E1303-M1307 PolarHBondContact O-N 2.89Å |
| 1304 | N | 80.2 | Confident | 72.8 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | -179.5 | -160.5 | -19 | 0 | 0 | 0 | 112 | E1300 I1301 H1302 Q1308 | E1300-N1304 PolarHBondContact O-N 2.74Å; I1301-N1304 PolarHBondContact O-N 2.77Å; H1302-N1304 VanDerWaalsContact C-N 3.33Å; H1302-N1304 PolarHBondContact O-N 3.18Å; N1304-Q1308 WeakPolarHBondContact O-CG 2.84Å; N1304-Q1308 PolarHBondContact O-N 3.12Å; N1304-Q1308 VanDerWaalsContact O-N 3.13Å; N1304-Q1308 PolarHBondContact OD1-NE2 2.95Å |
| 1305 | Y | 78.7 | Confident | 74.4 | Confident | 145 Ų | 145 | 101.7 Ų | 101.7 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.9 | -38.5 | 171.2 | -80.2 | -60.8 | 0 | 0 | 0 | 112.8 | I1301 H1302 M1307 Q1308 I1309 | I1301-Y1305 HydrophobicContact CG2-CD2 3.69Å; I1301-Y1305 HydrophobicContact CG2-CE2 3.65Å; I1301-Y1305 WeakPolarHBondContact O-CD2 3.35Å; I1301-Y1305 PolarHBondContact O-N 3.3Å; H1302-Y1305 PolarHBondContact O-N 3.5Å; Y1305-M1307 VanDerWaalsContact C-N 3.3Å; Y1305-M1307 PolarHBondContact O-N 3.02Å; Y1305-Q1308 PolarHBondContact O-N 2.88Å; Y1305-I1309 WeakPolarHBondContact O-CB 3.48Å; Y1305-I1309 VanDerWaalsContact O-CG1 3.27Å; Y1305-I1309 WeakPolarHBondContact O-CG1 3.34Å; Y1305-I1309 PolarHBondContact O-N 3Å |
| 1306 | Q | 78.3 | Confident | 76.1 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 175.8 | -162.5 | 78.5 | 1.7 | 0 | 0 | 110.6 | H1302 E1303 I1309 E1310 | H1302-Q1306 PolarHBondContact CE1-OE1 3.48Å; H1302-Q1306 VanDerWaalsContact O-CB 3.25Å; H1302-Q1306 WeakPolarHBondContact O-CB 3.49Å; H1302-Q1306 PolarHBondContact O-N 3.41Å; E1303-Q1306 WeakPolarHBondContact O-CB 3.32Å; E1303-Q1306 PolarHBondContact O-N 3.45Å; Q1306-I1309 PolarHBondContact O-N 3.08Å; Q1306-E1310 PolarHBondContact O-N 2.81Å |
| 1307 | M | 84.6 | Confident | 77.5 | Confident | 123 Ų | 123 | 98.6 Ų | 98.6 | 61% | 0.606 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 178.3 | -175 | 166.6 | 55.1 | 0 | 0 | 112.5 | E1303 Y1305 E1310 L1311 | E1303-M1307 WeakPolarHBondContact O-CB 3.13Å; E1303-M1307 PolarHBondContact O-N 2.89Å; Y1305-M1307 VanDerWaalsContact C-N 3.3Å; Y1305-M1307 PolarHBondContact O-N 3.02Å; M1307-E1310 PolarHBondContact O-N 3.1Å; M1307-L1311 WeakPolarHBondContact O-CB 3.34Å; M1307-L1311 PolarHBondContact O-N 3.33Å |
| 1308 | Q | 81.2 | Confident | 78.7 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 173.6 | -71.7 | 177.6 | 41 | 0 | 0 | 112.6 | N1304 Y1305 L1311 L1312 | N1304-Q1308 WeakPolarHBondContact O-CG 2.84Å; N1304-Q1308 PolarHBondContact O-N 3.12Å; N1304-Q1308 VanDerWaalsContact O-N 3.13Å; N1304-Q1308 PolarHBondContact OD1-NE2 2.95Å; Y1305-Q1308 PolarHBondContact O-N 2.88Å; Q1308-L1311 PolarHBondContact O-N 3.08Å; Q1308-L1312 PolarHBondContact O-N 3.15Å |
| 1309 | I | 81.2 | Confident | 80 | Confident | 81 Ų | 81 | 101.6 Ų | 101.6 | 42% | 0.415 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 175.3 | -72.9 | 165.7 | 0 | 0 | 0 | 111 | Y1305 Q1306 L1312 K1313 | Y1305-I1309 WeakPolarHBondContact O-CB 3.48Å; Y1305-I1309 VanDerWaalsContact O-CG1 3.27Å; Y1305-I1309 WeakPolarHBondContact O-CG1 3.34Å; Y1305-I1309 PolarHBondContact O-N 3Å; Q1306-I1309 PolarHBondContact O-N 3.08Å; I1309-L1312 PolarHBondContact O-N 2.99Å; I1309-K1313 HydrophobicContact CG2-CD 4.16Å; I1309-K1313 WeakPolarHBondContact O-CB 3.32Å; I1309-K1313 VanDerWaalsContact O-CG 3.24Å; I1309-K1313 WeakPolarHBondContact O-CG 3.44Å; I1309-K1313 PolarHBondContact O-N 3.5Å |
| 1310 | E | 77.1 | Confident | 80.7 | Confident | 84 Ų | 84 | 102 Ų | 102 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -33.3 | 174.2 | -67.4 | -49.9 | 133.6 | 0 | 0 | 113.1 | Q1306 M1307 K1313 T1314 | Q1306-E1310 PolarHBondContact O-N 2.81Å; M1307-E1310 PolarHBondContact O-N 3.1Å; E1310-K1313 PolarHBondContact O-N 3.44Å; E1310-K1313 WeakPolarHBondContact OE1-CD 3.46Å; E1310-K1313 IonicContact OE1-NZ 3.64Å; E1310-K1313 PolarHBondContact OE1-NZ 2.78Å; E1310-K1313 WeakPolarHBondContact OE2-CD 3.44Å; E1310-K1313 IonicContact OE2-NZ 3.94Å; E1310-T1314 PolarHBondContact O-N 2.76Å; E1310-T1314 PolarHBondContact O-OG1 2.8Å |
| 1311 | L | 84.7 | Confident | 81 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 174.8 | -130.4 | 160.3 | 0 | 0 | 0 | 111.3 | M1307 Q1308 K1313 T1314 E1315 | M1307-L1311 WeakPolarHBondContact O-CB 3.34Å; M1307-L1311 PolarHBondContact O-N 3.33Å; Q1308-L1311 PolarHBondContact O-N 3.08Å; L1311-K1313 PolarHBondContact O-N 2.78Å; L1311-T1314 WeakPolarHBondContact CA-OG1 3.32Å; L1311-T1314 PolarHBondContact O-N 3.38Å; L1311-T1314 PolarHBondContact O-OG1 3Å; L1311-E1315 HydrophobicContact CD2-CG 4.43Å; L1311-E1315 PolarHBondContact O-N 3.25Å |
| 1312 | L | 83.6 | Confident | 81.4 | Confident | 114 Ų | 114 | 101.5 Ų | 101.5 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 174.5 | -77.7 | 166.6 | 0 | 0 | 0 | 112.8 | Q1308 I1309 Q1316 | Q1308-L1312 PolarHBondContact O-N 3.15Å; I1309-L1312 PolarHBondContact O-N 2.99Å; L1312-Q1316 VanDerWaalsContact O-CB 3.31Å; L1312-Q1316 WeakPolarHBondContact O-CB 3.4Å; L1312-Q1316 PolarHBondContact O-N 3.47Å |
| 1313 | K | 83.6 | Confident | 81.8 | Confident | 101 Ų | 101 | 101.1 Ų | 101.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 173.3 | -77.4 | 169.4 | 179.6 | 177.3 | 0 | 112.1 | I1309 E1310 L1311 Q1316 A1317 | I1309-K1313 HydrophobicContact CG2-CD 4.16Å; I1309-K1313 WeakPolarHBondContact O-CB 3.32Å; I1309-K1313 VanDerWaalsContact O-CG 3.24Å; I1309-K1313 WeakPolarHBondContact O-CG 3.44Å; I1309-K1313 PolarHBondContact O-N 3.5Å; E1310-K1313 PolarHBondContact O-N 3.44Å; E1310-K1313 WeakPolarHBondContact OE1-CD 3.46Å; E1310-K1313 IonicContact OE1-NZ 3.64Å; E1310-K1313 PolarHBondContact OE1-NZ 2.78Å; E1310-K1313 WeakPolarHBondContact OE2-CD 3.44Å; E1310-K1313 IonicContact OE2-NZ 3.94Å; L1311-K1313 PolarHBondContact O-N 2.78Å; K1313-Q1316 PolarHBondContact O-N 3.45Å; K1313-A1317 VanDerWaalsContact O-CB 3.28Å; K1313-A1317 WeakPolarHBondContact O-CB 3.49Å; K1313-A1317 PolarHBondContact O-N 3.44Å |
| 1314 | T | 81.4 | Confident | 82.1 | Confident | 75 Ų | 75 | 98.5 Ų | 98.5 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.5 | -36.3 | -179.7 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | E1310 L1311 A1317 N1318 | E1310-T1314 PolarHBondContact O-N 2.76Å; E1310-T1314 PolarHBondContact O-OG1 2.8Å; L1311-T1314 WeakPolarHBondContact CA-OG1 3.32Å; L1311-T1314 PolarHBondContact O-N 3.38Å; L1311-T1314 PolarHBondContact O-OG1 3Å; T1314-A1317 PolarHBondContact O-N 2.85Å; T1314-N1318 WeakPolarHBondContact O-CB 3.46Å; T1314-N1318 PolarHBondContact O-N 3.1Å; T1314-N1318 PolarHBondContact O-ND2 3.34Å |
| 1315 | E | 84.3 | Confident | 82.3 | Confident | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 168.9 | -72.3 | -173.4 | 155.2 | 0 | 0 | 112.2 | L1311 N1318 C1319 | L1311-E1315 HydrophobicContact CD2-CG 4.43Å; L1311-E1315 PolarHBondContact O-N 3.25Å; E1315-N1318 PolarHBondContact O-N 3.08Å; E1315-C1319 WeakPolarHBondContact O-CB 3.07Å; E1315-C1319 PolarHBondContact O-N 3.11Å |
| 1316 | Q | 82.9 | Confident | 82.4 | Confident | 128 Ų | 128 | 97.1 Ų | 97.1 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 176.2 | -171.6 | 178.4 | 11.8 | 0 | 0 | 111.9 | L1312 K1313 C1319 I1320 | L1312-Q1316 VanDerWaalsContact O-CB 3.31Å; L1312-Q1316 WeakPolarHBondContact O-CB 3.4Å; L1312-Q1316 PolarHBondContact O-N 3.47Å; K1313-Q1316 PolarHBondContact O-N 3.45Å; Q1316-C1319 PolarHBondContact O-N 2.94Å; Q1316-I1320 HydrophobicContact CG-CD1 4.05Å; Q1316-I1320 WeakPolarHBondContact O-CG1 3.44Å; Q1316-I1320 PolarHBondContact O-N 2.96Å |
| 1317 | A | 82.5 | Confident | 82.5 | Confident | 45 Ų | 45 | 99.1 Ų | 99.1 | 37% | 0.372 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | K1313 T1314 I1320 Q1321 | K1313-A1317 VanDerWaalsContact O-CB 3.28Å; K1313-A1317 WeakPolarHBondContact O-CB 3.49Å; K1313-A1317 PolarHBondContact O-N 3.44Å; T1314-A1317 PolarHBondContact O-N 2.85Å; A1317-I1320 PolarHBondContact O-N 3.15Å; A1317-Q1321 WeakPolarHBondContact O-CG 3.41Å; A1317-Q1321 PolarHBondContact O-N 3.39Å |
| 1318 | N | 84.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 95 Ų | 95 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.2 | -72.9 | -22.8 | 0 | 0 | 0 | 111.8 | T1314 E1315 I1320 Q1321 E1322 | T1314-N1318 WeakPolarHBondContact O-CB 3.46Å; T1314-N1318 PolarHBondContact O-N 3.1Å; T1314-N1318 PolarHBondContact O-ND2 3.34Å; E1315-N1318 PolarHBondContact O-N 3.08Å; N1318-I1320 VanDerWaalsContact C-N 3.35Å; N1318-I1320 PolarHBondContact O-N 3.49Å; N1318-Q1321 PolarHBondContact O-N 3.38Å; N1318-E1322 WeakPolarHBondContact O-CB 3.29Å; N1318-E1322 VanDerWaalsContact O-CG 3.3Å; N1318-E1322 WeakPolarHBondContact O-CG 3.36Å; N1318-E1322 PolarHBondContact O-N 2.91Å |
| 1319 | C | 84.1 | Confident | 82.5 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 48% | 0.48 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -40 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | E1315 Q1316 E1322 M1323 | E1315-C1319 WeakPolarHBondContact O-CB 3.07Å; E1315-C1319 PolarHBondContact O-N 3.11Å; Q1316-C1319 PolarHBondContact O-N 2.94Å; C1319-E1322 PolarHBondContact O-N 3.34Å; C1319-M1323 PolarHBondContact O-N 3.42Å |
| 1320 | I | 82.5 | Confident | 82.7 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 44% | 0.441 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 173.6 | -68.8 | 167.5 | 0 | 0 | 0 | 110.5 | Q1316 A1317 N1318 E1322 M1323 T1324 | Q1316-I1320 HydrophobicContact CG-CD1 4.05Å; Q1316-I1320 WeakPolarHBondContact O-CG1 3.44Å; Q1316-I1320 PolarHBondContact O-N 2.96Å; A1317-I1320 PolarHBondContact O-N 3.15Å; N1318-I1320 VanDerWaalsContact C-N 3.35Å; N1318-I1320 PolarHBondContact O-N 3.49Å; I1320-E1322 VanDerWaalsContact C-N 3.34Å; I1320-E1322 PolarHBondContact O-N 3.42Å; I1320-M1323 PolarHBondContact O-N 2.89Å; I1320-T1324 WeakPolarHBondContact O-CB 3.21Å; I1320-T1324 PolarHBondContact O-N 3.3Å; I1320-T1324 PolarHBondContact O-OG1 2.83Å; I1320-T1324 VanDerWaalsContact O-OG1 3.09Å |
| 1321 | Q | 82.1 | Confident | 82.6 | Confident | 132 Ų | 132 | 97.9 Ų | 97.9 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 176 | -76.3 | -173.3 | 3.7 | 0 | 0 | 112.6 | A1317 N1318 T1324 R1325 | A1317-Q1321 WeakPolarHBondContact O-CG 3.41Å; A1317-Q1321 PolarHBondContact O-N 3.39Å; N1318-Q1321 PolarHBondContact O-N 3.38Å; Q1321-T1324 PolarHBondContact O-N 3.35Å; Q1321-R1325 WeakPolarHBondContact O-CB 3.35Å; Q1321-R1325 PolarHBondContact O-N 2.98Å |
| 1322 | E | 83.1 | Confident | 82.5 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 175.6 | -73.5 | -101.6 | 87 | 0 | 0 | 111.9 | N1318 C1319 I1320 R1325 E1326 | N1318-E1322 WeakPolarHBondContact O-CB 3.29Å; N1318-E1322 VanDerWaalsContact O-CG 3.3Å; N1318-E1322 WeakPolarHBondContact O-CG 3.36Å; N1318-E1322 PolarHBondContact O-N 2.91Å; C1319-E1322 PolarHBondContact O-N 3.34Å; I1320-E1322 VanDerWaalsContact C-N 3.34Å; I1320-E1322 PolarHBondContact O-N 3.42Å; E1322-R1325 WeakPolarHBondContact O-CB 3.48Å; E1322-R1325 PolarHBondContact O-N 3.11Å; E1322-R1325 IonicContact OE1-CZ 2.65Å; E1322-R1325 IonicContact OE1-NE 3.33Å; E1322-R1325 PolarHBondContact OE1-NE 2.89Å; E1322-R1325 IonicContact OE1-NH2 2.77Å; E1322-R1325 PolarHBondContact OE1-NH2 2.81Å; E1322-E1326 PolarHBondContact O-N 2.65Å |
| 1323 | M | 81.4 | Confident | 82.5 | Confident | 98 Ų | 98 | 92.8 Ų | 92.8 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.8 | -74.4 | -172.1 | -72.9 | 0 | 0 | 111.8 | C1319 I1320 R1325 E1326 F1327 | C1319-M1323 PolarHBondContact O-N 3.42Å; I1320-M1323 PolarHBondContact O-N 2.89Å; M1323-R1325 VanDerWaalsContact C-N 3.3Å; M1323-R1325 PolarHBondContact O-N 2.91Å; M1323-E1326 PolarHBondContact O-N 3.25Å; M1323-F1327 WeakPolarHBondContact O-CD2 2.97Å; M1323-F1327 PolarHBondContact O-N 3.21Å |
| 1324 | T | 82.1 | Confident | 82.4 | Confident | 92 Ų | 92 | 94.1 Ų | 94.1 | 56% | 0.564 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.9 | -39.6 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | I1320 Q1321 F1327 G1328 | I1320-T1324 WeakPolarHBondContact O-CB 3.21Å; I1320-T1324 PolarHBondContact O-N 3.3Å; I1320-T1324 PolarHBondContact O-OG1 2.83Å; I1320-T1324 VanDerWaalsContact O-OG1 3.09Å; Q1321-T1324 PolarHBondContact O-N 3.35Å; T1324-F1327 PolarHBondContact O-N 2.87Å; T1324-G1328 PolarHBondContact O-N 2.73Å |
| 1325 | R | 83.9 | Confident | 82.3 | Confident | 112 Ų | 112 | 95.8 Ų | 95.8 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.5 | -175.8 | -176 | 63.2 | 63.1 | -5.1 | 111.6 | Q1321 E1322 M1323 Q1329 | Q1321-R1325 WeakPolarHBondContact O-CB 3.35Å; Q1321-R1325 PolarHBondContact O-N 2.98Å; E1322-R1325 WeakPolarHBondContact O-CB 3.48Å; E1322-R1325 PolarHBondContact O-N 3.11Å; E1322-R1325 IonicContact OE1-CZ 2.65Å; E1322-R1325 IonicContact OE1-NE 3.33Å; E1322-R1325 PolarHBondContact OE1-NE 2.89Å; E1322-R1325 IonicContact OE1-NH2 2.77Å; E1322-R1325 PolarHBondContact OE1-NH2 2.81Å; M1323-R1325 VanDerWaalsContact C-N 3.3Å; M1323-R1325 PolarHBondContact O-N 2.91Å; R1325-Q1329 WeakPolarHBondContact O-CB 3.38Å; R1325-Q1329 VanDerWaalsContact O-CG 3.28Å; R1325-Q1329 WeakPolarHBondContact O-CG 3.43Å; R1325-Q1329 PolarHBondContact O-N 3.27Å |
| 1326 | E | 81.7 | Confident | 82.3 | Confident | 89 Ų | 89 | 97.2 Ų | 97.2 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.4 | -82.4 | -149.7 | -179.1 | 0 | 0 | 113.1 | E1322 M1323 Q1329 K1330 | E1322-E1326 PolarHBondContact O-N 2.65Å; M1323-E1326 PolarHBondContact O-N 3.25Å; E1326-Q1329 PolarHBondContact O-N 2.9Å; E1326-K1330 WeakPolarHBondContact O-CB 3.5Å; E1326-K1330 WeakPolarHBondContact O-CD 3.38Å; E1326-K1330 VanDerWaalsContact O-CG 3.26Å; E1326-K1330 WeakPolarHBondContact O-CG 3.29Å; E1326-K1330 PolarHBondContact O-N 3.27Å; E1326-K1330 WeakPolarHBondContact OE2-CE 3.23Å; E1326-K1330 IonicContact OE2-NZ 2.73Å; E1326-K1330 PolarHBondContact OE2-NZ 3.48Å |
| 1327 | F | 80.1 | Confident | 82.3 | Confident | 130 Ų | 130 | 95.5 Ų | 95.5 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 177.5 | -80.7 | -65.4 | 0 | 0 | 0 | 111.6 | M1323 T1324 Q1329 K1330 L1331 | M1323-F1327 WeakPolarHBondContact O-CD2 2.97Å; M1323-F1327 PolarHBondContact O-N 3.21Å; T1324-F1327 PolarHBondContact O-N 2.87Å; F1327-Q1329 PolarHBondContact O-N 2.95Å; F1327-K1330 PolarHBondContact O-N 3.46Å; F1327-L1331 WeakPolarHBondContact O-CB 3.47Å; F1327-L1331 WeakPolarHBondContact O-CG 3.26Å; F1327-L1331 PolarHBondContact O-N 2.82Å |
| 1328 | G | 82.4 | Confident | 82.2 | Confident | 38 Ų | 38 | 97.8 Ų | 97.8 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1324 S1332 | T1324-G1328 PolarHBondContact O-N 2.73Å; G1328-S1332 VanDerWaalsContact O-CB 3.25Å; G1328-S1332 WeakPolarHBondContact O-CB 3.27Å; G1328-S1332 PolarHBondContact O-N 3.15Å |
| 1329 | Q | 83.5 | Confident | 82 | Confident | 108 Ų | 108 | 98.8 Ų | 98.8 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 174.8 | -75.5 | 176 | -10.5 | 0 | 0 | 112.6 | R1325 E1326 F1327 T1333 | R1325-Q1329 WeakPolarHBondContact O-CB 3.38Å; R1325-Q1329 VanDerWaalsContact O-CG 3.28Å; R1325-Q1329 WeakPolarHBondContact O-CG 3.43Å; R1325-Q1329 PolarHBondContact O-N 3.27Å; E1326-Q1329 PolarHBondContact O-N 2.9Å; F1327-Q1329 PolarHBondContact O-N 2.95Å; Q1329-T1333 WeakPolarHBondContact O-CB 3.42Å; Q1329-T1333 PolarHBondContact O-N 3.47Å; Q1329-T1333 PolarHBondContact O-OG1 2.77Å |
| 1330 | K | 84.7 | Confident | 82 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 176.3 | -71.2 | 163.1 | -168.2 | 166.4 | 0 | 111.7 | E1326 F1327 T1333 K1334 | E1326-K1330 WeakPolarHBondContact O-CB 3.5Å; E1326-K1330 WeakPolarHBondContact O-CD 3.38Å; E1326-K1330 VanDerWaalsContact O-CG 3.26Å; E1326-K1330 WeakPolarHBondContact O-CG 3.29Å; E1326-K1330 PolarHBondContact O-N 3.27Å; E1326-K1330 WeakPolarHBondContact OE2-CE 3.23Å; E1326-K1330 IonicContact OE2-NZ 2.73Å; E1326-K1330 PolarHBondContact OE2-NZ 3.48Å; F1327-K1330 PolarHBondContact O-N 3.46Å; K1330-T1333 PolarHBondContact O-N 2.77Å; K1330-K1334 PolarHBondContact O-N 3.22Å |
| 1331 | L | 75.8 | Confident | 81.9 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.1 | -55.6 | 172.9 | -78.2 | 165.1 | 0 | 0 | 0 | 111.2 | F1327 T1333 K1334 E1335 | F1327-L1331 WeakPolarHBondContact O-CB 3.47Å; F1327-L1331 WeakPolarHBondContact O-CG 3.26Å; F1327-L1331 PolarHBondContact O-N 2.82Å; L1331-T1333 PolarHBondContact O-N 3.35Å; L1331-K1334 CarbonylContact O-C 3.57Å; L1331-K1334 WeakPolarHBondContact O-CA 3.34Å; L1331-K1334 PolarHBondContact O-N 3.22Å; L1331-E1335 WeakPolarHBondContact O-CG 3.38Å; L1331-E1335 PolarHBondContact O-N 3.29Å |
| 1332 | S | 81.4 | Confident | 81.9 | Confident | 48 Ų | 48 | 98.3 Ų | 98.3 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.3 | -27.5 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 113.7 | G1328 E1335 R1336 | G1328-S1332 VanDerWaalsContact O-CB 3.25Å; G1328-S1332 WeakPolarHBondContact O-CB 3.27Å; G1328-S1332 PolarHBondContact O-N 3.15Å; S1332-E1335 WeakPolarHBondContact CA-OE2 3.33Å; S1332-R1336 WeakPolarHBondContact O-CG 3.44Å; S1332-R1336 PolarHBondContact O-N 2.78Å; S1332-R1336 PolarHBondContact O-NE 2.74Å; S1332-R1336 PolarHBondContact O-NH2 3.18Å |
| 1333 | T | 84 | Confident | 82 | Confident | 59 Ų | 59 | 99.4 Ų | 99.4 | 36% | 0.362 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76 | -44.5 | 173.4 | -56 | 0 | 0 | 0 | 0 | 111.2 | Q1329 K1330 L1331 R1336 E1337 | Q1329-T1333 WeakPolarHBondContact O-CB 3.42Å; Q1329-T1333 PolarHBondContact O-N 3.47Å; Q1329-T1333 PolarHBondContact O-OG1 2.77Å; K1330-T1333 PolarHBondContact O-N 2.77Å; L1331-T1333 PolarHBondContact O-N 3.35Å; T1333-R1336 PolarHBondContact O-N 3.24Å; T1333-R1336 PolarHBondContact OG1-NH2 3.25Å; T1333-E1337 WeakPolarHBondContact O-CG 3.45Å; T1333-E1337 PolarHBondContact O-N 3Å |
| 1334 | K | 82.1 | Confident | 82.3 | Confident | 129 Ų | 129 | 99 Ų | 99 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -36.5 | 176 | -86.7 | -72 | 169.6 | -161.2 | 0 | 113.8 | K1330 L1331 E1337 V1338 | K1330-K1334 PolarHBondContact O-N 3.22Å; L1331-K1334 CarbonylContact O-C 3.57Å; L1331-K1334 WeakPolarHBondContact O-CA 3.34Å; L1331-K1334 PolarHBondContact O-N 3.22Å; K1334-E1337 WeakPolarHBondContact CD-OE2 3.16Å; K1334-E1337 VanDerWaalsContact CE-OE2 3.3Å; K1334-E1337 WeakPolarHBondContact CE-OE2 3.28Å; K1334-E1337 IonicContact NZ-OE2 2.65Å; K1334-E1337 PolarHBondContact NZ-OE2 2.92Å; K1334-E1337 PolarHBondContact O-N 2.77Å; K1334-V1338 WeakPolarHBondContact O-CG2 3.28Å; K1334-V1338 PolarHBondContact O-N 3.21Å |
| 1335 | E | 79.3 | Confident | 82.2 | Confident | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 172 | -71.8 | 163.2 | 176.7 | 0 | 0 | 110.8 | L1331 S1332 E1337 V1338 I1339 | L1331-E1335 WeakPolarHBondContact O-CG 3.38Å; L1331-E1335 PolarHBondContact O-N 3.29Å; S1332-E1335 WeakPolarHBondContact CA-OE2 3.33Å; E1335-E1337 PolarHBondContact O-N 3.43Å; E1335-V1338 PolarHBondContact O-N 3.21Å; E1335-I1339 WeakPolarHBondContact O-CB 3.5Å; E1335-I1339 WeakPolarHBondContact O-CD1 2.91Å; E1335-I1339 VanDerWaalsContact O-CG1 3.24Å; E1335-I1339 WeakPolarHBondContact O-CG1 3.43Å; E1335-I1339 PolarHBondContact O-N 3.02Å |
| 1336 | R | 83.5 | Confident | 81.9 | Confident | 148 Ų | 148 | 98.5 Ų | 98.5 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -35.6 | 175.9 | -78.3 | 177.7 | -72.7 | 148.2 | 1.5 | 113.2 | S1332 T1333 A1340 | S1332-R1336 WeakPolarHBondContact O-CG 3.44Å; S1332-R1336 PolarHBondContact O-N 2.78Å; S1332-R1336 PolarHBondContact O-NE 2.74Å; S1332-R1336 PolarHBondContact O-NH2 3.18Å; T1333-R1336 PolarHBondContact O-N 3.24Å; T1333-R1336 PolarHBondContact OG1-NH2 3.25Å; R1336-A1340 VanDerWaalsContact O-CB 3.29Å; R1336-A1340 WeakPolarHBondContact O-CB 3.29Å; R1336-A1340 PolarHBondContact O-N 3.36Å |
| 1337 | E | 83.1 | Confident | 82 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 172.1 | -73.7 | 174.9 | -159.9 | 0 | 0 | 112 | T1333 K1334 E1335 A1340 Q1341 | T1333-E1337 WeakPolarHBondContact O-CG 3.45Å; T1333-E1337 PolarHBondContact O-N 3Å; K1334-E1337 WeakPolarHBondContact CD-OE2 3.16Å; K1334-E1337 VanDerWaalsContact CE-OE2 3.3Å; K1334-E1337 WeakPolarHBondContact CE-OE2 3.28Å; K1334-E1337 IonicContact NZ-OE2 2.65Å; K1334-E1337 PolarHBondContact NZ-OE2 2.92Å; K1334-E1337 PolarHBondContact O-N 2.77Å; E1335-E1337 PolarHBondContact O-N 3.43Å; E1337-A1340 PolarHBondContact O-N 3.25Å; E1337-Q1341 WeakPolarHBondContact O-CB 3.43Å; E1337-Q1341 PolarHBondContact O-N 2.92Å |
| 1338 | V | 80.2 | Confident | 82.2 | Confident | 93 Ų | 93 | 97.2 Ų | 97.2 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | K1334 E1335 A1340 Q1341 Q1342 | K1334-V1338 WeakPolarHBondContact O-CG2 3.28Å; K1334-V1338 PolarHBondContact O-N 3.21Å; E1335-V1338 PolarHBondContact O-N 3.21Å; V1338-A1340 VanDerWaalsContact C-N 3.32Å; V1338-A1340 PolarHBondContact O-N 3.21Å; V1338-Q1341 PolarHBondContact O-N 2.97Å; V1338-Q1342 WeakPolarHBondContact O-CB 3.46Å; V1338-Q1342 PolarHBondContact O-N 3.36Å |
| 1339 | I | 82 | Confident | 82 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 60% | 0.595 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | 175.8 | -68.7 | 163.8 | 0 | 0 | 0 | 111 | E1335 K1343 | E1335-I1339 WeakPolarHBondContact O-CB 3.5Å; E1335-I1339 WeakPolarHBondContact O-CD1 2.91Å; E1335-I1339 VanDerWaalsContact O-CG1 3.24Å; E1335-I1339 WeakPolarHBondContact O-CG1 3.43Å; E1335-I1339 PolarHBondContact O-N 3.02Å; I1339-K1343 WeakPolarHBondContact O-CB 3.48Å; I1339-K1343 PolarHBondContact O-N 2.99Å |
| 1340 | A | 83.8 | Confident | 82 | Confident | 51 Ų | 51 | 97.6 Ų | 97.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1336 E1337 V1338 K1343 I1344 | R1336-A1340 VanDerWaalsContact O-CB 3.29Å; R1336-A1340 WeakPolarHBondContact O-CB 3.29Å; R1336-A1340 PolarHBondContact O-N 3.36Å; E1337-A1340 PolarHBondContact O-N 3.25Å; V1338-A1340 VanDerWaalsContact C-N 3.32Å; V1338-A1340 PolarHBondContact O-N 3.21Å; A1340-K1343 PolarHBondContact O-N 3.4Å; A1340-I1344 WeakPolarHBondContact O-CG1 3.33Å; A1340-I1344 PolarHBondContact O-N 3.46Å; A1340-I1344 VanDerWaalsContact O-N 3.13Å |
| 1341 | Q | 79.7 | Confident | 81.8 | Confident | 136 Ų | 136 | 96.1 Ų | 96.1 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -49 | 176.5 | -158.3 | 76.8 | 15.2 | 0 | 0 | 111.2 | E1337 V1338 K1343 I1344 E1345 | E1337-Q1341 WeakPolarHBondContact O-CB 3.43Å; E1337-Q1341 PolarHBondContact O-N 2.92Å; V1338-Q1341 PolarHBondContact O-N 2.97Å; Q1341-K1343 VanDerWaalsContact C-N 3.31Å; Q1341-K1343 PolarHBondContact O-N 2.82Å; Q1341-I1344 PolarHBondContact O-N 2.79Å; Q1341-E1345 PolarHBondContact O-N 3.24Å |
| 1342 | Q | 82.7 | Confident | 82.2 | Confident | 91 Ų | 91 | 97.2 Ų | 97.2 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 177.9 | -170.1 | 65.5 | 67.4 | 0 | 0 | 111.8 | V1338 E1345 N1346 | V1338-Q1342 WeakPolarHBondContact O-CB 3.46Å; V1338-Q1342 PolarHBondContact O-N 3.36Å; Q1342-E1345 PolarHBondContact O-N 2.76Å; Q1342-N1346 PolarHBondContact NE2-OD1 2.66Å; Q1342-N1346 WeakPolarHBondContact O-CB 3.41Å; Q1342-N1346 PolarHBondContact O-N 2.81Å; Q1342-N1346 PolarHBondContact O-OD1 3.33Å; Q1342-N1346 VanDerWaalsContact O-OD1 3.12Å |
| 1343 | K | 85.5 | Confident | 81.9 | Confident | 132 Ų | 132 | 99.2 Ų | 99.2 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 175.7 | -176 | 172.4 | -179.8 | 176.5 | 0 | 111.9 | I1339 A1340 Q1341 E1345 N1346 D1347 | I1339-K1343 WeakPolarHBondContact O-CB 3.48Å; I1339-K1343 PolarHBondContact O-N 2.99Å; A1340-K1343 PolarHBondContact O-N 3.4Å; Q1341-K1343 VanDerWaalsContact C-N 3.31Å; Q1341-K1343 PolarHBondContact O-N 2.82Å; K1343-E1345 VanDerWaalsContact C-N 3.29Å; K1343-E1345 PolarHBondContact O-N 3.35Å; K1343-N1346 PolarHBondContact O-N 2.78Å; K1343-D1347 WeakPolarHBondContact O-CB 3.42Å; K1343-D1347 PolarHBondContact O-N 3.12Å |
| 1344 | I | 86.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 177.4 | -68.7 | 165 | 0 | 0 | 0 | 111.1 | A1340 Q1341 Q1348 | A1340-I1344 WeakPolarHBondContact O-CG1 3.33Å; A1340-I1344 PolarHBondContact O-N 3.46Å; A1340-I1344 VanDerWaalsContact O-N 3.13Å; Q1341-I1344 PolarHBondContact O-N 2.79Å; I1344-Q1348 VanDerWaalsContact O-CG 3.31Å; I1344-Q1348 WeakPolarHBondContact O-CG 3.23Å; I1344-Q1348 PolarHBondContact O-N 2.75Å; I1344-Q1348 VanDerWaalsContact O-N 3.15Å |
| 1345 | E | 80.1 | Confident | 81.8 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 175.3 | -173.2 | 161.6 | -144.8 | 0 | 0 | 111.9 | Q1341 Q1342 K1343 D1347 Q1348 T1349 | Q1341-E1345 PolarHBondContact O-N 3.24Å; Q1342-E1345 PolarHBondContact O-N 2.76Å; K1343-E1345 VanDerWaalsContact C-N 3.29Å; K1343-E1345 PolarHBondContact O-N 3.35Å; E1345-D1347 PolarHBondContact O-N 2.97Å; E1345-Q1348 WeakPolarHBondContact O-CB 3.45Å; E1345-Q1348 PolarHBondContact O-N 2.66Å; E1345-Q1348 VanDerWaalsContact O-N 3.16Å; E1345-T1349 PolarHBondContact O-N 3.38Å; E1345-T1349 PolarHBondContact O-OG1 3.31Å |
| 1346 | N | 78.2 | Confident | 81.7 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.2 | -68.3 | 7.1 | 0 | 0 | 0 | 112.4 | Q1342 K1343 Q1348 T1349 L1350 | Q1342-N1346 PolarHBondContact NE2-OD1 2.66Å; Q1342-N1346 WeakPolarHBondContact O-CB 3.41Å; Q1342-N1346 PolarHBondContact O-N 2.81Å; Q1342-N1346 PolarHBondContact O-OD1 3.33Å; Q1342-N1346 VanDerWaalsContact O-OD1 3.12Å; K1343-N1346 PolarHBondContact O-N 2.78Å; N1346-Q1348 VanDerWaalsContact C-N 3.27Å; N1346-Q1348 PolarHBondContact O-N 3.39Å; N1346-T1349 WeakPolarHBondContact CA-OG1 3.31Å; N1346-T1349 PolarHBondContact O-N 3.34Å; N1346-T1349 PolarHBondContact O-OG1 2.98Å; N1346-T1349 VanDerWaalsContact O-OG1 3.07Å; N1346-L1350 VanDerWaalsContact O-CB 3.26Å; N1346-L1350 WeakPolarHBondContact O-CB 3.47Å; N1346-L1350 PolarHBondContact O-N 3.48Å |
| 1347 | D | 83.9 | Confident | 81.4 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -33.5 | 175.3 | -73.4 | -27.8 | 0 | 0 | 0 | 111 | K1343 E1345 T1351 | K1343-D1347 WeakPolarHBondContact O-CB 3.42Å; K1343-D1347 PolarHBondContact O-N 3.12Å; E1345-D1347 PolarHBondContact O-N 2.97Å; D1347-T1351 WeakPolarHBondContact O-CB 3.45Å; D1347-T1351 PolarHBondContact O-N 2.8Å; D1347-T1351 VanDerWaalsContact O-N 3.13Å; D1347-T1351 PolarHBondContact O-OG1 3.15Å |
| 1348 | Q | 82.9 | Confident | 81.3 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.4 | -41.9 | 174.2 | -74.2 | 178.5 | 41.3 | 0 | 0 | 113.3 | I1344 E1345 N1346 T1351 K1352 | I1344-Q1348 VanDerWaalsContact O-CG 3.31Å; I1344-Q1348 WeakPolarHBondContact O-CG 3.23Å; I1344-Q1348 PolarHBondContact O-N 2.75Å; I1344-Q1348 VanDerWaalsContact O-N 3.15Å; E1345-Q1348 WeakPolarHBondContact O-CB 3.45Å; E1345-Q1348 PolarHBondContact O-N 2.66Å; E1345-Q1348 VanDerWaalsContact O-N 3.16Å; N1346-Q1348 VanDerWaalsContact C-N 3.27Å; N1346-Q1348 PolarHBondContact O-N 3.39Å; Q1348-T1351 PolarHBondContact O-N 3.43Å; Q1348-K1352 WeakPolarHBondContact O-CG 3.33Å; Q1348-K1352 PolarHBondContact O-N 3.02Å |
| 1349 | T | 80 | Confident | 81.4 | Confident | 67 Ų | 67 | 98.6 Ų | 98.6 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | E1345 N1346 T1351 K1352 L1353 | E1345-T1349 PolarHBondContact O-N 3.38Å; E1345-T1349 PolarHBondContact O-OG1 3.31Å; N1346-T1349 WeakPolarHBondContact CA-OG1 3.31Å; N1346-T1349 PolarHBondContact O-N 3.34Å; N1346-T1349 PolarHBondContact O-OG1 2.98Å; N1346-T1349 VanDerWaalsContact O-OG1 3.07Å; T1349-T1351 VanDerWaalsContact C-N 3.29Å; T1349-T1351 PolarHBondContact O-N 2.77Å; T1349-K1352 PolarHBondContact O-N 2.82Å; T1349-L1353 PolarHBondContact O-N 2.88Å |
| 1350 | L | 81.7 | Confident | 81.3 | Confident | 87 Ų | 87 | 95.5 Ų | 95.5 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 173.2 | -176.9 | 61.7 | 0 | 0 | 0 | 112.3 | N1346 K1354 | N1346-L1350 VanDerWaalsContact O-CB 3.26Å; N1346-L1350 WeakPolarHBondContact O-CB 3.47Å; N1346-L1350 PolarHBondContact O-N 3.48Å; L1350-K1354 WeakPolarHBondContact O-CG 3.42Å; L1350-K1354 PolarHBondContact O-N 2.9Å; L1350-K1354 VanDerWaalsContact O-N 3.1Å |
| 1351 | T | 82.1 | Confident | 81.2 | Confident | 77 Ų | 77 | 96.6 Ų | 96.6 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 175.2 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | D1347 Q1348 T1349 Q1355 | D1347-T1351 WeakPolarHBondContact O-CB 3.45Å; D1347-T1351 PolarHBondContact O-N 2.8Å; D1347-T1351 VanDerWaalsContact O-N 3.13Å; D1347-T1351 PolarHBondContact O-OG1 3.15Å; Q1348-T1351 PolarHBondContact O-N 3.43Å; T1349-T1351 VanDerWaalsContact C-N 3.29Å; T1349-T1351 PolarHBondContact O-N 2.77Å; T1351-Q1355 WeakPolarHBondContact O-CG 3.45Å; T1351-Q1355 PolarHBondContact O-N 3.26Å |
| 1352 | K | 83.5 | Confident | 81.3 | Confident | 131 Ų | 131 | 95.7 Ų | 95.7 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 174.6 | -70.4 | 173.3 | -178.4 | 176 | 0 | 112.1 | Q1348 T1349 Q1355 M1356 | Q1348-K1352 WeakPolarHBondContact O-CG 3.33Å; Q1348-K1352 PolarHBondContact O-N 3.02Å; T1349-K1352 PolarHBondContact O-N 2.82Å; K1352-Q1355 PolarHBondContact O-N 3.14Å; K1352-M1356 PolarHBondContact O-N 3.41Å |
| 1353 | L | 74.8 | Confident | 81.2 | Confident | 90 Ų | 90 | 94.7 Ų | 94.7 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58 | -50.4 | 175.6 | -94.2 | 163.2 | 0 | 0 | 0 | 111.2 | T1349 Q1355 M1356 E1357 | T1349-L1353 PolarHBondContact O-N 2.88Å; L1353-Q1355 VanDerWaalsContact C-N 3.29Å; L1353-Q1355 PolarHBondContact O-N 2.98Å; L1353-M1356 CarbonylContact O-C 3.57Å; L1353-M1356 WeakPolarHBondContact O-CA 3.06Å; L1353-M1356 WeakPolarHBondContact O-CB 3.45Å; L1353-M1356 PolarHBondContact O-N 2.83Å; L1353-E1357 WeakPolarHBondContact O-CG 3.48Å; L1353-E1357 PolarHBondContact O-N 3.07Å |
| 1354 | K | 82.8 | Confident | 80.7 | Confident | 122 Ų | 122 | 91.7 Ų | 91.7 | 53% | 0.53 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 178.4 | -73.1 | -179.1 | 177.3 | -176.1 | 0 | 113.9 | L1350 E1357 Q1358 | L1350-K1354 WeakPolarHBondContact O-CG 3.42Å; L1350-K1354 PolarHBondContact O-N 2.9Å; L1350-K1354 VanDerWaalsContact O-N 3.1Å; K1354-E1357 WeakPolarHBondContact CA-OE2 3.18Å; K1354-Q1358 WeakPolarHBondContact O-CB 3.38Å; K1354-Q1358 PolarHBondContact O-N 3.49Å |
| 1355 | Q | 80.6 | Confident | 80.4 | Confident | 126 Ų | 126 | 90 Ų | 90 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.7 | -36.6 | 173.3 | -71.7 | 173.8 | -12.4 | 0 | 0 | 111.9 | T1351 K1352 L1353 S1359 | T1351-Q1355 WeakPolarHBondContact O-CG 3.45Å; T1351-Q1355 PolarHBondContact O-N 3.26Å; K1352-Q1355 PolarHBondContact O-N 3.14Å; L1353-Q1355 VanDerWaalsContact C-N 3.29Å; L1353-Q1355 PolarHBondContact O-N 2.98Å; Q1355-S1359 PolarHBondContact O-N 3.17Å; Q1355-S1359 VanDerWaalsContact O-N 3.08Å |
| 1356 | M | 77.9 | Confident | 80.5 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.7 | -44.9 | 176 | -161.4 | -171.6 | -60 | 0 | 0 | 111.8 | K1352 L1353 Q1358 S1359 H1360 L1525 | K1352-M1356 PolarHBondContact O-N 3.41Å; L1353-M1356 CarbonylContact O-C 3.57Å; L1353-M1356 WeakPolarHBondContact O-CA 3.06Å; L1353-M1356 WeakPolarHBondContact O-CB 3.45Å; L1353-M1356 PolarHBondContact O-N 2.83Å; M1356-Q1358 PolarHBondContact O-N 2.85Å; M1356-S1359 PolarHBondContact O-N 3.42Å; M1356-H1360 VanDerWaalsContact CG-CE1 3.48Å; M1356-H1360 WeakPolarHBondContact CG-CE1 3.36Å; M1356-H1360 VanDerWaalsContact O-CG 3.26Å; M1356-H1360 PolarHBondContact O-N 3.42Å; M1356-L1525 HydrophobicContact SD-CD2 3.9Å |
| 1357 | E | 77.2 | Confident | 80.6 | Confident | 108 Ų | 108 | 90 Ų | 90 | 51% | 0.505 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 173.7 | -70.9 | 172.6 | 154.4 | 0 | 0 | 112.2 | L1353 K1354 H1360 S1361 | L1353-E1357 WeakPolarHBondContact O-CG 3.48Å; L1353-E1357 PolarHBondContact O-N 3.07Å; K1354-E1357 WeakPolarHBondContact CA-OE2 3.18Å; E1357-H1360 PolarHBondContact O-N 2.86Å; E1357-S1361 WeakPolarHBondContact O-CB 3.28Å; E1357-S1361 PolarHBondContact O-N 2.82Å; E1357-S1361 PolarHBondContact O-OG 3.47Å |
| 1358 | Q | 81.4 | Confident | 80.5 | Confident | 120 Ų | 120 | 92.4 Ų | 92.4 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.9 | -47 | 174.4 | -175.1 | -179.7 | -25.9 | 0 | 0 | 111.2 | K1354 M1356 H1360 S1361 E1362 | K1354-Q1358 WeakPolarHBondContact O-CB 3.38Å; K1354-Q1358 PolarHBondContact O-N 3.49Å; M1356-Q1358 PolarHBondContact O-N 2.85Å; Q1358-H1360 VanDerWaalsContact C-N 3.32Å; Q1358-H1360 PolarHBondContact O-N 3.37Å; Q1358-S1361 WeakPolarHBondContact O-CB 3.26Å; Q1358-S1361 PolarHBondContact O-N 3.49Å; Q1358-S1361 VanDerWaalsContact O-N 3.15Å; Q1358-E1362 WeakPolarHBondContact CG-OE1 3.37Å; Q1358-E1362 PolarHBondContact NE2-OE1 3.27Å; Q1358-E1362 WeakPolarHBondContact O-CG 3.46Å; Q1358-E1362 PolarHBondContact O-N 2.78Å |
| 1359 | S | 81.3 | Confident | 80.5 | Confident | 52 Ų | 52 | 93.7 Ų | 93.7 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 178.3 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | Q1355 M1356 E1362 K1363 | Q1355-S1359 PolarHBondContact O-N 3.17Å; Q1355-S1359 VanDerWaalsContact O-N 3.08Å; M1356-S1359 PolarHBondContact O-N 3.42Å; S1359-E1362 PolarHBondContact O-N 3.15Å; S1359-K1363 WeakPolarHBondContact O-CG 3.32Å; S1359-K1363 PolarHBondContact O-N 3.34Å; S1359-K1363 VanDerWaalsContact O-N 3.1Å |
| 1360 | H | 80.5 | Confident | 80.6 | Confident | 52 Ų | 52 | 92.6 Ų | 92.6 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 175.2 | -63.9 | 166.7 | 0 | 0 | 0 | 112.4 | M1356 E1357 Q1358 K1363 L1364 | M1356-H1360 VanDerWaalsContact CG-CE1 3.48Å; M1356-H1360 WeakPolarHBondContact CG-CE1 3.36Å; M1356-H1360 VanDerWaalsContact O-CG 3.26Å; M1356-H1360 PolarHBondContact O-N 3.42Å; E1357-H1360 PolarHBondContact O-N 2.86Å; Q1358-H1360 VanDerWaalsContact C-N 3.32Å; Q1358-H1360 PolarHBondContact O-N 3.37Å; H1360-K1363 PolarHBondContact O-N 2.78Å; H1360-L1364 WeakPolarHBondContact O-CB 3.47Å; H1360-L1364 VanDerWaalsContact O-CG 3.29Å; H1360-L1364 WeakPolarHBondContact O-CG 3.5Å; H1360-L1364 PolarHBondContact O-N 3.48Å |
| 1361 | S | 80.8 | Confident | 80.4 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 52% | 0.517 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | E1357 Q1358 K1363 L1364 A1365 | E1357-S1361 WeakPolarHBondContact O-CB 3.28Å; E1357-S1361 PolarHBondContact O-N 2.82Å; E1357-S1361 PolarHBondContact O-OG 3.47Å; Q1358-S1361 WeakPolarHBondContact O-CB 3.26Å; Q1358-S1361 PolarHBondContact O-N 3.49Å; Q1358-S1361 VanDerWaalsContact O-N 3.15Å; S1361-K1363 PolarHBondContact O-N 3.01Å; S1361-L1364 PolarHBondContact O-N 3.08Å; S1361-A1365 PolarHBondContact O-N 2.8Å; S1361-A1365 VanDerWaalsContact O-N 3.08Å |
| 1362 | E | 82.6 | Confident | 80.4 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176 | -72.1 | 170.7 | -169.8 | 0 | 0 | 112 | Q1358 S1359 Y1366 | Q1358-E1362 WeakPolarHBondContact CG-OE1 3.37Å; Q1358-E1362 PolarHBondContact NE2-OE1 3.27Å; Q1358-E1362 WeakPolarHBondContact O-CG 3.46Å; Q1358-E1362 PolarHBondContact O-N 2.78Å; S1359-E1362 PolarHBondContact O-N 3.15Å; E1362-Y1366 PolarHBondContact O-N 3.33Å |
| 1363 | K | 80 | Confident | 80.3 | Confident | 71 Ų | 71 | 90 Ų | 90 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -42 | 174.3 | -67.8 | -172.4 | -165.5 | 171.5 | 0 | 113.4 | S1359 H1360 S1361 A1365 Y1366 F1367 E1521 | S1359-K1363 WeakPolarHBondContact O-CG 3.32Å; S1359-K1363 PolarHBondContact O-N 3.34Å; S1359-K1363 VanDerWaalsContact O-N 3.1Å; H1360-K1363 PolarHBondContact O-N 2.78Å; S1361-K1363 PolarHBondContact O-N 3.01Å; K1363-A1365 VanDerWaalsContact C-N 3.32Å; K1363-A1365 PolarHBondContact O-N 2.84Å; K1363-Y1366 WeakPolarHBondContact O-CB 3.48Å; K1363-Y1366 PolarHBondContact O-N 3.24Å; K1363-Y1366 VanDerWaalsContact O-N 3.15Å; K1363-F1367 HydrophobicContact CB-CD2 4.46Å; K1363-F1367 HydrophobicContact CB-CE2 3.93Å; K1363-F1367 WeakPolarHBondContact O-CD2 3.4Å; K1363-F1367 WeakPolarHBondContact O-CG 3.3Å; K1363-F1367 PolarHBondContact O-N 3.11Å; K1363-E1521 WeakPolarHBondContact CD-OE1 3.43Å; K1363-E1521 WeakPolarHBondContact CE-OE1 3.34Å; K1363-E1521 IonicContact NZ-OE1 3.37Å; K1363-E1521 PolarHBondContact NZ-OE1 3.39Å |
| 1364 | L | 75.3 | Confident | 80.6 | Confident | 69 Ų | 69 | 92.6 Ų | 92.6 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 178 | -76.7 | 169.6 | 0 | 0 | 0 | 111 | H1360 S1361 Y1366 F1367 E1368 R1518 | H1360-L1364 WeakPolarHBondContact O-CB 3.47Å; H1360-L1364 VanDerWaalsContact O-CG 3.29Å; H1360-L1364 WeakPolarHBondContact O-CG 3.5Å; H1360-L1364 PolarHBondContact O-N 3.48Å; S1361-L1364 PolarHBondContact O-N 3.08Å; L1364-Y1366 VanDerWaalsContact C-N 3.33Å; L1364-Y1366 PolarHBondContact O-N 2.94Å; L1364-F1367 PolarHBondContact O-N 3.17Å; L1364-F1367 VanDerWaalsContact O-N 3.12Å; L1364-E1368 WeakPolarHBondContact O-CG 3.21Å; L1364-E1368 PolarHBondContact O-N 3.02Å; L1364-R1518 HydrophobicContact CD2-CG 4.31Å |
| 1365 | A | 81 | Confident | 80.4 | Confident | 55 Ų | 55 | 91.1 Ų | 91.1 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1361 K1363 F1367 E1368 E1369 | S1361-A1365 PolarHBondContact O-N 2.8Å; S1361-A1365 VanDerWaalsContact O-N 3.08Å; K1363-A1365 VanDerWaalsContact C-N 3.32Å; K1363-A1365 PolarHBondContact O-N 2.84Å; A1365-F1367 VanDerWaalsContact C-N 3.35Å; A1365-F1367 PolarHBondContact O-N 3.42Å; A1365-E1368 PolarHBondContact O-N 3.03Å; A1365-E1369 PolarHBondContact O-N 3.02Å |
| 1366 | Y | 82.4 | Confident | 80.5 | Confident | 149 Ų | 149 | 92.4 Ų | 92.4 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 174.8 | 175 | -105.2 | 0 | 0 | 0 | 112.8 | E1362 K1363 L1364 T1370 | E1362-Y1366 PolarHBondContact O-N 3.33Å; K1363-Y1366 WeakPolarHBondContact O-CB 3.48Å; K1363-Y1366 PolarHBondContact O-N 3.24Å; K1363-Y1366 VanDerWaalsContact O-N 3.15Å; L1364-Y1366 VanDerWaalsContact C-N 3.33Å; L1364-Y1366 PolarHBondContact O-N 2.94Å; Y1366-T1370 WeakPolarHBondContact O-CB 3.18Å; Y1366-T1370 PolarHBondContact O-N 3.07Å; Y1366-T1370 PolarHBondContact O-OG1 3.33Å |
| 1367 | F | 80.2 | Confident | 80.7 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 19% | 0.189 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -73.2 | -34.2 | 175.5 | -59.8 | -46.7 | 0 | 0 | 0 | 112.8 | K1363 L1364 A1365 T1370 I1371 I1517 E1521 | K1363-F1367 HydrophobicContact CB-CD2 4.46Å; K1363-F1367 HydrophobicContact CB-CE2 3.93Å; K1363-F1367 WeakPolarHBondContact O-CD2 3.4Å; K1363-F1367 WeakPolarHBondContact O-CG 3.3Å; K1363-F1367 PolarHBondContact O-N 3.11Å; L1364-F1367 PolarHBondContact O-N 3.17Å; L1364-F1367 VanDerWaalsContact O-N 3.12Å; A1365-F1367 VanDerWaalsContact C-N 3.35Å; A1365-F1367 PolarHBondContact O-N 3.42Å; F1367-T1370 PolarHBondContact O-N 3.04Å; F1367-I1371 WeakPolarHBondContact O-CB 3.18Å; F1367-I1371 WeakPolarHBondContact O-CD1 3.4Å; F1367-I1371 VanDerWaalsContact O-CG1 3.23Å; F1367-I1371 WeakPolarHBondContact O-CG1 3.28Å; F1367-I1371 PolarHBondContact O-N 3.31Å; F1367-I1517 HydrophobicContact CD1-CD1 4.03Å; F1367-I1517 HydrophobicContact CD1-CG2 3.86Å; F1367-I1517 HydrophobicContact CD2-CG2 3.57Å; F1367-I1517 HydrophobicContact CE1-CD1 3.93Å; F1367-I1517 HydrophobicContact CE1-CG2 3.64Å; F1367-I1517 HydrophobicContact CE2-CG2 3.33Å; F1367-I1517 HydrophobicContact CG-CG2 3.84Å; F1367-I1517 HydrophobicContact CZ-CG2 3.37Å; F1367-E1521 WeakPolarHBondContact CE2-OE2 3.43Å |
| 1368 | E | 80.5 | Confident | 80.7 | Confident | 132 Ų | 132 | 91.8 Ų | 91.8 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 173.1 | -73.1 | -179.6 | 168.4 | 0 | 0 | 112.3 | L1364 A1365 S1372 | L1364-E1368 WeakPolarHBondContact O-CG 3.21Å; L1364-E1368 PolarHBondContact O-N 3.02Å; A1365-E1368 PolarHBondContact O-N 3.03Å; E1368-S1372 VanDerWaalsContact O-CB 3.32Å; E1368-S1372 WeakPolarHBondContact O-CB 3.42Å; E1368-S1372 PolarHBondContact O-N 3.01Å; E1368-S1372 PolarHBondContact O-OG 2.99Å |
| 1369 | E | 83.6 | Confident | 80.7 | Confident | 137 Ų | 137 | 89.8 Ų | 89.8 | 64% | 0.64 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 171.3 | -176.5 | 168.8 | -143.2 | 0 | 0 | 111.2 | A1365 I1371 S1372 D1373 | A1365-E1369 PolarHBondContact O-N 3.02Å; E1369-I1371 PolarHBondContact O-N 3.22Å; E1369-S1372 WeakPolarHBondContact O-CB 3.42Å; E1369-S1372 PolarHBondContact O-N 3.38Å; E1369-D1373 PolarHBondContact O-N 3.11Å |
| 1370 | T | 82 | Confident | 80.8 | Confident | 44 Ų | 44 | 95.9 Ų | 95.9 | 27% | 0.27 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | Y1366 F1367 D1373 Y1374 | Y1366-T1370 WeakPolarHBondContact O-CB 3.18Å; Y1366-T1370 PolarHBondContact O-N 3.07Å; Y1366-T1370 PolarHBondContact O-OG1 3.33Å; F1367-T1370 PolarHBondContact O-N 3.04Å; T1370-D1373 PolarHBondContact O-N 2.91Å; T1370-Y1374 HydrophobicContact CG2-CD2 3.98Å; T1370-Y1374 HydrophobicContact CG2-CE2 3.75Å; T1370-Y1374 VanDerWaalsContact O-CD2 3.24Å; T1370-Y1374 WeakPolarHBondContact O-CD2 3.08Å; T1370-Y1374 PolarHBondContact O-N 3.06Å |
| 1371 | I | 77.9 | Confident | 80.6 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 175.4 | -70.7 | 164.6 | 0 | 0 | 0 | 110.4 | F1367 E1369 D1373 Y1374 D1375 | F1367-I1371 WeakPolarHBondContact O-CB 3.18Å; F1367-I1371 WeakPolarHBondContact O-CD1 3.4Å; F1367-I1371 VanDerWaalsContact O-CG1 3.23Å; F1367-I1371 WeakPolarHBondContact O-CG1 3.28Å; F1367-I1371 PolarHBondContact O-N 3.31Å; E1369-I1371 PolarHBondContact O-N 3.22Å; I1371-D1373 VanDerWaalsContact C-N 3.26Å; I1371-D1373 PolarHBondContact O-N 2.83Å; I1371-Y1374 PolarHBondContact O-N 3.08Å; I1371-Y1374 VanDerWaalsContact O-N 3.13Å; I1371-D1375 PolarHBondContact O-N 2.76Å |
| 1372 | S | 82.2 | Confident | 80.6 | Confident | 63 Ų | 63 | 102.1 Ų | 102.1 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -36.9 | 176.7 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | E1368 E1369 D1375 R1376 | E1368-S1372 VanDerWaalsContact O-CB 3.32Å; E1368-S1372 WeakPolarHBondContact O-CB 3.42Å; E1368-S1372 PolarHBondContact O-N 3.01Å; E1368-S1372 PolarHBondContact O-OG 2.99Å; E1369-S1372 WeakPolarHBondContact O-CB 3.42Å; E1369-S1372 PolarHBondContact O-N 3.38Å; S1372-D1375 PolarHBondContact O-N 2.94Å; S1372-R1376 WeakPolarHBondContact O-CD 3.28Å; S1372-R1376 VanDerWaalsContact O-CG 3.26Å; S1372-R1376 WeakPolarHBondContact O-CG 3.45Å; S1372-R1376 PolarHBondContact O-N 3.33Å |
| 1373 | D | 81.7 | Confident | 80.6 | Confident | 78 Ų | 78 | 101.2 Ų | 101.2 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -78.8 | -29 | 177.2 | -120.7 | 38.6 | 0 | 0 | 0 | 113 | E1369 T1370 I1371 R1376 Q1377 | E1369-D1373 PolarHBondContact O-N 3.11Å; T1370-D1373 PolarHBondContact O-N 2.91Å; I1371-D1373 VanDerWaalsContact C-N 3.26Å; I1371-D1373 PolarHBondContact O-N 2.83Å; D1373-R1376 WeakPolarHBondContact OD1-CD 3.4Å; D1373-R1376 IonicContact OD1-CZ 2.66Å; D1373-R1376 IonicContact OD1-NE 2.71Å; D1373-R1376 IonicContact OD1-NH1 3.63Å; D1373-R1376 PolarHBondContact OD1-NH1 3.36Å; D1373-Q1377 WeakPolarHBondContact O-CG 3.18Å; D1373-Q1377 PolarHBondContact O-N 3.47Å |
| 1374 | Y | 80.3 | Confident | 80.7 | Confident | 143 Ų | 143 | 103.9 Ų | 103.9 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 165.1 | -82.2 | -62.7 | 0 | 0 | 0 | 112.4 | T1370 I1371 R1376 Q1377 N1378 | T1370-Y1374 HydrophobicContact CG2-CD2 3.98Å; T1370-Y1374 HydrophobicContact CG2-CE2 3.75Å; T1370-Y1374 VanDerWaalsContact O-CD2 3.24Å; T1370-Y1374 WeakPolarHBondContact O-CD2 3.08Å; T1370-Y1374 PolarHBondContact O-N 3.06Å; I1371-Y1374 PolarHBondContact O-N 3.08Å; I1371-Y1374 VanDerWaalsContact O-N 3.13Å; Y1374-R1376 VanDerWaalsContact C-N 3.35Å; Y1374-R1376 PolarHBondContact O-N 3.46Å; Y1374-Q1377 CarbonylContact O-C 3.58Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.28Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.3Å; Y1374-Q1377 PolarHBondContact O-N 3.04Å; Y1374-Q1377 VanDerWaalsContact O-N 3.08Å; Y1374-N1378 PolarHBondContact O-N 3.33Å; Y1374-N1378 PolarHBondContact O-ND2 3.23Å |
| 1375 | D | 79.3 | Confident | 80.8 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.7 | -31 | 176.5 | -85.6 | -21.7 | 0 | 0 | 0 | 113.2 | I1371 S1372 Q1377 N1378 T1379 | I1371-D1375 PolarHBondContact O-N 2.76Å; S1372-D1375 PolarHBondContact O-N 2.94Å; D1375-Q1377 VanDerWaalsContact C-N 3.34Å; D1375-N1378 PolarHBondContact O-N 3.13Å; D1375-N1378 PolarHBondContact OD1-ND2 2.76Å; D1375-T1379 VanDerWaalsContact O-CB 3.26Å; D1375-T1379 WeakPolarHBondContact O-CB 3.48Å; D1375-T1379 PolarHBondContact O-N 2.72Å; D1375-T1379 PolarHBondContact O-OG1 3.01Å |
| 1376 | R | 82.9 | Confident | 80.8 | Confident | 153 Ų | 153 | 105.2 Ų | 105.2 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 166.4 | -73.9 | 162.4 | 171.9 | -173.5 | 2.8 | 112 | S1372 D1373 Y1374 R1380 | S1372-R1376 WeakPolarHBondContact O-CD 3.28Å; S1372-R1376 VanDerWaalsContact O-CG 3.26Å; S1372-R1376 WeakPolarHBondContact O-CG 3.45Å; S1372-R1376 PolarHBondContact O-N 3.33Å; D1373-R1376 WeakPolarHBondContact OD1-CD 3.4Å; D1373-R1376 IonicContact OD1-CZ 2.66Å; D1373-R1376 IonicContact OD1-NE 2.71Å; D1373-R1376 IonicContact OD1-NH1 3.63Å; D1373-R1376 PolarHBondContact OD1-NH1 3.36Å; Y1374-R1376 VanDerWaalsContact C-N 3.35Å; Y1374-R1376 PolarHBondContact O-N 3.46Å; R1376-R1380 VanDerWaalsContact O-CG 3.3Å; R1376-R1380 WeakPolarHBondContact O-CG 3.46Å; R1376-R1380 PolarHBondContact O-N 2.86Å; R1376-R1380 VanDerWaalsContact O-N 3.09Å |
| 1377 | Q | 82.6 | Confident | 80.6 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.7 | -46 | 173.6 | -73.2 | -177.3 | 62 | 0 | 0 | 112.1 | D1373 Y1374 D1375 T1379 R1380 L1381 | D1373-Q1377 WeakPolarHBondContact O-CG 3.18Å; D1373-Q1377 PolarHBondContact O-N 3.47Å; Y1374-Q1377 CarbonylContact O-C 3.58Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.28Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.3Å; Y1374-Q1377 PolarHBondContact O-N 3.04Å; Y1374-Q1377 VanDerWaalsContact O-N 3.08Å; D1375-Q1377 VanDerWaalsContact C-N 3.34Å; Q1377-T1379 VanDerWaalsContact C-N 3.28Å; Q1377-T1379 PolarHBondContact O-N 2.94Å; Q1377-R1380 WeakPolarHBondContact O-CB 3.38Å; Q1377-R1380 PolarHBondContact O-N 2.91Å; Q1377-R1380 VanDerWaalsContact O-N 3.15Å; Q1377-L1381 WeakPolarHBondContact O-CG 3.49Å; Q1377-L1381 PolarHBondContact O-N 3.27Å |
| 1378 | N | 75.8 | Confident | 80.4 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 175.1 | -73.8 | -30.7 | 0 | 0 | 0 | 111.5 | Y1374 D1375 L1381 K1382 | Y1374-N1378 PolarHBondContact O-N 3.33Å; Y1374-N1378 PolarHBondContact O-ND2 3.23Å; D1375-N1378 PolarHBondContact O-N 3.13Å; D1375-N1378 PolarHBondContact OD1-ND2 2.76Å; N1378-L1381 PolarHBondContact O-N 2.99Å; N1378-K1382 VanDerWaalsContact O-CB 3.22Å; N1378-K1382 WeakPolarHBondContact O-CB 3.34Å; N1378-K1382 PolarHBondContact O-N 3.49Å |
| 1379 | T | 82.1 | Confident | 79.9 | Confident | 79 Ų | 79 | 103.9 Ų | 103.9 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | D1375 Q1377 K1382 N1383 | D1375-T1379 VanDerWaalsContact O-CB 3.26Å; D1375-T1379 WeakPolarHBondContact O-CB 3.48Å; D1375-T1379 PolarHBondContact O-N 2.72Å; D1375-T1379 PolarHBondContact O-OG1 3.01Å; Q1377-T1379 VanDerWaalsContact C-N 3.28Å; Q1377-T1379 PolarHBondContact O-N 2.94Å; T1379-K1382 PolarHBondContact O-N 3.2Å; T1379-N1383 WeakPolarHBondContact O-CB 3.35Å; T1379-N1383 PolarHBondContact O-N 3.48Å; T1379-N1383 PolarHBondContact O-OD1 3.27Å |
| 1380 | R | 82.2 | Confident | 79.7 | Confident | 179 Ų | 179 | 102.4 Ų | 102.4 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 173.8 | -73 | 169.2 | -179.5 | 167.1 | 3.2 | 111.8 | R1376 Q1377 R1384 | R1376-R1380 VanDerWaalsContact O-CG 3.3Å; R1376-R1380 WeakPolarHBondContact O-CG 3.46Å; R1376-R1380 PolarHBondContact O-N 2.86Å; R1376-R1380 VanDerWaalsContact O-N 3.09Å; Q1377-R1380 WeakPolarHBondContact O-CB 3.38Å; Q1377-R1380 PolarHBondContact O-N 2.91Å; Q1377-R1380 VanDerWaalsContact O-N 3.15Å; R1380-R1384 WeakPolarHBondContact O-CB 3.45Å; R1380-R1384 PolarHBondContact O-N 3.49Å |
| 1381 | L | 78.1 | Confident | 79.4 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.7 | -70.5 | 171.3 | 0 | 0 | 0 | 111.9 | Q1377 N1378 R1384 I1385 | Q1377-L1381 WeakPolarHBondContact O-CG 3.49Å; Q1377-L1381 PolarHBondContact O-N 3.27Å; N1378-L1381 PolarHBondContact O-N 2.99Å; L1381-R1384 PolarHBondContact O-N 3.44Å; L1381-I1385 WeakPolarHBondContact O-CG1 3.27Å; L1381-I1385 PolarHBondContact O-N 2.82Å |
| 1382 | K | 80.5 | Confident | 78.9 | Confident | 154 Ų | 154 | 105.9 Ų | 105.9 | 67% | 0.67 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 178.2 | -163.2 | 171.4 | -172.5 | 175 | 0 | 111.5 | N1378 T1379 R1384 I1385 S1386 | N1378-K1382 VanDerWaalsContact O-CB 3.22Å; N1378-K1382 WeakPolarHBondContact O-CB 3.34Å; N1378-K1382 PolarHBondContact O-N 3.49Å; T1379-K1382 PolarHBondContact O-N 3.2Å; K1382-R1384 PolarHBondContact O-N 3.29Å; K1382-I1385 PolarHBondContact O-N 2.9Å; K1382-S1386 PolarHBondContact O-N 3.38Å; K1382-S1386 VanDerWaalsContact O-N 3.07Å; K1382-S1386 PolarHBondContact O-OG 2.84Å |
| 1383 | N | 81.5 | Confident | 78.6 | Confident | 97 Ų | 97 | 109 Ų | 109 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 172.2 | -70.2 | -8.1 | 0 | 0 | 0 | 111.5 | T1379 I1385 S1386 E1387 | T1379-N1383 WeakPolarHBondContact O-CB 3.35Å; T1379-N1383 PolarHBondContact O-N 3.48Å; T1379-N1383 PolarHBondContact O-OD1 3.27Å; N1383-I1385 VanDerWaalsContact C-N 3.33Å; N1383-I1385 PolarHBondContact O-N 3.36Å; N1383-S1386 PolarHBondContact O-N 3.39Å; N1383-S1386 VanDerWaalsContact O-N 3.15Å; N1383-E1387 PolarHBondContact O-N 2.81Å |
| 1384 | R | 83.1 | Confident | 78.2 | Confident | 127 Ų | 127 | 113.9 Ų | 113.9 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 178.4 | -172.4 | 56.5 | 176.7 | 166 | 8 | 112.9 | R1380 L1381 K1382 E1387 L1388 | R1380-R1384 WeakPolarHBondContact O-CB 3.45Å; R1380-R1384 PolarHBondContact O-N 3.49Å; L1381-R1384 PolarHBondContact O-N 3.44Å; K1382-R1384 PolarHBondContact O-N 3.29Å; R1384-E1387 WeakPolarHBondContact CD-OE2 3.3Å; R1384-E1387 IonicContact CZ-OE2 2.82Å; R1384-E1387 IonicContact NE-OE2 2.66Å; R1384-E1387 IonicContact NH1-OE2 2.67Å; R1384-E1387 PolarHBondContact NH1-OE2 3.26Å; R1384-E1387 PolarHBondContact O-N 3.38Å; R1384-L1388 HydrophobicContact CG-CD1 4.33Å; R1384-L1388 VanDerWaalsContact O-CG 3.28Å; R1384-L1388 WeakPolarHBondContact O-CG 3.39Å; R1384-L1388 PolarHBondContact O-N 2.8Å |
| 1385 | I | 76.9 | Confident | 77.3 | Confident | 95 Ų | 95 | 112.2 Ų | 112.2 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 172 | -70.6 | 163.5 | 0 | 0 | 0 | 110.3 | L1381 K1382 N1383 L1388 Q1389 | L1381-I1385 WeakPolarHBondContact O-CG1 3.27Å; L1381-I1385 PolarHBondContact O-N 2.82Å; K1382-I1385 PolarHBondContact O-N 2.9Å; N1383-I1385 VanDerWaalsContact C-N 3.33Å; N1383-I1385 PolarHBondContact O-N 3.36Å; I1385-L1388 PolarHBondContact O-N 2.67Å; I1385-Q1389 HydrophobicContact CG2-CG 4.43Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.3Å; I1385-Q1389 VanDerWaalsContact O-CG 3.27Å; I1385-Q1389 WeakPolarHBondContact O-CG 3.42Å; I1385-Q1389 PolarHBondContact O-N 3Å |
| 1386 | S | 80.8 | Confident | 76.4 | Confident | 56 Ų | 56 | 112.5 Ų | 112.5 | 39% | 0.392 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -35.8 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | K1382 N1383 Q1389 L1390 | K1382-S1386 PolarHBondContact O-N 3.38Å; K1382-S1386 VanDerWaalsContact O-N 3.07Å; K1382-S1386 PolarHBondContact O-OG 2.84Å; N1383-S1386 PolarHBondContact O-N 3.39Å; N1383-S1386 VanDerWaalsContact O-N 3.15Å; S1386-Q1389 PolarHBondContact O-N 2.85Å; S1386-L1390 WeakPolarHBondContact O-CG 3.48Å; S1386-L1390 PolarHBondContact O-N 2.93Å; S1386-L1390 VanDerWaalsContact O-N 3.07Å |
| 1387 | E | 78.8 | Confident | 75 | Confident | 101 Ų | 101 | 109.9 Ų | 109.9 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 169.8 | -72.3 | 177.5 | 168.2 | 0 | 0 | 111.3 | N1383 R1384 Q1389 L1390 E1391 | N1383-E1387 PolarHBondContact O-N 2.81Å; R1384-E1387 WeakPolarHBondContact CD-OE2 3.3Å; R1384-E1387 IonicContact CZ-OE2 2.82Å; R1384-E1387 IonicContact NE-OE2 2.66Å; R1384-E1387 IonicContact NH1-OE2 2.67Å; R1384-E1387 PolarHBondContact NH1-OE2 3.26Å; R1384-E1387 PolarHBondContact O-N 3.38Å; E1387-Q1389 VanDerWaalsContact C-N 3.32Å; E1387-Q1389 PolarHBondContact O-N 3.31Å; E1387-L1390 PolarHBondContact O-N 3.35Å; E1387-L1390 VanDerWaalsContact O-N 3.16Å; E1387-E1391 WeakPolarHBondContact O-CB 3.45Å; E1387-E1391 PolarHBondContact O-N 2.97Å |
| 1388 | L | 74.9 | Confident | 73.5 | Confident | 76 Ų | 76 | 111.1 Ų | 111.1 | 40% | 0.398 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -33.9 | -179.8 | -70.3 | 168.4 | 0 | 0 | 0 | 112.4 | R1384 I1385 E1391 L1392 | R1384-L1388 HydrophobicContact CG-CD1 4.33Å; R1384-L1388 VanDerWaalsContact O-CG 3.28Å; R1384-L1388 WeakPolarHBondContact O-CG 3.39Å; R1384-L1388 PolarHBondContact O-N 2.8Å; I1385-L1388 PolarHBondContact O-N 2.67Å; L1388-E1391 PolarHBondContact O-N 2.93Å; L1388-L1392 WeakPolarHBondContact O-CB 3.5Å; L1388-L1392 WeakPolarHBondContact O-CG 3.26Å; L1388-L1392 PolarHBondContact O-N 3.4Å |
| 1389 | Q | 70.9 | Confident | 72 | Confident | 119 Ų | 119 | 113.7 Ų | 113.7 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -40.2 | 172.5 | -75.4 | 170.5 | -17.5 | 0 | 0 | 112.3 | I1385 S1386 E1387 K1393 | I1385-Q1389 HydrophobicContact CG2-CG 4.43Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.3Å; I1385-Q1389 VanDerWaalsContact O-CG 3.27Å; I1385-Q1389 WeakPolarHBondContact O-CG 3.42Å; I1385-Q1389 PolarHBondContact O-N 3Å; S1386-Q1389 PolarHBondContact O-N 2.85Å; E1387-Q1389 VanDerWaalsContact C-N 3.32Å; E1387-Q1389 PolarHBondContact O-N 3.31Å; Q1389-K1393 WeakPolarHBondContact O-CB 3.24Å; Q1389-K1393 PolarHBondContact O-N 2.91Å |
| 1390 | L | 78.6 | Confident | 70 | Confident | 107 Ų | 107 | 116.8 Ų | 116.8 | 56% | 0.56 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.8 | -35.9 | 173.7 | -77.2 | 167.4 | 0 | 0 | 0 | 112.4 | S1386 E1387 K1393 R1394 | S1386-L1390 WeakPolarHBondContact O-CG 3.48Å; S1386-L1390 PolarHBondContact O-N 2.93Å; S1386-L1390 VanDerWaalsContact O-N 3.07Å; E1387-L1390 PolarHBondContact O-N 3.35Å; E1387-L1390 VanDerWaalsContact O-N 3.16Å; L1390-K1393 PolarHBondContact O-N 3.49Å; L1390-R1394 WeakPolarHBondContact O-CG 3.42Å; L1390-R1394 PolarHBondContact O-N 3.42Å |
| 1391 | E | 75.6 | Confident | 67.8 | Low | 105 Ų | 105 | 115 Ų | 115 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.3 | -43.9 | 177.7 | -167.2 | 156.3 | -125.4 | 0 | 0 | 111.6 | E1387 L1388 K1393 R1394 L1395 | E1387-E1391 WeakPolarHBondContact O-CB 3.45Å; E1387-E1391 PolarHBondContact O-N 2.97Å; L1388-E1391 PolarHBondContact O-N 2.93Å; E1391-K1393 PolarHBondContact O-N 3Å; E1391-R1394 PolarHBondContact O-N 2.79Å; E1391-L1395 WeakPolarHBondContact O-CG 3.37Å; E1391-L1395 PolarHBondContact O-N 2.63Å |
| 1392 | L | 68.5 | Low | 65.6 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 59% | 0.586 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.3 | -47.2 | 169.1 | -79.3 | 167.9 | 0 | 0 | 0 | 111.6 | L1388 R1394 L1395 T1396 | L1388-L1392 WeakPolarHBondContact O-CB 3.5Å; L1388-L1392 WeakPolarHBondContact O-CG 3.26Å; L1388-L1392 PolarHBondContact O-N 3.4Å; L1392-R1394 VanDerWaalsContact C-N 3.34Å; L1392-R1394 PolarHBondContact O-N 3Å; L1392-L1395 WeakPolarHBondContact O-CB 3.45Å; L1392-L1395 PolarHBondContact O-N 3.29Å; L1392-L1395 VanDerWaalsContact O-N 3.09Å; L1392-T1396 PolarHBondContact O-N 3.4Å; L1392-T1396 PolarHBondContact O-OG1 3.35Å |
| 1393 | K | 76.5 | Confident | 63.3 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.1 | -44.4 | 178 | -174.5 | 169.8 | -177.8 | 174 | 0 | 112.1 | Q1389 L1390 E1391 L1395 T1396 D1397 | Q1389-K1393 WeakPolarHBondContact O-CB 3.24Å; Q1389-K1393 PolarHBondContact O-N 2.91Å; L1390-K1393 PolarHBondContact O-N 3.49Å; E1391-K1393 PolarHBondContact O-N 3Å; K1393-L1395 VanDerWaalsContact C-N 3.3Å; K1393-L1395 PolarHBondContact O-N 3.03Å; K1393-T1396 PolarHBondContact O-N 3.49Å; K1393-D1397 VanDerWaalsContact O-CG 3.29Å; K1393-D1397 PolarHBondContact O-N 3.08Å |
| 1394 | R | 72 | Confident | 60.8 | Low | 180 Ų | 180 | 118.5 Ų | 118.5 | 68% | 0.679 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.4 | -33.8 | 174.8 | -75.5 | 172.7 | 173.7 | 174.2 | -0.3 | 113 | L1390 E1391 L1392 N1398 | L1390-R1394 WeakPolarHBondContact O-CG 3.42Å; L1390-R1394 PolarHBondContact O-N 3.42Å; E1391-R1394 PolarHBondContact O-N 2.79Å; L1392-R1394 VanDerWaalsContact C-N 3.34Å; L1392-R1394 PolarHBondContact O-N 3Å; R1394-N1398 WeakPolarHBondContact O-CB 3.37Å; R1394-N1398 PolarHBondContact O-N 2.72Å; R1394-N1398 PolarHBondContact O-ND2 3.35Å |
| 1395 | L | 61.8 | Low | 58.3 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.6 | -38.5 | 174.9 | -73.6 | 164.6 | 0 | 0 | 0 | 111.8 | E1391 L1392 K1393 N1399 | E1391-L1395 WeakPolarHBondContact O-CG 3.37Å; E1391-L1395 PolarHBondContact O-N 2.63Å; L1392-L1395 WeakPolarHBondContact O-CB 3.45Å; L1392-L1395 PolarHBondContact O-N 3.29Å; L1392-L1395 VanDerWaalsContact O-N 3.09Å; K1393-L1395 VanDerWaalsContact C-N 3.3Å; K1393-L1395 PolarHBondContact O-N 3.03Å; L1395-N1399 PolarHBondContact O-N 3.48Å |
| 1396 | T | 59.4 | Low | 56 | Low | 96 Ų | 96 | 123 Ų | 123 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.2 | -48.8 | 173.7 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | L1392 K1393 N1398 N1399 | L1392-T1396 PolarHBondContact O-N 3.4Å; L1392-T1396 PolarHBondContact O-OG1 3.35Å; K1393-T1396 PolarHBondContact O-N 3.49Å; T1396-N1398 VanDerWaalsContact C-N 3.3Å; T1396-N1398 PolarHBondContact O-N 3.42Å; T1396-N1399 PolarHBondContact O-N 2.73Å |
| 1397 | D | 53.9 | Low | 53.5 | Low | 99 Ų | 99 | 129 Ų | 129 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.2 | -33.8 | -177.3 | -69.2 | -25.4 | 0 | 0 | 0 | 112.5 | K1393 | K1393-D1397 VanDerWaalsContact O-CG 3.29Å; K1393-D1397 PolarHBondContact O-N 3.08Å |
| 1398 | N | 51.8 | Low | 51 | Low | 122 Ų | 122 | 133.2 Ų | 133.2 | 65% | 0.652 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81.1 | -20.6 | -178.1 | -78.6 | -50.9 | 0 | 0 | 0 | 114.9 | R1394 T1396 N1400 | R1394-N1398 WeakPolarHBondContact O-CB 3.37Å; R1394-N1398 PolarHBondContact O-N 2.72Å; R1394-N1398 PolarHBondContact O-ND2 3.35Å; T1396-N1398 VanDerWaalsContact C-N 3.3Å; T1396-N1398 PolarHBondContact O-N 3.42Å; N1398-N1400 PolarHBondContact O-N 2.86Å; N1398-N1400 VanDerWaalsContact O-N 3.15Å |
| 1399 | N | 43.3 | Very low | 49.2 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -1.7 | -170.8 | -109.9 | -13.5 | 0 | 0 | 0 | 115.1 | L1395 T1396 N1401 | L1395-N1399 PolarHBondContact O-N 3.48Å; T1396-N1399 PolarHBondContact O-N 2.73Å; N1399-N1401 VanDerWaalsContact C-N 3.34Å; N1399-N1401 PolarHBondContact O-N 2.89Å |
| 1400 | N | 41.7 | Very low | 47.4 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 2.6 | -179.5 | -77.4 | -50.4 | 0 | 0 | 0 | 114.7 | N1398 | N1398-N1400 PolarHBondContact O-N 2.86Å; N1398-N1400 VanDerWaalsContact O-N 3.15Å |
| 1401 | N | 35.8 | Very low | 45 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -122.1 | 134.9 | 179.6 | -74.4 | -68.4 | 0 | 0 | 0 | 113.3 | N1399 | N1399-N1401 VanDerWaalsContact C-N 3.34Å; N1399-N1401 PolarHBondContact O-N 2.89Å |
| 1402 | T | 31.6 | Very low | 42.9 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -65.5 | 158.7 | -171.8 | 48.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1403 | V | 31.4 | Very low | 41 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | trans | 100.3 | 109.8 | 154.3 | -178.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1404 | E | 28.8 | Very low | 38.7 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | 30.5 | 114.1 | 136.8 | -51.5 | -172.6 | 119.2 | 0 | 0 | 122.8 | ||||
| 1405 | A | 30.5 | Very low | 36.6 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | 85.3 | 150.2 | 121.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1406 | R | 30.3 | Very low | 35.4 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | 79.7 | 91.4 | 163.2 | -60.9 | 169.1 | -172.5 | -111 | -1.5 | 119 | ||||
| 1407 | H | 26.8 | Very low | 33.8 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | 22.4 | 114.1 | 111.1 | -59.5 | 74.4 | 0 | 0 | 0 | 117.3 | |||||
| 1408 | E | 27.5 | Very low | 32.7 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | 179.3 | 165.6 | 98 | -90.3 | -149.3 | 116.2 | 0 | 0 | 111.4 | |||||
| 1409 | P | 37.1 | Very low | 31.6 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -120.8 | -177.8 | -150 | 44.3 | -34.9 | 0 | 0 | 0 | 116.7 | ||||
| 1410 | I | 33 | Very low | 30.9 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 114.2 | 164.7 | -55 | 164 | 0 | 0 | 0 | 116.5 | ||||
| 1411 | K | 27 | Very low | 30.4 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | -159.9 | 134 | 121.6 | -113.1 | 162.3 | -171.2 | 171.7 | 0 | 114.9 | |||||
| 1412 | V | 32 | Very low | 30.1 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 137.4 | 163.9 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1413 | V | 28.8 | Very low | 30 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -141.6 | 126.8 | 152.1 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1414 | D | 27.8 | Very low | 29.8 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | trans | -84 | -168.4 | -179.1 | -58.6 | -88.4 | 0 | 0 | 0 | 113.5 | ||||
| 1415 | T | 29 | Very low | 30.1 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | 88.6 | 138 | 157.2 | 51.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1416 | P | 35.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -101 | 178.3 | -168.6 | 41.9 | -37.9 | 0 | 0 | 0 | 113.1 | ||||
| 1417 | L | 26.9 | Very low | 30.7 | Very low | 176 Ų | 176 | 140 Ų | 140 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -143.3 | 151.5 | 154.9 | -142.7 | 70.8 | 0 | 0 | 0 | 112.5 | ||||
| 1418 | T | 30.6 | Very low | 31 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -122.7 | 141.9 | -163.8 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1419 | T | 28.5 | Very low | 31.5 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -167.3 | 117.8 | 150.8 | 24.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1420 | S | 27.8 | Very low | 31.4 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | 63.3 | 122.7 | 69.3 | -160.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1421 | T | 32.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -141.6 | 139.5 | 48.4 | 43.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1422 | Q | 28.3 | Very low | 31.4 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | 58 | 140.1 | 92.8 | -60.2 | 177.6 | -63 | 0 | 0 | 115.6 | |||||
| 1423 | S | 29.1 | Very low | 31.3 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -148.7 | 127.6 | 27.2 | 174.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1424 | M | 28 | Very low | 31.3 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | 58.3 | 139.6 | 105.4 | -43.6 | -155 | 72.1 | 0 | 0 | 116.6 | |||||
| 1425 | V | 35.5 | Very low | 31.5 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | cis | -146.8 | 123.8 | 46.9 | 177.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1426 | S | 35.4 | Very low | 31.7 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | 58.1 | 139 | 91.6 | -36.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1427 | R | 37.4 | Very low | 31.3 | Very low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | cis | -154.7 | 177 | 30.3 | -74.7 | 178.4 | 177.2 | 156.5 | -2 | 109.8 | ||||
| 1428 | H | 34.6 | Very low | 31.5 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | cis | -170.2 | -167.3 | -34.7 | -166.6 | 49 | 0 | 0 | 0 | 107.6 | ||||
| 1429 | D | 36.6 | Very low | 31.5 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | 71.1 | 107.9 | 175.7 | -48.5 | -12.6 | 0 | 0 | 0 | 113.8 | ||||
| 1430 | V | 34.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | cis | 78.6 | 107.9 | 22.5 | -168.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1431 | D | 29.6 | Very low | 31.5 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | -170.9 | 163.2 | 109.4 | -128.6 | -27.7 | 0 | 0 | 0 | 117.6 | |||||
| 1432 | V | 31 | Very low | 31.4 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | 55.1 | 94.3 | 158.1 | -170.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1433 | Q | 29.2 | Very low | 31.4 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -41.7 | 151.9 | 145.8 | 168.8 | -175.7 | 7.1 | 0 | 0 | 118.3 | D1435 | Q1433-D1435 PolarHBondContact NE2-OD2 3.36Š| ||
| 1434 | C | 30 | Very low | 31.3 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 89% | 0.892 | 73% | 0.728 | S | S | * | * | trans | -152.9 | 124.8 | 148.2 | -99.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1435 | D | 32.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | trans | -97.8 | 126.2 | 179.8 | -63.4 | -104.7 | 0 | 0 | 0 | 114.6 | Q1433 | Q1433-D1435 PolarHBondContact NE2-OD2 3.36Š| ||
| 1436 | I | 32.1 | Very low | 31.1 | Very low | 162 Ų | 162 | 138 Ų | 138 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | trans | -145.4 | 106.4 | 150.5 | -50.9 | -179.8 | 0 | 0 | 0 | 106.8 | ||||
| 1437 | K | 28.3 | Very low | 30.8 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 74% | 0.739 | 74% | 0.737 | S | S | * | * | 78.4 | 147.3 | 52.7 | -69.3 | -173.4 | 175 | 171.4 | 0 | 115.6 | |||||
| 1438 | L | 30 | Very low | 30.3 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | 80.1 | 106.8 | 178.9 | -50.3 | 178.9 | 0 | 0 | 0 | 113.5 | ||||
| 1439 | N | 30.2 | Very low | 30.2 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | cis | 93.9 | 152.4 | 34 | -166.3 | 37.1 | 0 | 0 | 0 | 113.1 | ||||
| 1440 | E | 28.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | trans | 81.6 | 139.3 | 165.4 | -47.4 | -157.1 | -158.2 | 0 | 0 | 118.1 | ||||
| 1441 | N | 29.2 | Very low | 29.8 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | cis | -167.9 | 167.5 | -24.9 | -113.5 | -37.2 | 0 | 0 | 0 | 110.8 | ||||
| 1442 | N | 29.7 | Very low | 29.9 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | trans | 72.4 | 126.5 | 167.2 | -50 | -48.4 | 0 | 0 | 0 | 116.2 | ||||
| 1443 | A | 28.2 | Very low | 29.9 | Very low | 84 Ų | 84 | 132 Ų | 132 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | cis | 82.8 | 142 | 39.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1444 | L | 27.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 130 Ų | 130 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | cis | -158.2 | -178.8 | 10.1 | -156.8 | 74.2 | 0 | 0 | 0 | 110.7 | ||||
| 1445 | I | 31.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | 83.1 | 105 | 166.2 | -52.9 | 150.6 | 0 | 0 | 0 | 113.4 | ||||
| 1446 | N | 28.5 | Very low | 30 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | cis | 85.3 | 145.7 | 40.3 | -72.2 | -22.8 | 0 | 0 | 0 | 116.8 | ||||
| 1447 | T | 28.6 | Very low | 29.9 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 79.3 | 139.3 | 161.2 | 64.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1448 | T | 27.6 | Very low | 30 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | cis | -162.6 | 168.4 | -27.6 | -52.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1449 | T | 31.5 | Very low | 30 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | 85 | 149.7 | 155.8 | 66.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1450 | N | 31.2 | Very low | 29.9 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | cis | -173.7 | 155.4 | -43.7 | -128.7 | 3.1 | 0 | 0 | 0 | 110.4 | ||||
| 1451 | T | 31.1 | Very low | 29.8 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 63% | 0.632 | 74% | 0.738 | S | S | * | * | trans | 47 | 130 | 146.8 | 57.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1452 | N | 32.7 | Very low | 29.7 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | cis | 177.1 | 145.7 | 46.9 | -117.8 | -4.8 | 0 | 0 | 0 | 114.4 | ||||
| 1453 | I | 30 | Very low | 29.6 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | 74.3 | 133.9 | 134.2 | -66.9 | 168.6 | 0 | 0 | 0 | 121.8 | ||||
| 1454 | C | 30.4 | Very low | 29.4 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | trans | -87.7 | 179.3 | 175.1 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1455 | N | 30.4 | Very low | 29.6 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | 162.9 | 117.8 | 119.9 | -81.5 | -9.5 | 0 | 0 | 0 | 112.7 | |||||
| 1456 | H | 34.5 | Very low | 29.3 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | -174.1 | 145.7 | 111.6 | -112.2 | -78.7 | 0 | 0 | 0 | 112.6 | |||||
| 1457 | E | 28.9 | Very low | 29.5 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -113.4 | 161.7 | 179.3 | -56 | 161.1 | 119.8 | 0 | 0 | 111 | ||||
| 1458 | N | 31.5 | Very low | 29.5 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 148.2 | 142.9 | 124.3 | -80.3 | -65.1 | 0 | 0 | 0 | 115 | |||||
| 1459 | G | 29.2 | Very low | 29.4 | Very low | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 114.8 | 75.3 | 137 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1460 | T | 28.1 | Very low | 29.5 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | 50.5 | 118.2 | 138.1 | 45.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1461 | A | 26.5 | Very low | 29.3 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | 89.2 | 134.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1462 | S | 26.8 | Very low | 29.2 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 73.8 | 104 | 159.5 | -64.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1463 | S | 28 | Very low | 28.9 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 27.2 | 106.5 | 145.6 | -58.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1464 | T | 24.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 93% | 0.933 | 77% | 0.771 | S | S | * | * | -168.2 | 168.9 | 123.1 | 11.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1465 | K | 30.3 | Very low | 28.8 | Very low | 200 Ų | 200 | 134 Ų | 134 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | -70.4 | 134.8 | 176.9 | -67.4 | 175.1 | 175.5 | 176 | 0 | 112 | ||||
| 1466 | L | 25.1 | Very low | 28.7 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | -177.1 | -179 | 113.9 | -103.5 | 156.9 | 0 | 0 | 0 | 112.5 | |||||
| 1467 | C | 32.3 | Very low | 28.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -80.8 | -174.7 | -170.6 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1468 | S | 28.4 | Very low | 28.4 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 81.1 | 140.8 | 180 | 79.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1469 | E | 27.4 | Very low | 28.2 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | cis | -160.1 | 168.4 | -9.2 | -120.9 | 175.1 | 179.6 | 0 | 0 | 111.8 | ||||
| 1470 | V | 32.8 | Very low | 28.3 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 58% | 0.576 | 74% | 0.743 | S | S | * | * | trans | 31.7 | 112.7 | 151 | -179.1 | 0 | 0 | 0 | 0 | 118.9 | N1472 | V1470-N1472 HydrophobicContact CG1-CB 4.46Š| ||
| 1471 | N | 27.5 | Very low | 28.5 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | -155.1 | 140.2 | 116 | -95.9 | -40.5 | 0 | 0 | 0 | 108.7 | |||||
| 1472 | N | 28 | Very low | 28.8 | Very low | 97 Ų | 97 | 132 Ų | 132 | 52% | 0.519 | 73% | 0.725 | S | S | . | * | cis | 169.6 | 133.9 | -18.4 | -132.4 | -30 | 0 | 0 | 0 | 102.2 | V1470 | V1470-N1472 HydrophobicContact CG1-CB 4.46Š| ||
| 1473 | N | 27.4 | Very low | 29.4 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | 64.2 | 149.4 | 161.6 | -53.4 | -40.3 | 0 | 0 | 0 | 115.7 | ||||
| 1474 | T | 28.4 | Very low | 30.4 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | cis | -148.3 | 147.6 | 9.3 | -2.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1475 | H | 28.7 | Very low | 31.5 | Very low | 136 Ų | 136 | 130 Ų | 130 | 63% | 0.63 | 68% | 0.682 | S | S | * | * | 48.8 | 113.8 | 89.5 | -149.2 | 23.2 | 0 | 0 | 0 | 109.9 | |||||
| 1476 | L | 29 | Very low | 32.4 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | -158 | 138.7 | 68.4 | -81.4 | 150.2 | 0 | 0 | 0 | 108.4 | |||||
| 1477 | Q | 27.5 | Very low | 33.9 | Very low | 153 Ų | 153 | 120.6 Ų | 120.6 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | 48.4 | 133.2 | 98.3 | -62.3 | 179.8 | -16.2 | 0 | 0 | 115.1 | |||||
| 1478 | S | 28.7 | Very low | 34.9 | Very low | 89 Ų | 89 | 120.6 Ų | 120.6 | 62% | 0.622 | 63% | 0.625 | S | S | * | * | cis | -169 | 174.9 | -11.8 | 53.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1479 | N | 28.2 | Very low | 36.1 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 71% | 0.711 | 60% | 0.601 | S | S | * | * | trans | 73.7 | 151.2 | 174.6 | -40.7 | 12.4 | 0 | 0 | 0 | 113.9 | ||||
| 1480 | D | 30.3 | Very low | 37.5 | Very low | 124 Ų | 124 | 116.4 Ų | 116.4 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | cis | -163.5 | 170.9 | -33.5 | -89.2 | -39.1 | 0 | 0 | 0 | 106.1 | H1482 | D1480-H1482 PolarHBondContact O-N 3.07Š| ||
| 1481 | E | 33.3 | Very low | 39.1 | Very low | 166 Ų | 166 | 115.8 Ų | 115.8 | 78% | 0.776 | 58% | 0.581 | S | S | * | * | trans | 64.5 | 29.5 | 164.2 | -47.1 | -166 | 142.2 | 0 | 0 | 120.1 | ||||
| 1482 | H | 32.9 | Very low | 40.5 | Very low | 112 Ų | 112 | 112.8 Ų | 112.8 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | trans | -117.6 | 17.1 | -173 | -83.6 | 5.2 | 0 | 0 | 0 | 119.6 | D1480 W1485 Y1511 | D1480-H1482 PolarHBondContact O-N 3.07Å; H1482-W1485 PolarHBondContact O-NE1 3.45Å; H1482-Y1511 AromaticContact CD2-CE1 3.87Å; H1482-Y1511 PolarHBondContact CE1-OH 2.66Å; H1482-Y1511 AromaticContact NE2-CE1 3.73Å; H1482-Y1511 PolarHBondContact NE2-OH 3.11Å | ||
| 1483 | D | 39.7 | Very low | 42 | Very low | 147 Ų | 147 | 113.1 Ų | 113.1 | 79% | 0.786 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -108.8 | -17.3 | 162.4 | -75.1 | -58.3 | 0 | 0 | 0 | 113.6 | W1485 | D1483-W1485 PolarHBondContact O-N 3.26Š|
| 1484 | D | 47.3 | Very low | 43.8 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 43% | 0.433 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -76.5 | -6.9 | 178.1 | -172.7 | 51.9 | 0 | 0 | 0 | 113.1 | K1488 | D1484-K1488 WeakPolarHBondContact O-CB 3.39Å; D1484-K1488 WeakPolarHBondContact O-CG 3.37Å; D1484-K1488 PolarHBondContact O-N 2.76Å; D1484-K1488 WeakPolarHBondContact OD2-CD 3.05Å; D1484-K1488 WeakPolarHBondContact OD2-CE 3.45Å; D1484-K1488 IonicContact OD2-NZ 3.94Å; D1484-K1488 PolarHBondContact OD2-NZ 2.93Å |
| 1485 | W | 47.2 | Very low | 45.5 | Very low | 118 Ų | 118 | 114.6 Ų | 114.6 | 45% | 0.447 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.1 | -30.3 | 177.3 | 79.6 | -89.6 | 0 | 0 | 0 | 112.7 | H1482 D1483 E1487 V1489 | H1482-W1485 PolarHBondContact O-NE1 3.45Å; D1483-W1485 PolarHBondContact O-N 3.26Å; W1485-E1487 VanDerWaalsContact C-N 3.35Å; W1485-V1489 HydrophobicContact CE3-CG2 3.99Å; W1485-V1489 HydrophobicContact CZ3-CG2 4.45Å; W1485-V1489 VanDerWaalsContact O-CB 3.3Å; W1485-V1489 WeakPolarHBondContact O-CB 3.39Å; W1485-V1489 VanDerWaalsContact O-CG2 3.28Å; W1485-V1489 WeakPolarHBondContact O-CG2 3.32Å; W1485-V1489 PolarHBondContact O-N 3.38Å |
| 1486 | I | 49.3 | Very low | 46.8 | Very low | 82 Ų | 82 | 110 Ų | 110 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 175.9 | -63.5 | 179.6 | 0 | 0 | 0 | 109.6 | R1490 | I1486-R1490 WeakPolarHBondContact O-CB 3.36Å; I1486-R1490 WeakPolarHBondContact O-CD 3.23Å; I1486-R1490 VanDerWaalsContact O-CG 3.23Å; I1486-R1490 WeakPolarHBondContact O-CG 3.5Å; I1486-R1490 PolarHBondContact O-N 3.18Å |
| 1487 | E | 57.5 | Low | 48.1 | Very low | 84 Ų | 84 | 112.6 Ų | 112.6 | 39% | 0.393 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.2 | -40.5 | 175.3 | -170.9 | 54.6 | -154.5 | 0 | 0 | 111.6 | W1485 V1489 R1490 Q1491 | W1485-E1487 VanDerWaalsContact C-N 3.35Å; E1487-V1489 PolarHBondContact O-N 2.96Å; E1487-R1490 CarbonylContact O-C 3.57Å; E1487-R1490 WeakPolarHBondContact O-CB 3.24Å; E1487-R1490 PolarHBondContact O-N 2.64Å; E1487-R1490 VanDerWaalsContact O-N 3.14Å; E1487-R1490 VanDerWaalsContact OE2-CD 3.31Å; E1487-R1490 WeakPolarHBondContact OE2-CD 3.4Å; E1487-Q1491 HydrophobicContact CG-CG 4.28Å; E1487-Q1491 WeakPolarHBondContact O-CB 3.42Å; E1487-Q1491 WeakPolarHBondContact O-CG 3.32Å; E1487-Q1491 PolarHBondContact O-N 3.48Å; E1487-Q1491 PolarHBondContact OE1-NE2 3Å |
| 1488 | K | 54.3 | Low | 49.4 | Very low | 110 Ų | 110 | 107.7 Ų | 107.7 | 48% | 0.478 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 170.9 | -81.4 | 169.2 | 170.5 | 138.5 | 0 | 112.8 | D1484 Q1491 E1492 | D1484-K1488 WeakPolarHBondContact O-CB 3.39Å; D1484-K1488 WeakPolarHBondContact O-CG 3.37Å; D1484-K1488 PolarHBondContact O-N 2.76Å; D1484-K1488 WeakPolarHBondContact OD2-CD 3.05Å; D1484-K1488 WeakPolarHBondContact OD2-CE 3.45Å; D1484-K1488 IonicContact OD2-NZ 3.94Å; D1484-K1488 PolarHBondContact OD2-NZ 2.93Å; K1488-Q1491 PolarHBondContact O-N 2.96Å; K1488-E1492 WeakPolarHBondContact O-CB 3.48Å; K1488-E1492 WeakPolarHBondContact O-CG 3.41Å; K1488-E1492 PolarHBondContact O-N 3.3Å |
| 1489 | V | 52.6 | Low | 50.5 | Low | 38 Ų | 38 | 108 Ų | 108 | 23% | 0.23 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 175.1 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | W1485 E1487 I1493 L1506 | W1485-V1489 HydrophobicContact CE3-CG2 3.99Å; W1485-V1489 HydrophobicContact CZ3-CG2 4.45Å; W1485-V1489 VanDerWaalsContact O-CB 3.3Å; W1485-V1489 WeakPolarHBondContact O-CB 3.39Å; W1485-V1489 VanDerWaalsContact O-CG2 3.28Å; W1485-V1489 WeakPolarHBondContact O-CG2 3.32Å; W1485-V1489 PolarHBondContact O-N 3.38Å; E1487-V1489 PolarHBondContact O-N 2.96Å; V1489-I1493 HydrophobicContact CG1-CD1 3.69Å; V1489-I1493 HydrophobicContact CG1-CG1 4.4Å; V1489-I1493 VanDerWaalsContact O-CB 3.28Å; V1489-I1493 WeakPolarHBondContact O-CB 3.32Å; V1489-I1493 WeakPolarHBondContact O-CD1 3.28Å; V1489-I1493 WeakPolarHBondContact O-CG1 3.47Å; V1489-I1493 PolarHBondContact O-N 2.79Å; V1489-L1506 HydrophobicContact CG2-CD2 4.12Å |
| 1490 | R | 57.8 | Low | 51.8 | Low | 151 Ų | 151 | 107.8 Ų | 107.8 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 170 | -75.1 | 164.3 | 179.2 | -108.1 | -2.5 | 112 | I1486 E1487 I1493 L1494 | I1486-R1490 WeakPolarHBondContact O-CB 3.36Å; I1486-R1490 WeakPolarHBondContact O-CD 3.23Å; I1486-R1490 VanDerWaalsContact O-CG 3.23Å; I1486-R1490 WeakPolarHBondContact O-CG 3.5Å; I1486-R1490 PolarHBondContact O-N 3.18Å; E1487-R1490 CarbonylContact O-C 3.57Å; E1487-R1490 WeakPolarHBondContact O-CB 3.24Å; E1487-R1490 PolarHBondContact O-N 2.64Å; E1487-R1490 VanDerWaalsContact O-N 3.14Å; E1487-R1490 VanDerWaalsContact OE2-CD 3.31Å; E1487-R1490 WeakPolarHBondContact OE2-CD 3.4Å; R1490-I1493 PolarHBondContact O-N 2.83Å; R1490-L1494 VanDerWaalsContact O-CB 3.28Å; R1490-L1494 WeakPolarHBondContact O-CB 3.48Å; R1490-L1494 WeakPolarHBondContact O-CD1 3.47Å; R1490-L1494 WeakPolarHBondContact O-CG 3.23Å; R1490-L1494 PolarHBondContact O-N 3.46Å |
| 1491 | Q | 65.1 | Low | 53.3 | Low | 82 Ų | 82 | 105.5 Ų | 105.5 | 38% | 0.383 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 178.9 | -68 | -72.5 | -29.5 | 0 | 0 | 111.8 | E1487 K1488 L1494 Q1495 | E1487-Q1491 HydrophobicContact CG-CG 4.28Å; E1487-Q1491 WeakPolarHBondContact O-CB 3.42Å; E1487-Q1491 WeakPolarHBondContact O-CG 3.32Å; E1487-Q1491 PolarHBondContact O-N 3.48Å; E1487-Q1491 PolarHBondContact OE1-NE2 3Å; K1488-Q1491 PolarHBondContact O-N 2.96Å; Q1491-L1494 CarbonylContact O-C 3.56Å; Q1491-L1494 PolarHBondContact O-N 3.24Å; Q1491-Q1495 VanDerWaalsContact O-CB 3.28Å; Q1491-Q1495 WeakPolarHBondContact O-CB 3.44Å; Q1491-Q1495 WeakPolarHBondContact O-CG 3.46Å; Q1491-Q1495 PolarHBondContact O-N 2.94Å |
| 1492 | E | 57.9 | Low | 54.2 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 174.9 | -74.5 | -177.2 | 172.1 | 0 | 0 | 111.7 | K1488 Q1495 S1496 L1502 | K1488-E1492 WeakPolarHBondContact O-CB 3.48Å; K1488-E1492 WeakPolarHBondContact O-CG 3.41Å; K1488-E1492 PolarHBondContact O-N 3.3Å; E1492-Q1495 PolarHBondContact O-N 2.79Å; E1492-S1496 VanDerWaalsContact O-CB 3.23Å; E1492-S1496 WeakPolarHBondContact O-CB 3.37Å; E1492-S1496 PolarHBondContact O-N 3.35Å; E1492-S1496 PolarHBondContact O-OG 2.94Å; E1492-L1502 HydrophobicContact CB-CD2 4.38Å |
| 1493 | I | 58.1 | Low | 54.8 | Low | 103 Ų | 103 | 100.7 Ų | 100.7 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 171.1 | -71.3 | 167.7 | 0 | 0 | 0 | 111.2 | V1489 R1490 Q1495 L1502 | V1489-I1493 HydrophobicContact CG1-CD1 3.69Å; V1489-I1493 HydrophobicContact CG1-CG1 4.4Å; V1489-I1493 VanDerWaalsContact O-CB 3.28Å; V1489-I1493 WeakPolarHBondContact O-CB 3.32Å; V1489-I1493 WeakPolarHBondContact O-CD1 3.28Å; V1489-I1493 WeakPolarHBondContact O-CG1 3.47Å; V1489-I1493 PolarHBondContact O-N 2.79Å; R1490-I1493 PolarHBondContact O-N 2.83Å; I1493-Q1495 VanDerWaalsContact C-N 3.26Å; I1493-Q1495 PolarHBondContact O-N 3.45Å; I1493-L1502 HydrophobicContact CG1-CD1 4.49Å |
| 1494 | L | 65.8 | Low | 55.1 | Low | 136 Ų | 136 | 97.8 Ų | 97.8 | 71% | 0.712 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.2 | -16.7 | 175.1 | -82.4 | 161.4 | 0 | 0 | 0 | 113.9 | R1490 Q1491 | R1490-L1494 VanDerWaalsContact O-CB 3.28Å; R1490-L1494 WeakPolarHBondContact O-CB 3.48Å; R1490-L1494 WeakPolarHBondContact O-CD1 3.47Å; R1490-L1494 WeakPolarHBondContact O-CG 3.23Å; R1490-L1494 PolarHBondContact O-N 3.46Å; Q1491-L1494 CarbonylContact O-C 3.56Å; Q1491-L1494 PolarHBondContact O-N 3.24Å |
| 1495 | Q | 65 | Low | 55 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 67% | 0.673 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -109.9 | -4.3 | -179 | -69.3 | 173.8 | 46.2 | 0 | 0 | 113.7 | Q1491 E1492 I1493 | Q1491-Q1495 VanDerWaalsContact O-CB 3.28Å; Q1491-Q1495 WeakPolarHBondContact O-CB 3.44Å; Q1491-Q1495 WeakPolarHBondContact O-CG 3.46Å; Q1491-Q1495 PolarHBondContact O-N 2.94Å; E1492-Q1495 PolarHBondContact O-N 2.79Å; I1493-Q1495 VanDerWaalsContact C-N 3.26Å; I1493-Q1495 PolarHBondContact O-N 3.45Å |
| 1496 | S | 56 | Low | 55 | Low | 40 Ų | 40 | 95.2 Ų | 95.2 | 28% | 0.28 | 50% | 0.498 | S | S | . | . | trans | -97.6 | 115.9 | -178.5 | -66 | 0 | 0 | 0 | 0 | 112.3 | E1492 S1498 | E1492-S1496 VanDerWaalsContact O-CB 3.23Å; E1492-S1496 WeakPolarHBondContact O-CB 3.37Å; E1492-S1496 PolarHBondContact O-N 3.35Å; E1492-S1496 PolarHBondContact O-OG 2.94Å; S1496-S1498 PolarHBondContact O-N 2.9Å; S1496-S1498 VanDerWaalsContact O-N 3.11Å | ||
| 1497 | D | 54.6 | Low | 54.7 | Low | 179 Ų | 179 | 100.2 Ų | 100.2 | 96% | 0.957 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -62.3 | -16.2 | 176.2 | -66.6 | -40.7 | 0 | 0 | 0 | 114.1 | ||
| 1498 | S | 55.2 | Low | 54.2 | Low | 51 Ų | 51 | 104.7 Ų | 104.7 | 36% | 0.357 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -154.3 | 146.2 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | S1496 D1500 S1501 | S1496-S1498 PolarHBondContact O-N 2.9Å; S1496-S1498 VanDerWaalsContact O-N 3.11Å; S1498-D1500 PolarHBondContact O-N 3.22Å; S1498-D1500 PolarHBondContact OG-N 2.9Å; S1498-S1501 WeakPolarHBondContact O-CB 3.44Å; S1498-S1501 PolarHBondContact O-N 3.09Å; S1498-S1501 PolarHBondContact O-OG 3.35Å |
| 1499 | I | 53.2 | Low | 53.1 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -62.9 | -23.6 | 177.6 | -157.6 | 166.4 | 0 | 0 | 0 | 113.2 | S1501 L1502 | I1499-S1501 PolarHBondContact O-N 3.32Å; I1499-L1502 HydrophobicContact CG1-CD1 4.05Å |
| 1500 | D | 55 | Low | 52.3 | Low | 129 Ų | 129 | 113 Ų | 113 | 69% | 0.69 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -71.4 | -12.8 | 172.8 | -69.1 | -50.4 | 0 | 0 | 0 | 113.5 | S1498 L1502 | S1498-D1500 PolarHBondContact O-N 3.22Å; S1498-D1500 PolarHBondContact OG-N 2.9Å; D1500-L1502 VanDerWaalsContact C-N 3.32Å |
| 1501 | S | 61.1 | Low | 51.3 | Low | 77 Ų | 77 | 112.4 Ų | 112.4 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -81.9 | -11 | -179.7 | -39.1 | 0 | 0 | 0 | 0 | 113.1 | S1498 I1499 | S1498-S1501 WeakPolarHBondContact O-CB 3.44Å; S1498-S1501 PolarHBondContact O-N 3.09Å; S1498-S1501 PolarHBondContact O-OG 3.35Å; I1499-S1501 PolarHBondContact O-N 3.32Å |
| 1502 | L | 51.8 | Low | 50.1 | Low | 41 Ų | 41 | 113.8 Ų | 113.8 | 22% | 0.215 | 58% | 0.583 | C | S | . | * | S | Bend | trans | -69.4 | 131.1 | -177.3 | -69.4 | 171.1 | 0 | 0 | 0 | 111.5 | E1492 I1493 I1499 D1500 L1506 | E1492-L1502 HydrophobicContact CB-CD2 4.38Å; I1493-L1502 HydrophobicContact CG1-CD1 4.49Å; I1499-L1502 HydrophobicContact CG1-CD1 4.05Å; D1500-L1502 VanDerWaalsContact C-N 3.32Å; L1502-L1506 HydrophobicContact CB-CD1 4.34Å; L1502-L1506 HydrophobicContact CD2-CD1 4.44Å |
| 1503 | H | 46.7 | Very low | 49.3 | Very low | 135 Ų | 135 | 116 Ų | 116 | 63% | 0.625 | 60% | 0.603 | S | S | * | * | trans | -65.6 | 139.5 | -165 | -162.4 | -106.1 | 0 | 0 | 0 | 112.9 | A1505 L1506 | H1503-A1505 PolarHBondContact O-N 2.88Å; H1503-L1506 PolarHBondContact O-N 3.15Å; H1503-L1506 VanDerWaalsContact O-N 3.11Å | ||
| 1504 | P | 46.7 | Very low | 48.4 | Very low | 86 Ų | 86 | 116.1 Ų | 116.1 | 56% | 0.558 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -55.5 | -21.2 | -173.3 | -29.8 | 36.2 | 0 | 0 | 0 | 116.6 | L1506 R1507 | P1504-L1506 VanDerWaalsContact C-N 3.25Å; P1504-L1506 PolarHBondContact O-N 2.82Å; P1504-R1507 PolarHBondContact O-N 3.5Å |
| 1505 | A | 44.9 | Very low | 47.3 | Very low | 57 Ų | 57 | 113.7 Ų | 113.7 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -56.5 | -36.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | H1503 R1507 Q1508 | H1503-A1505 PolarHBondContact O-N 2.88Å; A1505-R1507 PolarHBondContact O-N 2.96Å; A1505-R1507 VanDerWaalsContact O-N 3.08Å; A1505-Q1508 PolarHBondContact O-N 3.44Å |
| 1506 | L | 45.8 | Very low | 46.5 | Very low | 89 Ų | 89 | 110.2 Ų | 110.2 | 47% | 0.466 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -62.9 | -14.9 | 177.7 | -71.9 | 169.4 | 0 | 0 | 0 | 113.4 | V1489 L1502 H1503 P1504 | V1489-L1506 HydrophobicContact CG2-CD2 4.12Å; L1502-L1506 HydrophobicContact CB-CD1 4.34Å; L1502-L1506 HydrophobicContact CD2-CD1 4.44Å; H1503-L1506 PolarHBondContact O-N 3.15Å; H1503-L1506 VanDerWaalsContact O-N 3.11Å; P1504-L1506 VanDerWaalsContact C-N 3.25Å; P1504-L1506 PolarHBondContact O-N 2.82Å |
| 1507 | R | 44 | Very low | 46.5 | Very low | 187 Ų | 187 | 112.7 Ų | 112.7 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -95.4 | -1.7 | -179.5 | -55.8 | -169.2 | -173.9 | -152.7 | 2.9 | 114.2 | P1504 A1505 | P1504-R1507 PolarHBondContact O-N 3.5Å; A1505-R1507 PolarHBondContact O-N 2.96Å; A1505-R1507 VanDerWaalsContact O-N 3.08Å |
| 1508 | Q | 45.8 | Very low | 46.8 | Very low | 177 Ų | 177 | 113 Ų | 113 | 83% | 0.827 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.5 | -9.4 | -166.2 | -66.6 | -170.2 | -17.1 | 0 | 0 | 117.9 | A1505 | A1505-Q1508 PolarHBondContact O-N 3.44Š|
| 1509 | S | 32.1 | Very low | 47 | Very low | 77 Ų | 77 | 114.5 Ų | 114.5 | 54% | 0.538 | 60% | 0.595 | S | S | . | * | trans | -106.9 | 104.1 | -172.2 | 62.1 | 0 | 0 | 0 | 0 | 115.7 | Y1511 | S1509-Y1511 WeakPolarHBondContact O-CD2 3.18Å; S1509-Y1511 PolarHBondContact O-N 3.31Å | ||
| 1510 | R | 36.2 | Very low | 47.6 | Very low | 245 Ų | 245 | 116 Ų | 116 | 93% | 0.925 | 60% | 0.596 | S | S | * | * | trans | -4 | 103.1 | 157.1 | -57.5 | 176.1 | -177.3 | -176.8 | -0.1 | 117.8 | ||||
| 1511 | Y | 37 | Very low | 48.3 | Very low | 139 Ų | 139 | 111.2 Ų | 111.2 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | trans | -128.8 | 137.8 | 151.6 | -72.3 | -85.3 | 0 | 0 | 0 | 109.4 | H1482 S1509 | H1482-Y1511 AromaticContact CD2-CE1 3.87Å; H1482-Y1511 PolarHBondContact CE1-OH 2.66Å; H1482-Y1511 AromaticContact NE2-CE1 3.73Å; H1482-Y1511 PolarHBondContact NE2-OH 3.11Å; S1509-Y1511 WeakPolarHBondContact O-CD2 3.18Å; S1509-Y1511 PolarHBondContact O-N 3.31Å | ||
| 1512 | P | 38.6 | Very low | 48.8 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | trans | -92.7 | 142.4 | -174.7 | 34.5 | -33 | 0 | 0 | 0 | 113.6 | ||||
| 1513 | T | 41.1 | Very low | 49.8 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 85% | 0.847 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 60.9 | 133.8 | 166.4 | 49.7 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1514 | S | 39.7 | Very low | 51 | Low | 106 Ų | 106 | 110 Ų | 110 | 74% | 0.741 | 57% | 0.566 | S | S | * | * | cis | -155.6 | 84.8 | -11.2 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1515 | V | 42 | Very low | 52.4 | Low | 84 Ų | 84 | 109.3 Ų | 109.3 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -104.9 | 121.7 | 151.4 | -178.5 | 0 | 0 | 0 | 0 | 105.5 | D1519 L1523 | V1515-D1519 HydrophobicContact CG1-CB 3.73Å; V1515-L1523 HydrophobicContact CG1-CD1 4.44Å |
| 1516 | P | 48.3 | Very low | 54 | Low | 72 Ų | 72 | 111.8 Ų | 111.8 | 47% | 0.468 | 56% | 0.558 | S | S | . | * | trans | -51.6 | 143.4 | 171.7 | -27.7 | 35.7 | 0 | 0 | 0 | 110.5 | R1518 D1519 Y1520 | P1516-R1518 PolarHBondContact O-N 3.2Å; P1516-D1519 HydrophobicContact CB-CB 4.2Å; P1516-D1519 VanDerWaalsContact CD-OD2 3.27Å; P1516-D1519 WeakPolarHBondContact CD-OD2 3.14Å; P1516-D1519 HydrophobicContact CG-CB 4.43Å; P1516-D1519 VanDerWaalsContact CG-OD2 3.26Å; P1516-D1519 WeakPolarHBondContact CG-OD2 3.34Å; P1516-D1519 WeakPolarHBondContact O-CA 3.33Å; P1516-D1519 WeakPolarHBondContact O-CB 3.46Å; P1516-D1519 PolarHBondContact O-N 3.37Å; P1516-Y1520 PolarHBondContact O-N 3.21Å | ||
| 1517 | I | 57 | Low | 55.5 | Low | 92 Ų | 92 | 111.8 Ų | 111.8 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.1 | -40.6 | -177.9 | -88.1 | 171.1 | 0 | 0 | 0 | 111.4 | F1367 D1519 Y1520 E1521 | F1367-I1517 HydrophobicContact CD1-CD1 4.03Å; F1367-I1517 HydrophobicContact CD1-CG2 3.86Å; F1367-I1517 HydrophobicContact CD2-CG2 3.57Å; F1367-I1517 HydrophobicContact CE1-CD1 3.93Å; F1367-I1517 HydrophobicContact CE1-CG2 3.64Å; F1367-I1517 HydrophobicContact CE2-CG2 3.33Å; F1367-I1517 HydrophobicContact CG-CG2 3.84Å; F1367-I1517 HydrophobicContact CZ-CG2 3.37Å; I1517-D1519 VanDerWaalsContact C-N 3.3Å; I1517-D1519 PolarHBondContact O-N 2.87Å; I1517-Y1520 PolarHBondContact O-N 3.44Å; I1517-E1521 WeakPolarHBondContact O-CG 3.47Å; I1517-E1521 PolarHBondContact O-N 2.87Å |
| 1518 | R | 60.1 | Low | 57.1 | Low | 184 Ų | 184 | 106.3 Ų | 106.3 | 69% | 0.694 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.7 | -37 | 172.7 | -84.5 | -169.2 | -86.4 | -167 | -8.3 | 113.6 | L1364 P1516 E1521 A1522 | L1364-R1518 HydrophobicContact CD2-CG 4.31Å; P1516-R1518 PolarHBondContact O-N 3.2Å; R1518-E1521 PolarHBondContact O-N 2.84Å; R1518-A1522 VanDerWaalsContact O-CB 3.29Å; R1518-A1522 WeakPolarHBondContact O-CB 3.26Å; R1518-A1522 PolarHBondContact O-N 3.31Å |
| 1519 | D | 59.7 | Low | 58.7 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -77.6 | -32.5 | -179.5 | -58.4 | 3.5 | 0 | 0 | 0 | 110.9 | V1515 P1516 I1517 L1523 | V1515-D1519 HydrophobicContact CG1-CB 3.73Å; P1516-D1519 HydrophobicContact CB-CB 4.2Å; P1516-D1519 VanDerWaalsContact CD-OD2 3.27Å; P1516-D1519 WeakPolarHBondContact CD-OD2 3.14Å; P1516-D1519 HydrophobicContact CG-CB 4.43Å; P1516-D1519 VanDerWaalsContact CG-OD2 3.26Å; P1516-D1519 WeakPolarHBondContact CG-OD2 3.34Å; P1516-D1519 WeakPolarHBondContact O-CA 3.33Å; P1516-D1519 WeakPolarHBondContact O-CB 3.46Å; P1516-D1519 PolarHBondContact O-N 3.37Å; I1517-D1519 VanDerWaalsContact C-N 3.3Å; I1517-D1519 PolarHBondContact O-N 2.87Å; D1519-L1523 VanDerWaalsContact O-CB 3.3Å; D1519-L1523 WeakPolarHBondContact O-CB 3.38Å; D1519-L1523 WeakPolarHBondContact O-CG 3.38Å; D1519-L1523 PolarHBondContact O-N 3.49Å |
| 1520 | Y | 65.7 | Low | 61 | Low | 126 Ų | 126 | 101 Ų | 101 | 49% | 0.494 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 171 | -178.9 | -97.8 | 0 | 0 | 0 | 111.2 | P1516 I1517 L1523 Q1524 | P1516-Y1520 PolarHBondContact O-N 3.21Å; I1517-Y1520 PolarHBondContact O-N 3.44Å; Y1520-L1523 PolarHBondContact O-N 3.48Å; Y1520-Q1524 HydrophobicContact CD1-CG 4.43Å; Y1520-Q1524 HydrophobicContact CE1-CG 4.02Å; Y1520-Q1524 WeakPolarHBondContact O-CG 3.26Å; Y1520-Q1524 PolarHBondContact O-N 2.83Å; Y1520-Q1524 PolarHBondContact OH-NE2 3.44Å; Y1520-Q1524 VanDerWaalsContact OH-NE2 3.11Å |
| 1521 | E | 70.1 | Confident | 63 | Low | 28 Ų | 28 | 93 Ų | 93 | 13% | 0.131 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -71.1 | -38.5 | 173.1 | -66.7 | -153.6 | 115.4 | 0 | 0 | 112.7 | K1363 F1367 I1517 R1518 L1523 Q1524 L1525 | K1363-E1521 WeakPolarHBondContact CD-OE1 3.43Å; K1363-E1521 WeakPolarHBondContact CE-OE1 3.34Å; K1363-E1521 IonicContact NZ-OE1 3.37Å; K1363-E1521 PolarHBondContact NZ-OE1 3.39Å; F1367-E1521 WeakPolarHBondContact CE2-OE2 3.43Å; I1517-E1521 WeakPolarHBondContact O-CG 3.47Å; I1517-E1521 PolarHBondContact O-N 2.87Å; R1518-E1521 PolarHBondContact O-N 2.84Å; E1521-L1523 VanDerWaalsContact C-N 3.3Å; E1521-L1523 PolarHBondContact O-N 3.18Å; E1521-Q1524 PolarHBondContact O-N 3.07Å; E1521-L1525 WeakPolarHBondContact O-CB 3.42Å; E1521-L1525 WeakPolarHBondContact O-CG 3.43Å; E1521-L1525 PolarHBondContact O-N 3.36Å |
| 1522 | A | 71.5 | Confident | 65.1 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1518 L1525 H1526 | R1518-A1522 VanDerWaalsContact O-CB 3.29Å; R1518-A1522 WeakPolarHBondContact O-CB 3.26Å; R1518-A1522 PolarHBondContact O-N 3.31Å; A1522-L1525 PolarHBondContact O-N 2.92Å; A1522-H1526 WeakPolarHBondContact O-CB 3.42Å; A1522-H1526 PolarHBondContact O-N 2.91Å |
| 1523 | L | 72.1 | Confident | 67.3 | Low | 87 Ų | 87 | 89.7 Ų | 89.7 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 170.9 | -87.1 | 160.9 | 0 | 0 | 0 | 112.4 | V1515 D1519 Y1520 E1521 N1527 | V1515-L1523 HydrophobicContact CG1-CD1 4.44Å; D1519-L1523 VanDerWaalsContact O-CB 3.3Å; D1519-L1523 WeakPolarHBondContact O-CB 3.38Å; D1519-L1523 WeakPolarHBondContact O-CG 3.38Å; D1519-L1523 PolarHBondContact O-N 3.49Å; Y1520-L1523 PolarHBondContact O-N 3.48Å; E1521-L1523 VanDerWaalsContact C-N 3.3Å; E1521-L1523 PolarHBondContact O-N 3.18Å; L1523-N1527 VanDerWaalsContact O-CB 3.25Å; L1523-N1527 WeakPolarHBondContact O-CB 3.45Å; L1523-N1527 PolarHBondContact O-N 3.46Å; L1523-N1527 PolarHBondContact O-ND2 3.47Å |
| 1524 | Q | 73.3 | Confident | 69.2 | Low | 85 Ų | 85 | 88.7 Ų | 88.7 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 173.5 | -78.8 | -164.5 | -11.5 | 0 | 0 | 111.9 | Y1520 E1521 T1528 | Y1520-Q1524 HydrophobicContact CD1-CG 4.43Å; Y1520-Q1524 HydrophobicContact CE1-CG 4.02Å; Y1520-Q1524 WeakPolarHBondContact O-CG 3.26Å; Y1520-Q1524 PolarHBondContact O-N 2.83Å; Y1520-Q1524 PolarHBondContact OH-NE2 3.44Å; Y1520-Q1524 VanDerWaalsContact OH-NE2 3.11Å; E1521-Q1524 PolarHBondContact O-N 3.07Å; Q1524-T1528 VanDerWaalsContact O-CB 3.23Å; Q1524-T1528 WeakPolarHBondContact O-CB 3.39Å; Q1524-T1528 PolarHBondContact O-N 2.88Å; Q1524-T1528 PolarHBondContact O-OG1 3.34Å |
| 1525 | L | 75.7 | Confident | 71.1 | Confident | 71 Ų | 71 | 89.8 Ų | 89.8 | 37% | 0.372 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 174.6 | -80.3 | 158.5 | 0 | 0 | 0 | 111.5 | M1356 E1521 A1522 T1528 D1529 | M1356-L1525 HydrophobicContact SD-CD2 3.9Å; E1521-L1525 WeakPolarHBondContact O-CB 3.42Å; E1521-L1525 WeakPolarHBondContact O-CG 3.43Å; E1521-L1525 PolarHBondContact O-N 3.36Å; A1522-L1525 PolarHBondContact O-N 2.92Å; L1525-T1528 PolarHBondContact O-N 2.78Å; L1525-D1529 WeakPolarHBondContact O-CB 3.16Å; L1525-D1529 PolarHBondContact O-N 3.38Å |
| 1526 | H | 78.9 | Confident | 72.9 | Confident | 109 Ų | 109 | 90.9 Ų | 90.9 | 51% | 0.505 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 178.8 | -176.5 | 45.5 | 0 | 0 | 0 | 112.2 | A1522 D1529 L1530 | A1522-H1526 WeakPolarHBondContact O-CB 3.42Å; A1522-H1526 PolarHBondContact O-N 2.91Å; H1526-D1529 PolarHBondContact O-N 3.19Å; H1526-L1530 VanDerWaalsContact O-CB 3.3Å; H1526-L1530 WeakPolarHBondContact O-CB 3.38Å; H1526-L1530 WeakPolarHBondContact O-CG 3.42Å; H1526-L1530 PolarHBondContact O-N 2.86Å |
| 1527 | N | 76 | Confident | 74.4 | Confident | 89 Ų | 89 | 91.7 Ų | 91.7 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 172.2 | -80 | -69.3 | 0 | 0 | 0 | 112 | L1523 L1530 Q1531 | L1523-N1527 VanDerWaalsContact O-CB 3.25Å; L1523-N1527 WeakPolarHBondContact O-CB 3.45Å; L1523-N1527 PolarHBondContact O-N 3.46Å; L1523-N1527 PolarHBondContact O-ND2 3.47Å; N1527-L1530 PolarHBondContact O-N 3.44Å; N1527-Q1531 WeakPolarHBondContact O-CB 3.3Å; N1527-Q1531 PolarHBondContact O-N 3.39Å |
| 1528 | T | 78.7 | Confident | 75.4 | Confident | 72 Ų | 72 | 90.7 Ų | 90.7 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 175.6 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | Q1524 L1525 Q1531 N1532 | Q1524-T1528 VanDerWaalsContact O-CB 3.23Å; Q1524-T1528 WeakPolarHBondContact O-CB 3.39Å; Q1524-T1528 PolarHBondContact O-N 2.88Å; Q1524-T1528 PolarHBondContact O-OG1 3.34Å; L1525-T1528 PolarHBondContact O-N 2.78Å; T1528-Q1531 PolarHBondContact O-N 2.92Å; T1528-N1532 WeakPolarHBondContact O-CB 3.38Å; T1528-N1532 PolarHBondContact O-N 2.95Å; T1528-N1532 PolarHBondContact O-ND2 2.93Å |
| 1529 | D | 78.8 | Confident | 76.3 | Confident | 76 Ų | 76 | 84.3 Ų | 84.3 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 174.5 | -168.7 | 57.9 | 0 | 0 | 0 | 111.7 | L1525 H1526 Q1531 N1532 Q1533 | L1525-D1529 WeakPolarHBondContact O-CB 3.16Å; L1525-D1529 PolarHBondContact O-N 3.38Å; H1526-D1529 PolarHBondContact O-N 3.19Å; D1529-Q1531 VanDerWaalsContact C-N 3.27Å; D1529-Q1531 PolarHBondContact O-N 3.43Å; D1529-N1532 CarbonylContact O-C 3.52Å; D1529-N1532 PolarHBondContact O-N 3.29Å; D1529-Q1533 WeakPolarHBondContact O-CB 3.35Å; D1529-Q1533 VanDerWaalsContact O-CG 3.27Å; D1529-Q1533 WeakPolarHBondContact O-CG 3.33Å; D1529-Q1533 PolarHBondContact O-N 2.73Å; D1529-Q1533 PolarHBondContact OD2-NE2 3.14Å |
| 1530 | L | 79.6 | Confident | 77.2 | Confident | 66 Ų | 66 | 84.3 Ų | 84.3 | 35% | 0.346 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58 | -38.5 | 169.9 | -85.3 | 165.7 | 0 | 0 | 0 | 112.4 | H1526 N1527 Q1533 L1534 | H1526-L1530 VanDerWaalsContact O-CB 3.3Å; H1526-L1530 WeakPolarHBondContact O-CB 3.38Å; H1526-L1530 WeakPolarHBondContact O-CG 3.42Å; H1526-L1530 PolarHBondContact O-N 2.86Å; N1527-L1530 PolarHBondContact O-N 3.44Å; L1530-Q1533 PolarHBondContact O-N 2.85Å; L1530-L1534 VanDerWaalsContact O-CB 3.27Å; L1530-L1534 WeakPolarHBondContact O-CB 3.33Å; L1530-L1534 WeakPolarHBondContact O-CG 3.3Å; L1530-L1534 PolarHBondContact O-N 3.45Å |
| 1531 | Q | 80 | Confident | 77.8 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 36% | 0.36 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -73.2 | -34.6 | 178.4 | -166.7 | 168.1 | 25.4 | 0 | 0 | 111.6 | N1527 T1528 D1529 Q1535 | N1527-Q1531 WeakPolarHBondContact O-CB 3.3Å; N1527-Q1531 PolarHBondContact O-N 3.39Å; T1528-Q1531 PolarHBondContact O-N 2.92Å; D1529-Q1531 VanDerWaalsContact C-N 3.27Å; D1529-Q1531 PolarHBondContact O-N 3.43Å; Q1531-Q1535 WeakPolarHBondContact O-CB 3.43Å; Q1531-Q1535 WeakPolarHBondContact O-CG 3.12Å; Q1531-Q1535 PolarHBondContact O-N 3.34Å |
| 1532 | N | 81 | Confident | 78.2 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 46% | 0.46 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 169.8 | -71.5 | -28.1 | 0 | 0 | 0 | 111.4 | T1528 D1529 L1534 Q1535 Q1536 | T1528-N1532 WeakPolarHBondContact O-CB 3.38Å; T1528-N1532 PolarHBondContact O-N 2.95Å; T1528-N1532 PolarHBondContact O-ND2 2.93Å; D1529-N1532 CarbonylContact O-C 3.52Å; D1529-N1532 PolarHBondContact O-N 3.29Å; N1532-L1534 VanDerWaalsContact C-N 3.34Å; N1532-Q1535 CarbonylContact O-C 3.57Å; N1532-Q1535 PolarHBondContact O-N 3.16Å; N1532-Q1536 VanDerWaalsContact O-CB 3.31Å; N1532-Q1536 WeakPolarHBondContact O-CB 3.42Å; N1532-Q1536 PolarHBondContact O-N 2.97Å |
| 1533 | Q | 84.2 | Confident | 78.3 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.6 | -71.7 | -177.6 | 35.1 | 0 | 0 | 111.1 | D1529 L1530 Q1536 L1537 | D1529-Q1533 WeakPolarHBondContact O-CB 3.35Å; D1529-Q1533 VanDerWaalsContact O-CG 3.27Å; D1529-Q1533 WeakPolarHBondContact O-CG 3.33Å; D1529-Q1533 PolarHBondContact O-N 2.73Å; D1529-Q1533 PolarHBondContact OD2-NE2 3.14Å; L1530-Q1533 PolarHBondContact O-N 2.85Å; Q1533-Q1536 PolarHBondContact O-N 2.99Å; Q1533-L1537 VanDerWaalsContact O-CB 3.26Å; Q1533-L1537 WeakPolarHBondContact O-CB 3.48Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.22Å; Q1533-L1537 PolarHBondContact O-N 3.43Å |
| 1534 | L | 80.6 | Confident | 78.2 | Confident | 117 Ų | 117 | 88 Ų | 88 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.1 | -38.5 | 172.4 | -87.8 | 162.1 | 0 | 0 | 0 | 112.5 | L1530 N1532 S1538 | L1530-L1534 VanDerWaalsContact O-CB 3.27Å; L1530-L1534 WeakPolarHBondContact O-CB 3.33Å; L1530-L1534 WeakPolarHBondContact O-CG 3.3Å; L1530-L1534 PolarHBondContact O-N 3.45Å; N1532-L1534 VanDerWaalsContact C-N 3.34Å; L1534-S1538 WeakPolarHBondContact O-CB 3.41Å; L1534-S1538 PolarHBondContact O-N 3.03Å |
| 1535 | Q | 80.2 | Confident | 78.1 | Confident | 128 Ų | 128 | 91.1 Ų | 91.1 | 60% | 0.598 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.2 | -38.8 | 172.5 | -80.7 | -170.9 | 2.1 | 0 | 0 | 111.9 | Q1531 N1532 S1538 A1539 | Q1531-Q1535 WeakPolarHBondContact O-CB 3.43Å; Q1531-Q1535 WeakPolarHBondContact O-CG 3.12Å; Q1531-Q1535 PolarHBondContact O-N 3.34Å; N1532-Q1535 CarbonylContact O-C 3.57Å; N1532-Q1535 PolarHBondContact O-N 3.16Å; Q1535-S1538 PolarHBondContact O-N 3.29Å; Q1535-A1539 WeakPolarHBondContact O-CB 3.36Å; Q1535-A1539 PolarHBondContact O-N 3.47Å |
| 1536 | Q | 79 | Confident | 77.9 | Confident | 107 Ų | 107 | 91 Ų | 91 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -48.5 | 176.8 | -176.4 | 57.1 | 44 | 0 | 0 | 110.8 | N1532 Q1533 S1538 A1539 D1540 | N1532-Q1536 VanDerWaalsContact O-CB 3.31Å; N1532-Q1536 WeakPolarHBondContact O-CB 3.42Å; N1532-Q1536 PolarHBondContact O-N 2.97Å; Q1533-Q1536 PolarHBondContact O-N 2.99Å; Q1536-S1538 VanDerWaalsContact C-N 3.3Å; Q1536-S1538 PolarHBondContact O-N 3.1Å; Q1536-A1539 CarbonylContact O-C 3.6Å; Q1536-A1539 PolarHBondContact O-N 3.11Å; Q1536-D1540 PolarHBondContact NE2-OD1 3.44Å; Q1536-D1540 PolarHBondContact NE2-OD2 2.89Å; Q1536-D1540 WeakPolarHBondContact O-CB 3.44Å; Q1536-D1540 PolarHBondContact O-N 2.91Å |
| 1537 | L | 79.8 | Confident | 77.3 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 172 | -81 | 163.2 | 0 | 0 | 0 | 111.8 | Q1533 D1540 F1541 | Q1533-L1537 VanDerWaalsContact O-CB 3.26Å; Q1533-L1537 WeakPolarHBondContact O-CB 3.48Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.22Å; Q1533-L1537 PolarHBondContact O-N 3.43Å; L1537-D1540 PolarHBondContact O-N 3.15Å; L1537-F1541 HydrophobicContact CB-CD2 4.46Å; L1537-F1541 HydrophobicContact CB-CE2 4.44Å; L1537-F1541 HydrophobicContact CD2-CE2 4.27Å; L1537-F1541 VanDerWaalsContact O-CB 3.27Å; L1537-F1541 WeakPolarHBondContact O-CB 3.34Å; L1537-F1541 WeakPolarHBondContact O-CD2 3.36Å; L1537-F1541 WeakPolarHBondContact O-CG 3.46Å; L1537-F1541 PolarHBondContact O-N 3.41Å |
| 1538 | S | 78.4 | Confident | 76.3 | Confident | 71 Ų | 71 | 92.4 Ų | 92.4 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | L1534 Q1535 Q1536 F1541 E1542 | L1534-S1538 WeakPolarHBondContact O-CB 3.41Å; L1534-S1538 PolarHBondContact O-N 3.03Å; Q1535-S1538 PolarHBondContact O-N 3.29Å; Q1536-S1538 VanDerWaalsContact C-N 3.3Å; Q1536-S1538 PolarHBondContact O-N 3.1Å; S1538-F1541 PolarHBondContact O-N 3.49Å; S1538-E1542 VanDerWaalsContact O-CB 3.26Å; S1538-E1542 WeakPolarHBondContact O-CB 3.37Å; S1538-E1542 PolarHBondContact O-N 3.3Å |
| 1539 | A | 79.2 | Confident | 75.2 | Confident | 51 Ų | 51 | 92 Ų | 92 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q1535 Q1536 E1542 A1543 | Q1535-A1539 WeakPolarHBondContact O-CB 3.36Å; Q1535-A1539 PolarHBondContact O-N 3.47Å; Q1536-A1539 CarbonylContact O-C 3.6Å; Q1536-A1539 PolarHBondContact O-N 3.11Å; A1539-E1542 CarbonylContact O-C 3.6Å; A1539-E1542 PolarHBondContact O-N 3.07Å; A1539-A1543 WeakPolarHBondContact O-CB 3.4Å; A1539-A1543 PolarHBondContact O-N 3.35Å |
| 1540 | D | 78.2 | Confident | 73.9 | Confident | 83 Ų | 83 | 91.9 Ų | 91.9 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 174.6 | -75.6 | -35.9 | 0 | 0 | 0 | 111.1 | Q1536 L1537 A1543 L1544 | Q1536-D1540 PolarHBondContact NE2-OD1 3.44Å; Q1536-D1540 PolarHBondContact NE2-OD2 2.89Å; Q1536-D1540 WeakPolarHBondContact O-CB 3.44Å; Q1536-D1540 PolarHBondContact O-N 2.91Å; L1537-D1540 PolarHBondContact O-N 3.15Å; D1540-A1543 PolarHBondContact O-N 2.86Å; D1540-L1544 WeakPolarHBondContact O-CB 3.33Å; D1540-L1544 PolarHBondContact O-N 2.9Å |
| 1541 | F | 78.9 | Confident | 72.1 | Confident | 137 Ų | 137 | 92 Ų | 92 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.7 | -36 | 171.1 | -77.4 | -52.1 | 0 | 0 | 0 | 112.3 | L1537 S1538 A1543 R1545 | L1537-F1541 HydrophobicContact CB-CD2 4.46Å; L1537-F1541 HydrophobicContact CB-CE2 4.44Å; L1537-F1541 HydrophobicContact CD2-CE2 4.27Å; L1537-F1541 VanDerWaalsContact O-CB 3.27Å; L1537-F1541 WeakPolarHBondContact O-CB 3.34Å; L1537-F1541 WeakPolarHBondContact O-CD2 3.36Å; L1537-F1541 WeakPolarHBondContact O-CG 3.46Å; L1537-F1541 PolarHBondContact O-N 3.41Å; S1538-F1541 PolarHBondContact O-N 3.49Å; F1541-A1543 VanDerWaalsContact C-N 3.35Å; F1541-R1545 WeakPolarHBondContact O-CA 3.45Å; F1541-R1545 WeakPolarHBondContact O-CB 3.34Å; F1541-R1545 PolarHBondContact O-N 2.88Å |
| 1542 | E | 77.3 | Confident | 70.3 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.6 | -26.7 | 175.2 | -159.1 | 67.1 | -109.8 | 0 | 0 | 111 | S1538 A1539 R1545 S1546 | S1538-E1542 VanDerWaalsContact O-CB 3.26Å; S1538-E1542 WeakPolarHBondContact O-CB 3.37Å; S1538-E1542 PolarHBondContact O-N 3.3Å; A1539-E1542 CarbonylContact O-C 3.6Å; A1539-E1542 PolarHBondContact O-N 3.07Å; E1542-R1545 WeakPolarHBondContact OE1-CD 3.35Å; E1542-R1545 IonicContact OE1-CZ 2.7Å; E1542-R1545 IonicContact OE1-NE 2.65Å; E1542-R1545 IonicContact OE1-NH1 2.69Å; E1542-R1545 PolarHBondContact OE1-NH1 2.71Å; E1542-R1545 IonicContact OE2-NH1 2.71Å; E1542-R1545 PolarHBondContact OE2-NH1 3.07Å; E1542-S1546 WeakPolarHBondContact O-CA 3.48Å; E1542-S1546 WeakPolarHBondContact O-CB 3.48Å; E1542-S1546 PolarHBondContact O-N 3.01Å; E1542-S1546 PolarHBondContact O-OG 3.37Å |
| 1543 | A | 73.7 | Confident | 68.5 | Low | 43 Ų | 43 | 91.5 Ų | 91.5 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -77.3 | -40.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1539 D1540 F1541 S1546 K1547 | A1539-A1543 WeakPolarHBondContact O-CB 3.4Å; A1539-A1543 PolarHBondContact O-N 3.35Å; D1540-A1543 PolarHBondContact O-N 2.86Å; F1541-A1543 VanDerWaalsContact C-N 3.35Å; A1543-S1546 PolarHBondContact O-N 3.28Å; A1543-K1547 WeakPolarHBondContact O-CB 3.39Å; A1543-K1547 WeakPolarHBondContact O-CG 3.39Å; A1543-K1547 PolarHBondContact O-N 3.49Å |
| 1544 | L | 71 | Confident | 66.4 | Low | 105 Ų | 105 | 90.2 Ų | 90.2 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 170 | -131.1 | 82.7 | 0 | 0 | 0 | 109.7 | D1540 S1546 K1547 C1548 | D1540-L1544 WeakPolarHBondContact O-CB 3.33Å; D1540-L1544 PolarHBondContact O-N 2.9Å; L1544-S1546 VanDerWaalsContact C-N 3.33Å; L1544-S1546 PolarHBondContact O-N 2.89Å; L1544-K1547 PolarHBondContact O-N 2.84Å; L1544-C1548 WeakPolarHBondContact O-CB 3.41Å; L1544-C1548 PolarHBondContact O-N 2.88Å; L1544-C1548 PolarHBondContact O-SG 3.34Å |
| 1545 | R | 70.3 | Confident | 64 | Low | 150 Ų | 150 | 86.4 Ų | 86.4 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -35.3 | 175.2 | -177 | 176.8 | 177.1 | -151.2 | 8.2 | 111.2 | F1541 E1542 T1549 | F1541-R1545 WeakPolarHBondContact O-CA 3.45Å; F1541-R1545 WeakPolarHBondContact O-CB 3.34Å; F1541-R1545 PolarHBondContact O-N 2.88Å; E1542-R1545 WeakPolarHBondContact OE1-CD 3.35Å; E1542-R1545 IonicContact OE1-CZ 2.7Å; E1542-R1545 IonicContact OE1-NE 2.65Å; E1542-R1545 IonicContact OE1-NH1 2.69Å; E1542-R1545 PolarHBondContact OE1-NH1 2.71Å; E1542-R1545 IonicContact OE2-NH1 2.71Å; E1542-R1545 PolarHBondContact OE2-NH1 3.07Å; R1545-T1549 WeakPolarHBondContact O-CA 3.37Å; R1545-T1549 WeakPolarHBondContact O-CB 3.48Å; R1545-T1549 PolarHBondContact O-N 2.83Å; R1545-T1549 PolarHBondContact O-OG1 3.01Å |
| 1546 | S | 71.2 | Confident | 61.9 | Low | 68 Ų | 68 | 84.6 Ų | 84.6 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 173.3 | -68.8 | 0 | 0 | 0 | 0 | 112 | E1542 A1543 L1544 A1550 | E1542-S1546 WeakPolarHBondContact O-CA 3.48Å; E1542-S1546 WeakPolarHBondContact O-CB 3.48Å; E1542-S1546 PolarHBondContact O-N 3.01Å; E1542-S1546 PolarHBondContact O-OG 3.37Å; A1543-S1546 PolarHBondContact O-N 3.28Å; L1544-S1546 VanDerWaalsContact C-N 3.33Å; L1544-S1546 PolarHBondContact O-N 2.89Å; S1546-A1550 WeakPolarHBondContact O-CB 3.44Å; S1546-A1550 PolarHBondContact O-N 3.28Å |
| 1547 | K | 67.9 | Low | 60.1 | Low | 155 Ų | 155 | 83.5 Ų | 83.5 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -50.7 | 170.6 | -76.1 | 171.6 | 178.3 | 172.3 | 0 | 111.3 | A1543 L1544 T1549 A1550 A1551 | A1543-K1547 WeakPolarHBondContact O-CB 3.39Å; A1543-K1547 WeakPolarHBondContact O-CG 3.39Å; A1543-K1547 PolarHBondContact O-N 3.49Å; L1544-K1547 PolarHBondContact O-N 2.84Å; K1547-T1549 PolarHBondContact O-N 3.38Å; K1547-A1550 PolarHBondContact O-N 2.88Å; K1547-A1551 WeakPolarHBondContact O-CB 3.28Å; K1547-A1551 PolarHBondContact O-N 3.46Å |
| 1548 | C | 54.3 | Low | 58 | Low | 72 Ų | 72 | 88 Ų | 88 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -33.7 | 177.2 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | L1544 A1551 C1552 | L1544-C1548 WeakPolarHBondContact O-CB 3.41Å; L1544-C1548 PolarHBondContact O-N 2.88Å; L1544-C1548 PolarHBondContact O-SG 3.34Å; C1548-A1551 CarbonylContact O-C 3.59Å; C1548-A1551 PolarHBondContact O-N 2.93Å; C1548-C1552 WeakPolarHBondContact O-CB 3.3Å; C1548-C1552 PolarHBondContact O-N 3.23Å; C1548-C1552 PolarHBondContact O-SG 2.83Å |
| 1549 | T | 56.4 | Low | 56.2 | Low | 63 Ų | 63 | 91.2 Ų | 91.2 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -80.4 | -29.9 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | R1545 K1547 A1551 S1553 | R1545-T1549 WeakPolarHBondContact O-CA 3.37Å; R1545-T1549 WeakPolarHBondContact O-CB 3.48Å; R1545-T1549 PolarHBondContact O-N 2.83Å; R1545-T1549 PolarHBondContact O-OG1 3.01Å; K1547-T1549 PolarHBondContact O-N 3.38Å; T1549-A1551 VanDerWaalsContact C-N 3.34Å; T1549-S1553 VanDerWaalsContact CG2-OG 3.24Å; T1549-S1553 WeakPolarHBondContact CG2-OG 3.46Å; T1549-S1553 WeakPolarHBondContact O-CA 3.33Å; T1549-S1553 WeakPolarHBondContact O-CB 3.27Å; T1549-S1553 PolarHBondContact O-N 3.42Å; T1549-S1553 PolarHBondContact O-OG 3.2Å |
| 1550 | A | 51.7 | Low | 54.1 | Low | 75 Ų | 75 | 90.6 Ų | 90.6 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -37.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1546 K1547 | S1546-A1550 WeakPolarHBondContact O-CB 3.44Å; S1546-A1550 PolarHBondContact O-N 3.28Å; K1547-A1550 PolarHBondContact O-N 2.88Å |
| 1551 | A | 41.3 | Very low | 51.9 | Low | 69 Ų | 69 | 93.7 Ų | 93.7 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73 | -28.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1547 C1548 T1549 S1554 | K1547-A1551 WeakPolarHBondContact O-CB 3.28Å; K1547-A1551 PolarHBondContact O-N 3.46Å; C1548-A1551 CarbonylContact O-C 3.59Å; C1548-A1551 PolarHBondContact O-N 2.93Å; T1549-A1551 VanDerWaalsContact C-N 3.34Å; A1551-S1554 PolarHBondContact O-OG 3.49Å |
| 1552 | C | 41.3 | Very low | 49.9 | Very low | 83 Ų | 83 | 92.9 Ų | 92.9 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -107.3 | -19.4 | -175.2 | -66.6 | 0 | 0 | 0 | 0 | 115.2 | C1548 S1554 A1555 | C1548-C1552 WeakPolarHBondContact O-CB 3.3Å; C1548-C1552 PolarHBondContact O-N 3.23Å; C1548-C1552 PolarHBondContact O-SG 2.83Å; C1552-S1554 VanDerWaalsContact C-N 3.25Å; C1552-S1554 PolarHBondContact O-N 2.71Å; C1552-A1555 CarbonylContact O-C 3.55Å; C1552-A1555 WeakPolarHBondContact O-CA 3.49Å; C1552-A1555 PolarHBondContact O-N 2.97Å |
| 1553 | S | 43.7 | Very low | 48 | Very low | 69 Ų | 69 | 96.6 Ų | 96.6 | 48% | 0.483 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.8 | -29.9 | 177.8 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | T1549 A1555 S1556 | T1549-S1553 VanDerWaalsContact CG2-OG 3.24Å; T1549-S1553 WeakPolarHBondContact CG2-OG 3.46Å; T1549-S1553 WeakPolarHBondContact O-CA 3.33Å; T1549-S1553 WeakPolarHBondContact O-CB 3.27Å; T1549-S1553 PolarHBondContact O-N 3.42Å; T1549-S1553 PolarHBondContact O-OG 3.2Å; S1553-A1555 PolarHBondContact O-N 2.95Å; S1553-S1556 PolarHBondContact O-OG 3.46Å |
| 1554 | S | 39.2 | Very low | 46.3 | Very low | 70 Ų | 70 | 98.5 Ų | 98.5 | 49% | 0.49 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.3 | -17.5 | 167.3 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | L1179 A1551 C1552 | L1179-S1554 WeakPolarHBondContact CD2-O 3.46Å; A1551-S1554 PolarHBondContact O-OG 3.49Å; C1552-S1554 VanDerWaalsContact C-N 3.25Å; C1552-S1554 PolarHBondContact O-N 2.71Å |
| 1555 | A | 31.3 | Very low | 44.4 | Very low | 36 Ų | 36 | 101.3 Ų | 101.3 | 30% | 0.298 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.5 | 30.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1179 C1552 S1553 N1557 | L1179-A1555 HydrophobicContact CD1-CB 3.64Å; C1552-A1555 CarbonylContact O-C 3.55Å; C1552-A1555 WeakPolarHBondContact O-CA 3.49Å; C1552-A1555 PolarHBondContact O-N 2.97Å; S1553-A1555 PolarHBondContact O-N 2.95Å; A1555-N1557 PolarHBondContact O-N 3.35Å; A1555-N1557 VanDerWaalsContact O-N 3.1Å |
| 1556 | S | 36.4 | Very low | 42.7 | Very low | 91 Ų | 91 | 101.5 Ų | 101.5 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | trans | -86.8 | 48.9 | -171.2 | 51.6 | 0 | 0 | 0 | 0 | 115.8 | S1553 | S1553-S1556 PolarHBondContact O-OG 3.46Š| ||
| 1557 | N | 40.4 | Very low | 40.9 | Very low | 83 Ų | 83 | 105.6 Ų | 105.6 | 44% | 0.444 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -146.2 | 80.6 | 167.7 | -104.2 | -33.2 | 0 | 0 | 0 | 114.6 | A1555 N1559 | A1555-N1557 PolarHBondContact O-N 3.35Å; A1555-N1557 VanDerWaalsContact O-N 3.1Å; N1557-N1559 PolarHBondContact O-N 3.49Å |
| 1558 | K | 34.9 | Very low | 39.4 | Very low | 183 Ų | 183 | 104.3 Ų | 104.3 | 80% | 0.796 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 23.1 | 82.8 | 137 | -54.3 | 171.7 | -175.3 | 174.3 | 0 | 118.2 | ||
| 1559 | N | 40.8 | Very low | 38.6 | Very low | 139 Ų | 139 | 106.5 Ų | 106.5 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 173.4 | 42.2 | 135.9 | -86 | -20.1 | 0 | 0 | 0 | 115.6 | N1557 | N1557-N1559 PolarHBondContact O-N 3.49Š|
| 1560 | S | 36.2 | Very low | 37.6 | Very low | 39 Ų | 39 | 109.1 Ų | 109.1 | 27% | 0.273 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -143.8 | -17.1 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 117.4 | S1562 | S1560-S1562 VanDerWaalsContact C-N 3.29Å; S1560-S1562 PolarHBondContact O-N 2.86Å; S1560-S1562 VanDerWaalsContact O-N 3.11Å |
| 1561 | L | 31.9 | Very low | 36.7 | Very low | 147 Ų | 147 | 111.8 Ų | 111.8 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 18.7 | -166.2 | -85.8 | 164 | 0 | 0 | 0 | 116.6 | ||
| 1562 | S | 36.4 | Very low | 36.4 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 84% | 0.839 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -2 | -173.8 | 50.6 | 0 | 0 | 0 | 0 | 116 | S1560 | S1560-S1562 VanDerWaalsContact C-N 3.29Å; S1560-S1562 PolarHBondContact O-N 2.86Å; S1560-S1562 VanDerWaalsContact O-N 3.11Å |
| 1563 | E | 36.9 | Very low | 35.9 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -119.3 | -9.4 | -165.8 | -159.8 | 149.2 | -154.2 | 0 | 0 | 115.1 | ||
| 1564 | S | 37.8 | Very low | 35.6 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 58% | 0.58 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -100.1 | 17.9 | -174.6 | -170.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1565 | L | 32.8 | Very low | 35.4 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -144.6 | 47.6 | -176.8 | -119.9 | 162.4 | 0 | 0 | 0 | 113 | ||
| 1566 | H | 34.8 | Very low | 35.4 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -151.5 | 173.7 | 169.7 | -112.5 | 54.4 | 0 | 0 | 0 | 109.8 | ||||
| 1567 | I | 32.3 | Very low | 35.4 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | trans | 73 | 134.3 | -176.1 | -48.2 | 172.6 | 0 | 0 | 0 | 112.9 | ||||
| 1568 | H | 36.4 | Very low | 35 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 59% | 0.593 | 72% | 0.719 | S | S | * | * | cis | -167.3 | 124.5 | -39.6 | -113.8 | -59.1 | 0 | 0 | 0 | 106.8 | V1570 | H1568-V1570 PolarHBondContact O-N 3.44Š| ||
| 1569 | T | 37.7 | Very low | 35 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | 8.1 | 106.7 | 132.8 | -35.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1570 | V | 35.5 | Very low | 34.4 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | trans | 71.4 | 129.9 | 132.5 | 177.5 | 0 | 0 | 0 | 0 | 120.5 | H1568 | H1568-V1570 PolarHBondContact O-N 3.44Š| ||
| 1571 | D | 32.9 | Very low | 34.3 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | 51.7 | 111.4 | 156.2 | -79.7 | -57.8 | 0 | 0 | 0 | 123.2 | ||||
| 1572 | N | 34 | Very low | 34.1 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 52% | 0.524 | 75% | 0.754 | S | S | . | * | 49.8 | 108.9 | 115.5 | -76.9 | -45.4 | 0 | 0 | 0 | 120.6 | |||||
| 1573 | T | 32.7 | Very low | 33.8 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 88.6 | 151.9 | 140 | 72.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1574 | V | 36.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 75.9 | 74 | 166.5 | -157 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1575 | R | 34.1 | Very low | 33.8 | Very low | 230 Ų | 230 | 143.9 Ų | 143.9 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | 66.4 | 110 | 114.2 | -143.4 | 176.9 | -160.6 | 168 | 5 | 120 | |||||
| 1576 | S | 32.7 | Very low | 33.9 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 86.5 | 129.3 | 138.2 | -75.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1577 | N | 36 | Very low | 33.9 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | 89.7 | 91.2 | 142.3 | -60.1 | -1.6 | 0 | 0 | 0 | 120.9 | ||||
| 1578 | N | 32.2 | Very low | 34 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 4.4 | 128.6 | 137.4 | -52.2 | -5.5 | 0 | 0 | 0 | 118.9 | ||||
| 1579 | Y | 35.2 | Very low | 34.2 | Very low | 242 Ų | 242 | 140.9 Ų | 140.9 | 95% | 0.949 | 77% | 0.772 | S | S | * | * | -153.2 | 135.4 | 128.8 | -99.5 | -69.5 | 0 | 0 | 0 | 110.5 | |||||
| 1580 | S | 28.2 | Very low | 34.1 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -98 | 132.8 | -178.5 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1581 | L | 32.8 | Very low | 34 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -141.1 | 116.3 | 163.3 | -89.1 | 173.8 | 0 | 0 | 0 | 110.5 | ||||
| 1582 | S | 28.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -89.5 | 141.1 | 169.1 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1583 | F | 31.2 | Very low | 34 | Very low | 187 Ų | 187 | 153.7 Ų | 153.7 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | trans | -144.1 | 101.4 | 166.5 | -103.8 | -77.6 | 0 | 0 | 0 | 112 | ||||
| 1584 | N | 34.7 | Very low | 34 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -77.2 | 123.7 | 163 | -69.5 | -34.6 | 0 | 0 | 0 | 109.3 | ||||
| 1585 | S | 39 | Very low | 33.9 | Very low | 114 Ų | 114 | 157.8 Ų | 157.8 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -169.5 | 114.7 | 154.1 | -83.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1586 | I | 34.7 | Very low | 34 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -98.6 | 139.5 | 176 | -63.9 | 163.8 | 0 | 0 | 0 | 109.2 | P1588 | I1586-P1588 HydrophobicContact CG2-CB 4.31Š| ||
| 1587 | P | 35.3 | Very low | 34 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -102.5 | 134.9 | 145.5 | -13.3 | 31.7 | 0 | 0 | 0 | 111.3 | ||||
| 1588 | P | 34 | Very low | 33.9 | Very low | 100 Ų | 100 | 152.2 Ų | 152.2 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | trans | -111.1 | 121.9 | -170 | 36.7 | -26.5 | 0 | 0 | 0 | 114 | I1586 | I1586-P1588 HydrophobicContact CG2-CB 4.31Š| ||
| 1589 | D | 41.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -142.7 | 2.1 | 172.7 | -103.9 | -38.1 | 0 | 0 | 0 | 115.2 | ||||
| 1590 | Y | 36.1 | Very low | 34.6 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -124.4 | 80.3 | 176.8 | -77.3 | -89.5 | 0 | 0 | 0 | 110.8 | ||||
| 1591 | Q | 32.5 | Very low | 35.6 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -138.2 | 55.4 | -179.8 | -156.3 | 168.6 | 32.2 | 0 | 0 | 113.2 | ||||
| 1592 | H | 31.9 | Very low | 36.1 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -138.5 | 166.5 | 162.7 | -104.5 | -100.8 | 0 | 0 | 0 | 109 | ||||
| 1593 | V | 35.7 | Very low | 36.7 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 72 | 55.2 | -176.9 | -158.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1594 | L | 33 | Very low | 38.1 | Very low | 171 Ų | 171 | 144 Ų | 144 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -139.2 | 41.2 | 161.7 | -90.9 | -177.4 | 0 | 0 | 0 | 112.9 | ||||
| 1595 | L | 33 | Very low | 39.3 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -146.5 | 40.3 | 175.7 | -83.9 | -173.3 | 0 | 0 | 0 | 115.1 | ||
| 1596 | T | 36.1 | Very low | 40.3 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -152.2 | 142.1 | 166.1 | 40.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1597 | S | 34 | Very low | 42 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | 35.3 | 105.2 | 152.7 | -52.2 | 0 | 0 | 0 | 0 | 119.7 | S1599 | S1597-S1599 PolarHBondContact O-N 2.86Š| ||
| 1598 | P | 32.7 | Very low | 43.9 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -78.5 | 16.1 | -175.4 | -17.8 | 33.3 | 0 | 0 | 0 | 118.8 | ||
| 1599 | S | 37.5 | Very low | 45.8 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -79.6 | -46 | -166.8 | 48 | 0 | 0 | 0 | 0 | 115.4 | S1597 | S1597-S1599 PolarHBondContact O-N 2.86Š|
| 1600 | D | 45.5 | Very low | 47.5 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 68% | 0.684 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -21.5 | -152.9 | -57.2 | -8.8 | 0 | 0 | 0 | 114.4 | R1602 | D1600-R1602 VanDerWaalsContact C-N 3.27Å; D1600-R1602 PolarHBondContact O-N 3.41Å |
| 1601 | N | 47.9 | Very low | 49.7 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -22.3 | -174.5 | -79.6 | 13.1 | 0 | 0 | 0 | 114.4 | L1603 H1604 E1605 | N1601-L1603 VanDerWaalsContact C-N 3.26Å; N1601-L1603 PolarHBondContact O-N 2.88Å; N1601-H1604 WeakPolarHBondContact O-CB 3.34Å; N1601-H1604 PolarHBondContact O-N 3.48Å; N1601-E1605 PolarHBondContact O-N 3.09Å |
| 1602 | R | 44.3 | Very low | 52.2 | Low | 191 Ų | 191 | 125.9 Ų | 125.9 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -60.6 | -32.4 | -176.8 | -82.9 | -174.3 | 165.4 | -162 | -5.7 | 113.5 | D1600 H1604 L1606 | D1600-R1602 VanDerWaalsContact C-N 3.27Å; D1600-R1602 PolarHBondContact O-N 3.41Å; R1602-H1604 VanDerWaalsContact C-N 3.3Å; R1602-H1604 PolarHBondContact O-N 2.92Å; R1602-L1606 WeakPolarHBondContact O-CB 3.35Å; R1602-L1606 VanDerWaalsContact O-CG 3.31Å; R1602-L1606 WeakPolarHBondContact O-CG 3.4Å; R1602-L1606 PolarHBondContact O-N 3.4Å; R1602-L1606 VanDerWaalsContact O-N 3.1Å |
| 1603 | L | 41.1 | Very low | 54.5 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.2 | -31.1 | 175.7 | -72.6 | 173.1 | 0 | 0 | 0 | 111.9 | N1601 V1607 | N1601-L1603 VanDerWaalsContact C-N 3.26Å; N1601-L1603 PolarHBondContact O-N 2.88Å; L1603-V1607 WeakPolarHBondContact O-CG2 3.4Å; L1603-V1607 PolarHBondContact O-N 3.16Å |
| 1604 | H | 60.3 | Low | 56.8 | Low | 127 Ų | 127 | 119.5 Ų | 119.5 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.9 | -42.9 | 178.3 | -153.8 | 43.5 | 0 | 0 | 0 | 111.5 | N1601 R1602 L1606 V1607 E1608 | N1601-H1604 WeakPolarHBondContact O-CB 3.34Å; N1601-H1604 PolarHBondContact O-N 3.48Å; R1602-H1604 VanDerWaalsContact C-N 3.3Å; R1602-H1604 PolarHBondContact O-N 2.92Å; H1604-L1606 VanDerWaalsContact C-N 3.31Å; H1604-L1606 PolarHBondContact O-N 3.31Å; H1604-V1607 PolarHBondContact O-N 3.15Å; H1604-E1608 PolarHBondContact O-N 3.49Å |
| 1605 | E | 58.9 | Low | 59.3 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.4 | -38.3 | 173.4 | -69.5 | -178.7 | 135.2 | 0 | 0 | 112.2 | N1601 Y1609 | N1601-E1605 PolarHBondContact O-N 3.09Å; E1605-Y1609 VanDerWaalsContact O-CB 3.23Å; E1605-Y1609 WeakPolarHBondContact O-CB 3.36Å; E1605-Y1609 PolarHBondContact O-N 2.92Å |
| 1606 | L | 60.6 | Low | 61.7 | Low | 112 Ų | 112 | 107 Ų | 107 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 175 | -76.5 | 167.2 | 0 | 0 | 0 | 112.7 | R1602 H1604 Y1609 E1610 | R1602-L1606 WeakPolarHBondContact O-CB 3.35Å; R1602-L1606 VanDerWaalsContact O-CG 3.31Å; R1602-L1606 WeakPolarHBondContact O-CG 3.4Å; R1602-L1606 PolarHBondContact O-N 3.4Å; R1602-L1606 VanDerWaalsContact O-N 3.1Å; H1604-L1606 VanDerWaalsContact C-N 3.31Å; H1604-L1606 PolarHBondContact O-N 3.31Å; L1606-Y1609 PolarHBondContact O-N 3Å; L1606-E1610 WeakPolarHBondContact O-CB 3.48Å; L1606-E1610 PolarHBondContact O-N 2.97Å |
| 1607 | V | 71.6 | Confident | 63.9 | Low | 98 Ų | 98 | 106.4 Ų | 106.4 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -41.4 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L1603 H1604 Y1609 Y1611 | L1603-V1607 WeakPolarHBondContact O-CG2 3.4Å; L1603-V1607 PolarHBondContact O-N 3.16Å; H1604-V1607 PolarHBondContact O-N 3.15Å; V1607-Y1609 VanDerWaalsContact C-N 3.33Å; V1607-Y1611 WeakPolarHBondContact O-CB 3.36Å; V1607-Y1611 PolarHBondContact O-N 3.01Å |
| 1608 | E | 73.7 | Confident | 66.3 | Low | 97 Ų | 97 | 104.7 Ų | 104.7 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 173 | -72.3 | -163.7 | 151.4 | 0 | 0 | 111.7 | H1604 L1612 | H1604-E1608 PolarHBondContact O-N 3.49Å; E1608-L1612 VanDerWaalsContact O-CB 3.28Å; E1608-L1612 WeakPolarHBondContact O-CB 3.4Å; E1608-L1612 PolarHBondContact O-N 3.48Å |
| 1609 | Y | 75.3 | Confident | 68.9 | Low | 151 Ų | 151 | 100.8 Ų | 100.8 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.3 | -48 | 177.6 | -176.7 | -96.3 | 0 | 0 | 0 | 112.6 | E1605 L1606 V1607 Y1611 L1612 K1613 | E1605-Y1609 VanDerWaalsContact O-CB 3.23Å; E1605-Y1609 WeakPolarHBondContact O-CB 3.36Å; E1605-Y1609 PolarHBondContact O-N 2.92Å; L1606-Y1609 PolarHBondContact O-N 3Å; V1607-Y1609 VanDerWaalsContact C-N 3.33Å; Y1609-Y1611 VanDerWaalsContact C-N 3.31Å; Y1609-Y1611 PolarHBondContact O-N 2.58Å; Y1609-L1612 PolarHBondContact O-N 2.9Å; Y1609-K1613 HydrophobicContact CE1-CD 4.47Å; Y1609-K1613 VanDerWaalsContact O-CB 3.23Å; Y1609-K1613 WeakPolarHBondContact O-CB 3.4Å; Y1609-K1613 PolarHBondContact O-N 3.23Å |
| 1610 | E | 75.9 | Confident | 71 | Confident | 80 Ų | 80 | 104.7 Ų | 104.7 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -33.1 | 179.1 | -164.4 | 63.4 | -154.9 | 0 | 0 | 111.1 | L1606 K1613 N1614 | L1606-E1610 WeakPolarHBondContact O-CB 3.48Å; L1606-E1610 PolarHBondContact O-N 2.97Å; E1610-K1613 IonicContact OE1-NZ 3.21Å; E1610-K1613 PolarHBondContact OE1-NZ 3.4Å; E1610-K1613 VanDerWaalsContact OE2-CD 3.24Å; E1610-K1613 WeakPolarHBondContact OE2-CD 3.41Å; E1610-K1613 IonicContact OE2-NZ 2.67Å; E1610-K1613 PolarHBondContact OE2-NZ 3.35Å; E1610-N1614 WeakPolarHBondContact O-CB 3.07Å; E1610-N1614 PolarHBondContact O-N 2.88Å; E1610-N1614 VanDerWaalsContact O-N 3.09Å; E1610-N1614 PolarHBondContact O-ND2 3.48Å |
| 1611 | Y | 82.2 | Confident | 72.6 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 51% | 0.506 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 169.8 | -176.8 | -109.3 | 0 | 0 | 0 | 112.2 | V1607 Y1609 K1613 N1614 V1615 V1631 L1635 | V1607-Y1611 WeakPolarHBondContact O-CB 3.36Å; V1607-Y1611 PolarHBondContact O-N 3.01Å; Y1609-Y1611 VanDerWaalsContact C-N 3.31Å; Y1609-Y1611 PolarHBondContact O-N 2.58Å; Y1611-K1613 VanDerWaalsContact C-N 3.34Å; Y1611-K1613 PolarHBondContact O-N 3.31Å; Y1611-N1614 PolarHBondContact O-N 2.88Å; Y1611-V1615 HydrophobicContact CD1-CG2 4.33Å; Y1611-V1615 HydrophobicContact CD2-CG2 4.49Å; Y1611-V1615 HydrophobicContact CE1-CG2 3.94Å; Y1611-V1615 HydrophobicContact CE2-CG2 4.11Å; Y1611-V1615 WeakPolarHBondContact O-CG2 3.43Å; Y1611-V1615 PolarHBondContact O-N 3.22Å; Y1611-V1631 HydrophobicContact CE1-CG1 4.5Å; Y1611-L1635 HydrophobicContact CD1-CD1 4.01Å; Y1611-L1635 HydrophobicContact CD1-CD2 4.02Å; Y1611-L1635 HydrophobicContact CE1-CD1 3.89Å; Y1611-L1635 HydrophobicContact CE1-CD2 4.03Å; Y1611-L1635 HydrophobicContact CE1-CG 4.46Å |
| 1612 | L | 84.9 | Confident | 74.1 | Confident | 43 Ų | 43 | 98.9 Ų | 98.9 | 23% | 0.225 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 178 | 175.6 | 60.8 | 0 | 0 | 0 | 112.1 | E1608 Y1609 V1615 L1616 L1632 L1635 | E1608-L1612 VanDerWaalsContact O-CB 3.28Å; E1608-L1612 WeakPolarHBondContact O-CB 3.4Å; E1608-L1612 PolarHBondContact O-N 3.48Å; Y1609-L1612 PolarHBondContact O-N 2.9Å; L1612-V1615 PolarHBondContact O-N 3.2Å; L1612-L1616 HydrophobicContact CD1-CD1 4.23Å; L1612-L1616 HydrophobicContact CD1-CG 4.24Å; L1612-L1616 HydrophobicContact CG-CD1 4.07Å; L1612-L1616 WeakPolarHBondContact O-CB 3.41Å; L1612-L1616 WeakPolarHBondContact O-CG 3.35Å; L1612-L1616 PolarHBondContact O-N 2.98Å; L1612-L1632 HydrophobicContact CD1-CD2 3.77Å; L1612-L1635 HydrophobicContact CB-CD1 4.43Å; L1612-L1635 HydrophobicContact CD1-CB 4.1Å; L1612-L1635 HydrophobicContact CD1-CD1 3.79Å |
| 1613 | K | 81.4 | Confident | 75.8 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.9 | 175.6 | -169 | 171.1 | -155.7 | 0 | 111.7 | Y1609 E1610 Y1611 L1616 F1617 | Y1609-K1613 HydrophobicContact CE1-CD 4.47Å; Y1609-K1613 VanDerWaalsContact O-CB 3.23Å; Y1609-K1613 WeakPolarHBondContact O-CB 3.4Å; Y1609-K1613 PolarHBondContact O-N 3.23Å; E1610-K1613 IonicContact OE1-NZ 3.21Å; E1610-K1613 PolarHBondContact OE1-NZ 3.4Å; E1610-K1613 VanDerWaalsContact OE2-CD 3.24Å; E1610-K1613 WeakPolarHBondContact OE2-CD 3.41Å; E1610-K1613 IonicContact OE2-NZ 2.67Å; E1610-K1613 PolarHBondContact OE2-NZ 3.35Å; Y1611-K1613 VanDerWaalsContact C-N 3.34Å; Y1611-K1613 PolarHBondContact O-N 3.31Å; K1613-L1616 PolarHBondContact O-N 2.9Å; K1613-F1617 WeakPolarHBondContact O-CB 3.4Å; K1613-F1617 PolarHBondContact O-N 3.46Å |
| 1614 | N | 82.6 | Confident | 77.9 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 175.4 | -74.1 | -46.7 | 0 | 0 | 0 | 112.2 | E1610 Y1611 L1616 F1617 E1618 | E1610-N1614 WeakPolarHBondContact O-CB 3.07Å; E1610-N1614 PolarHBondContact O-N 2.88Å; E1610-N1614 VanDerWaalsContact O-N 3.09Å; E1610-N1614 PolarHBondContact O-ND2 3.48Å; Y1611-N1614 PolarHBondContact O-N 2.88Å; N1614-L1616 PolarHBondContact O-N 3.41Å; N1614-F1617 PolarHBondContact O-N 3.33Å; N1614-E1618 WeakPolarHBondContact O-CG 3.35Å; N1614-E1618 PolarHBondContact O-N 3.34Å |
| 1615 | V | 85.3 | Confident | 79 | Confident | 11 Ų | 11 | 91.4 Ų | 91.4 | 7% | 0.067 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 112 | Y1611 L1612 Y1619 L1628 V1631 L1632 L1635 | Y1611-V1615 HydrophobicContact CD1-CG2 4.33Å; Y1611-V1615 HydrophobicContact CD2-CG2 4.49Å; Y1611-V1615 HydrophobicContact CE1-CG2 3.94Å; Y1611-V1615 HydrophobicContact CE2-CG2 4.11Å; Y1611-V1615 WeakPolarHBondContact O-CG2 3.43Å; Y1611-V1615 PolarHBondContact O-N 3.22Å; L1612-V1615 PolarHBondContact O-N 3.2Å; V1615-Y1619 WeakPolarHBondContact O-CB 3.34Å; V1615-Y1619 PolarHBondContact O-N 2.62Å; V1615-Y1619 VanDerWaalsContact O-N 3.15Å; V1615-L1628 HydrophobicContact CG1-CD2 4.42Å; V1615-V1631 HydrophobicContact CG1-CB 4.17Å; V1615-V1631 HydrophobicContact CG1-CG1 3.88Å; V1615-V1631 HydrophobicContact CG2-CG1 4.2Å; V1615-L1632 HydrophobicContact CB-CD2 4.46Å; V1615-L1632 HydrophobicContact CG1-CD2 3.69Å; V1615-L1632 HydrophobicContact CG1-CG 3.83Å; V1615-L1635 HydrophobicContact CB-CD1 4.35Å; V1615-L1635 HydrophobicContact CG1-CD1 4.29Å; V1615-L1635 HydrophobicContact CG2-CD1 4.32Å |
| 1616 | L | 83.5 | Confident | 80.3 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 173.3 | -79.7 | 168.6 | 0 | 0 | 0 | 111.8 | L1612 K1613 N1614 Y1619 M1620 L1632 | L1612-L1616 HydrophobicContact CD1-CD1 4.23Å; L1612-L1616 HydrophobicContact CD1-CG 4.24Å; L1612-L1616 HydrophobicContact CG-CD1 4.07Å; L1612-L1616 WeakPolarHBondContact O-CB 3.41Å; L1612-L1616 WeakPolarHBondContact O-CG 3.35Å; L1612-L1616 PolarHBondContact O-N 2.98Å; K1613-L1616 PolarHBondContact O-N 2.9Å; N1614-L1616 PolarHBondContact O-N 3.41Å; L1616-Y1619 PolarHBondContact O-N 2.98Å; L1616-M1620 WeakPolarHBondContact O-CB 3.34Å; L1616-M1620 WeakPolarHBondContact O-CG 3.44Å; L1616-M1620 PolarHBondContact O-N 3.46Å; L1616-L1632 HydrophobicContact CD2-CD1 4.09Å; L1616-L1632 HydrophobicContact CD2-CD2 3.56Å; L1616-L1632 HydrophobicContact CG-CD2 3.73Å |
| 1617 | F | 82 | Confident | 81.6 | Confident | 107 Ų | 107 | 86.7 Ų | 86.7 | 47% | 0.469 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 179.7 | -178.4 | -107.9 | 0 | 0 | 0 | 112.1 | K1613 N1614 Y1619 M1620 Q1621 | K1613-F1617 WeakPolarHBondContact O-CB 3.4Å; K1613-F1617 PolarHBondContact O-N 3.46Å; N1614-F1617 PolarHBondContact O-N 3.33Å; F1617-Y1619 VanDerWaalsContact C-N 3.33Å; F1617-Y1619 PolarHBondContact O-N 2.84Å; F1617-M1620 PolarHBondContact O-N 3.42Å; F1617-Q1621 PolarHBondContact O-N 2.83Å |
| 1618 | E | 85.6 | Confident | 82.5 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 176.2 | -69.8 | -66.4 | 149.2 | 0 | 0 | 112.2 | N1614 Q1621 G1622 R1623 L1628 | N1614-E1618 WeakPolarHBondContact O-CG 3.35Å; N1614-E1618 PolarHBondContact O-N 3.34Å; E1618-Q1621 PolarHBondContact O-N 3.17Å; E1618-G1622 PolarHBondContact O-N 3.46Å; E1618-R1623 PolarHBondContact O-N 2.96Å; E1618-R1623 WeakPolarHBondContact OE2-CD 3.5Å; E1618-R1623 IonicContact OE2-CZ 2.69Å; E1618-R1623 IonicContact OE2-NE 2.69Å; E1618-R1623 PolarHBondContact OE2-NE 2.93Å; E1618-L1628 HydrophobicContact CB-CD1 3.43Å; E1618-L1628 VanDerWaalsContact CB-CD1 3.43Å |
| 1619 | Y | 87.9 | Confident | 83.3 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 173.7 | 179.3 | -102.4 | 0 | 0 | 0 | 112.3 | V1615 L1616 F1617 G1622 T1625 L1628 L1632 E1650 | V1615-Y1619 WeakPolarHBondContact O-CB 3.34Å; V1615-Y1619 PolarHBondContact O-N 2.62Å; V1615-Y1619 VanDerWaalsContact O-N 3.15Å; L1616-Y1619 PolarHBondContact O-N 2.98Å; F1617-Y1619 VanDerWaalsContact C-N 3.33Å; F1617-Y1619 PolarHBondContact O-N 2.84Å; Y1619-G1622 PolarHBondContact O-N 2.93Å; Y1619-G1622 VanDerWaalsContact O-N 3.1Å; Y1619-T1625 HydrophobicContact CD2-CG2 4.27Å; Y1619-T1625 HydrophobicContact CE2-CG2 4.36Å; Y1619-L1628 HydrophobicContact CD2-CB 4.04Å; Y1619-L1632 HydrophobicContact CD1-CD1 3.73Å; Y1619-L1632 HydrophobicContact CD2-CD1 4.05Å; Y1619-L1632 HydrophobicContact CE1-CD1 4.26Å; Y1619-L1632 HydrophobicContact CG-CD1 3.6Å; Y1619-E1650 PolarHBondContact OH-OE2 2.85Å |
| 1620 | M | 81.1 | Confident | 83.9 | Confident | 160 Ų | 160 | 75.6 Ų | 75.6 | 79% | 0.788 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.7 | -32 | 175.1 | -74.1 | 178.5 | 65.1 | 0 | 0 | 112.7 | L1616 F1617 G1622 | L1616-M1620 WeakPolarHBondContact O-CB 3.34Å; L1616-M1620 WeakPolarHBondContact O-CG 3.44Å; L1616-M1620 PolarHBondContact O-N 3.46Å; F1617-M1620 PolarHBondContact O-N 3.42Å; M1620-G1622 PolarHBondContact O-N 2.89Å |
| 1621 | Q | 79 | Confident | 84.4 | Confident | 87 Ų | 87 | 73.7 Ų | 73.7 | 41% | 0.407 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -1.7 | 168.6 | -71.9 | -158.8 | 18.6 | 0 | 0 | 113.9 | F1617 E1618 R1623 | F1617-Q1621 PolarHBondContact O-N 2.83Å; E1618-Q1621 PolarHBondContact O-N 3.17Å; Q1621-R1623 VanDerWaalsContact C-N 3.28Å; Q1621-R1623 HydrophobicContact CB-CG 4.08Å; Q1621-R1623 PolarHBondContact O-N 3.15Å; Q1621-R1623 VanDerWaalsContact OE1-CZ 3.31Å; Q1621-R1623 VanDerWaalsContact OE1-NE 3.1Å |
| 1622 | G | 79.9 | Confident | 84.7 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 10.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1618 Y1619 M1620 T1625 | E1618-G1622 PolarHBondContact O-N 3.46Å; Y1619-G1622 PolarHBondContact O-N 2.93Å; Y1619-G1622 VanDerWaalsContact O-N 3.1Å; M1620-G1622 PolarHBondContact O-N 2.89Å; G1622-T1625 WeakPolarHBondContact O-CG2 3.49Å |
| 1623 | R | 79.4 | Confident | 84.8 | Confident | 136 Ų | 136 | 66.4 Ų | 66.4 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 132.8 | 179.1 | -48.5 | -152.9 | -158.1 | 177 | -1.6 | 109.7 | E1618 Q1621 T1625 L1628 | E1618-R1623 PolarHBondContact O-N 2.96Å; E1618-R1623 WeakPolarHBondContact OE2-CD 3.5Å; E1618-R1623 IonicContact OE2-CZ 2.69Å; E1618-R1623 IonicContact OE2-NE 2.69Å; E1618-R1623 PolarHBondContact OE2-NE 2.93Å; Q1621-R1623 VanDerWaalsContact C-N 3.28Å; Q1621-R1623 HydrophobicContact CB-CG 4.08Å; Q1621-R1623 PolarHBondContact O-N 3.15Å; Q1621-R1623 VanDerWaalsContact OE1-CZ 3.31Å; Q1621-R1623 VanDerWaalsContact OE1-NE 3.1Å; R1623-T1625 PolarHBondContact O-N 3.47Å; R1623-L1628 WeakPolarHBondContact O-CD1 3.48Å |
| 1624 | E | 84 | Confident | 85 | Confident | 139 Ų | 139 | 65.9 Ų | 65.9 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.4 | 44.9 | -178.9 | -63 | -160.3 | -161.7 | 0 | 0 | 115.2 | Q1626 T1627 L1628 | E1624-Q1626 PolarHBondContact O-N 2.84Å; E1624-T1627 CarbonylContact O-C 3.59Å; E1624-T1627 WeakPolarHBondContact O-CA 3.42Å; E1624-T1627 WeakPolarHBondContact O-CB 3.43Å; E1624-T1627 PolarHBondContact O-N 2.79Å; E1624-T1627 VanDerWaalsContact OE2-CB 3.32Å; E1624-T1627 WeakPolarHBondContact OE2-CB 3.36Å; E1624-T1627 PolarHBondContact OE2-OG1 3.39Å; E1624-L1628 HydrophobicContact CB-CG 4.43Å; E1624-L1628 PolarHBondContact O-N 3.44Å |
| 1625 | T | 84.5 | Confident | 85 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -34 | -167.4 | 64 | 0 | 0 | 0 | 0 | 113.6 | Y1619 G1622 R1623 T1627 S1629 E1650 | Y1619-T1625 HydrophobicContact CD2-CG2 4.27Å; Y1619-T1625 HydrophobicContact CE2-CG2 4.36Å; G1622-T1625 WeakPolarHBondContact O-CG2 3.49Å; R1623-T1625 PolarHBondContact O-N 3.47Å; T1625-T1627 VanDerWaalsContact C-N 3.32Å; T1625-T1627 PolarHBondContact O-N 3.29Å; T1625-S1629 WeakPolarHBondContact O-CB 3.38Å; T1625-S1629 PolarHBondContact O-N 3.37Å; T1625-S1629 PolarHBondContact O-OG 3.33Å; T1625-E1650 WeakPolarHBondContact CB-OE1 3.37Å; T1625-E1650 WeakPolarHBondContact OG1-CG 3.49Å; T1625-E1650 PolarHBondContact OG1-OE1 3.31Å |
| 1626 | Q | 86.3 | Confident | 84.8 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.5 | -18.3 | 175.8 | -149.5 | -142.1 | 56.1 | 0 | 0 | 113.6 | E1624 S1629 K1630 D1651 | E1624-Q1626 PolarHBondContact O-N 2.84Å; Q1626-S1629 WeakPolarHBondContact CA-OG 3.49Å; Q1626-S1629 PolarHBondContact O-OG 3.48Å; Q1626-K1630 VanDerWaalsContact O-CD 3.31Å; Q1626-K1630 WeakPolarHBondContact O-CD 3.46Å; Q1626-K1630 WeakPolarHBondContact O-CE 3.4Å; Q1626-K1630 WeakPolarHBondContact O-CG 3.34Å; Q1626-K1630 PolarHBondContact O-NZ 3.21Å; Q1626-D1651 PolarHBondContact NE2-OD1 3.32Å |
| 1627 | T | 88 | Confident | 84.9 | Confident | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.362 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -84.5 | -53.4 | 167.8 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | E1624 T1625 S1629 K1630 V1631 | E1624-T1627 CarbonylContact O-C 3.59Å; E1624-T1627 WeakPolarHBondContact O-CA 3.42Å; E1624-T1627 WeakPolarHBondContact O-CB 3.43Å; E1624-T1627 PolarHBondContact O-N 2.79Å; E1624-T1627 VanDerWaalsContact OE2-CB 3.32Å; E1624-T1627 WeakPolarHBondContact OE2-CB 3.36Å; E1624-T1627 PolarHBondContact OE2-OG1 3.39Å; T1625-T1627 VanDerWaalsContact C-N 3.32Å; T1625-T1627 PolarHBondContact O-N 3.29Å; T1627-S1629 VanDerWaalsContact C-N 3.33Å; T1627-S1629 PolarHBondContact O-N 3.3Å; T1627-K1630 WeakPolarHBondContact O-CA 3.38Å; T1627-K1630 VanDerWaalsContact O-CB 3.29Å; T1627-K1630 WeakPolarHBondContact O-CB 3.43Å; T1627-K1630 PolarHBondContact O-N 2.86Å; T1627-V1631 PolarHBondContact O-N 3.48Å; T1627-V1631 VanDerWaalsContact O-N 3.15Å |
| 1628 | L | 90.1 | Very high | 85.1 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.4 | -32.7 | -174.3 | -60.7 | -174.8 | 0 | 0 | 0 | 112.4 | V1615 E1618 Y1619 R1623 E1624 K1630 V1631 L1632 | V1615-L1628 HydrophobicContact CG1-CD2 4.42Å; E1618-L1628 HydrophobicContact CB-CD1 3.43Å; E1618-L1628 VanDerWaalsContact CB-CD1 3.43Å; Y1619-L1628 HydrophobicContact CD2-CB 4.04Å; R1623-L1628 WeakPolarHBondContact O-CD1 3.48Å; E1624-L1628 HydrophobicContact CB-CG 4.43Å; E1624-L1628 PolarHBondContact O-N 3.44Å; L1628-K1630 VanDerWaalsContact C-N 3.27Å; L1628-K1630 PolarHBondContact O-N 3.44Å; L1628-V1631 CarbonylContact O-C 3.43Å; L1628-V1631 PolarHBondContact O-N 2.96Å; L1628-V1631 VanDerWaalsContact O-N 3.12Å; L1628-L1632 WeakPolarHBondContact O-CB 3.36Å; L1628-L1632 VanDerWaalsContact O-CG 3.29Å; L1628-L1632 WeakPolarHBondContact O-CG 3.48Å; L1628-L1632 PolarHBondContact O-N 3.31Å |
| 1629 | S | 89.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.1 | -34.3 | 169.3 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | T1625 Q1626 T1627 C1633 L1647 | T1625-S1629 WeakPolarHBondContact O-CB 3.38Å; T1625-S1629 PolarHBondContact O-N 3.37Å; T1625-S1629 PolarHBondContact O-OG 3.33Å; Q1626-S1629 WeakPolarHBondContact CA-OG 3.49Å; Q1626-S1629 PolarHBondContact O-OG 3.48Å; T1627-S1629 VanDerWaalsContact C-N 3.33Å; T1627-S1629 PolarHBondContact O-N 3.3Å; S1629-C1633 WeakPolarHBondContact O-CB 3.25Å; S1629-C1633 PolarHBondContact O-N 3.35Å; S1629-C1633 PolarHBondContact O-SG 3.26Å; S1629-L1647 WeakPolarHBondContact OG-CD2 3.46Å |
| 1630 | K | 88.5 | Confident | 85 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 173.8 | -58.7 | 168.8 | -175.3 | 124.5 | 0 | 110.8 | Q1626 T1627 L1628 S1634 L1647 | Q1626-K1630 VanDerWaalsContact O-CD 3.31Å; Q1626-K1630 WeakPolarHBondContact O-CD 3.46Å; Q1626-K1630 WeakPolarHBondContact O-CE 3.4Å; Q1626-K1630 WeakPolarHBondContact O-CG 3.34Å; Q1626-K1630 PolarHBondContact O-NZ 3.21Å; T1627-K1630 WeakPolarHBondContact O-CA 3.38Å; T1627-K1630 VanDerWaalsContact O-CB 3.29Å; T1627-K1630 WeakPolarHBondContact O-CB 3.43Å; T1627-K1630 PolarHBondContact O-N 2.86Å; L1628-K1630 VanDerWaalsContact C-N 3.27Å; L1628-K1630 PolarHBondContact O-N 3.44Å; K1630-S1634 WeakPolarHBondContact O-CB 3.43Å; K1630-S1634 PolarHBondContact O-N 2.9Å; K1630-S1634 PolarHBondContact O-OG 2.89Å; K1630-L1647 HydrophobicContact CD-CD2 4.5Å; K1630-L1647 HydrophobicContact CG-CD1 4.11Å; K1630-L1647 HydrophobicContact CG-CD2 3.5Å; K1630-L1647 VanDerWaalsContact CG-CD2 3.5Å; K1630-L1647 HydrophobicContact CG-CG 4.45Å |
| 1631 | V | 87.4 | Confident | 85.1 | Confident | 39 Ų | 39 | 71 Ų | 71 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | Y1611 V1615 T1627 L1628 S1634 L1635 | Y1611-V1631 HydrophobicContact CE1-CG1 4.5Å; V1615-V1631 HydrophobicContact CG1-CB 4.17Å; V1615-V1631 HydrophobicContact CG1-CG1 3.88Å; V1615-V1631 HydrophobicContact CG2-CG1 4.2Å; T1627-V1631 PolarHBondContact O-N 3.48Å; T1627-V1631 VanDerWaalsContact O-N 3.15Å; L1628-V1631 CarbonylContact O-C 3.43Å; L1628-V1631 PolarHBondContact O-N 2.96Å; L1628-V1631 VanDerWaalsContact O-N 3.12Å; V1631-S1634 CarbonylContact O-C 3.18Å; V1631-S1634 WeakPolarHBondContact O-CA 3.34Å; V1631-S1634 WeakPolarHBondContact O-CB 3.37Å; V1631-S1634 PolarHBondContact O-N 3.41Å; V1631-L1635 HydrophobicContact CG1-CD1 3.88Å; V1631-L1635 HydrophobicContact CG1-CG 4.23Å; V1631-L1635 WeakPolarHBondContact O-CG 3.49Å; V1631-L1635 PolarHBondContact O-N 3.22Å |
| 1632 | L | 87.1 | Confident | 85.3 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.2 | -71.4 | 171.8 | 0 | 0 | 0 | 112.3 | L1612 V1615 L1616 Y1619 L1628 S1634 L1635 M1636 | L1612-L1632 HydrophobicContact CD1-CD2 3.77Å; V1615-L1632 HydrophobicContact CB-CD2 4.46Å; V1615-L1632 HydrophobicContact CG1-CD2 3.69Å; V1615-L1632 HydrophobicContact CG1-CG 3.83Å; L1616-L1632 HydrophobicContact CD2-CD1 4.09Å; L1616-L1632 HydrophobicContact CD2-CD2 3.56Å; L1616-L1632 HydrophobicContact CG-CD2 3.73Å; Y1619-L1632 HydrophobicContact CD1-CD1 3.73Å; Y1619-L1632 HydrophobicContact CD2-CD1 4.05Å; Y1619-L1632 HydrophobicContact CE1-CD1 4.26Å; Y1619-L1632 HydrophobicContact CG-CD1 3.6Å; L1628-L1632 WeakPolarHBondContact O-CB 3.36Å; L1628-L1632 VanDerWaalsContact O-CG 3.29Å; L1628-L1632 WeakPolarHBondContact O-CG 3.48Å; L1628-L1632 PolarHBondContact O-N 3.31Å; L1632-S1634 PolarHBondContact O-N 3.46Å; L1632-L1635 PolarHBondContact O-N 2.91Å; L1632-M1636 WeakPolarHBondContact O-CB 3.38Å; L1632-M1636 WeakPolarHBondContact O-CG 3.31Å; L1632-M1636 PolarHBondContact O-N 2.89Å |
| 1633 | C | 88.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 173.9 | -70.4 | 0 | 0 | 0 | 0 | 112 | S1629 R1637 F1638 T1643 | S1629-C1633 WeakPolarHBondContact O-CB 3.25Å; S1629-C1633 PolarHBondContact O-N 3.35Å; S1629-C1633 PolarHBondContact O-SG 3.26Å; C1633-R1637 PolarHBondContact O-N 3.46Å; C1633-F1638 HydrophobicContact CB-CB 4.14Å; C1633-F1638 HydrophobicContact CB-CD2 4.26Å; C1633-F1638 PolarHBondContact O-N 3.31Å; C1633-T1643 HydrophobicContact CB-CG2 3.89Å |
| 1634 | S | 85.3 | Confident | 85.9 | Confident | 88 Ų | 88 | 69.8 Ų | 69.8 | 62% | 0.615 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -75.4 | -47.2 | 178.2 | -54.5 | 0 | 0 | 0 | 0 | 112 | K1630 V1631 L1632 R1637 | K1630-S1634 WeakPolarHBondContact O-CB 3.43Å; K1630-S1634 PolarHBondContact O-N 2.9Å; K1630-S1634 PolarHBondContact O-OG 2.89Å; V1631-S1634 CarbonylContact O-C 3.18Å; V1631-S1634 WeakPolarHBondContact O-CA 3.34Å; V1631-S1634 WeakPolarHBondContact O-CB 3.37Å; V1631-S1634 PolarHBondContact O-N 3.41Å; L1632-S1634 PolarHBondContact O-N 3.46Å; S1634-R1637 PolarHBondContact O-N 3.1Å; S1634-R1637 VanDerWaalsContact O-N 3.14Å |
| 1635 | L | 81.8 | Confident | 86.1 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 177.6 | -72.1 | 172.3 | 0 | 0 | 0 | 111.7 | Y1611 L1612 V1615 V1631 L1632 R1637 | Y1611-L1635 HydrophobicContact CD1-CD1 4.01Å; Y1611-L1635 HydrophobicContact CD1-CD2 4.02Å; Y1611-L1635 HydrophobicContact CE1-CD1 3.89Å; Y1611-L1635 HydrophobicContact CE1-CD2 4.03Å; Y1611-L1635 HydrophobicContact CE1-CG 4.46Å; L1612-L1635 HydrophobicContact CB-CD1 4.43Å; L1612-L1635 HydrophobicContact CD1-CB 4.1Å; L1612-L1635 HydrophobicContact CD1-CD1 3.79Å; V1615-L1635 HydrophobicContact CB-CD1 4.35Å; V1615-L1635 HydrophobicContact CG1-CD1 4.29Å; V1615-L1635 HydrophobicContact CG2-CD1 4.32Å; V1631-L1635 HydrophobicContact CG1-CD1 3.88Å; V1631-L1635 HydrophobicContact CG1-CG 4.23Å; V1631-L1635 WeakPolarHBondContact O-CG 3.49Å; V1631-L1635 PolarHBondContact O-N 3.22Å; L1632-L1635 PolarHBondContact O-N 2.91Å; L1635-R1637 PolarHBondContact O-N 3.43Å |
| 1636 | M | 82.3 | Confident | 86.1 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 4.4 | 175.8 | -59.7 | -151.2 | 76.1 | 0 | 0 | 113.6 | L1632 F1638 | L1632-M1636 WeakPolarHBondContact O-CB 3.38Å; L1632-M1636 WeakPolarHBondContact O-CG 3.31Å; L1632-M1636 PolarHBondContact O-N 2.89Å; M1636-F1638 HydrophobicContact CB-CD1 3.68Å; M1636-F1638 HydrophobicContact CB-CE1 3.51Å; M1636-F1638 HydrophobicContact CB-CZ 4.24Å; M1636-F1638 HydrophobicContact CG-CE1 4.38Å; M1636-F1638 PolarHBondContact O-N 2.97Å; M1636-F1638 VanDerWaalsContact O-N 3.15Å; M1636-F1638 HydrophobicContact SD-CE1 4.12Å; M1636-F1638 HydrophobicContact SD-CZ 4.19Å |
| 1637 | R | 84.6 | Confident | 86.3 | Confident | 207 Ų | 207 | 69.5 Ų | 69.5 | 78% | 0.781 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.6 | 176.3 | -52.8 | -178.4 | -173.8 | 178.7 | 2.9 | 113.3 | C1633 S1634 L1635 N1639 | C1633-R1637 PolarHBondContact O-N 3.46Å; S1634-R1637 PolarHBondContact O-N 3.1Å; S1634-R1637 VanDerWaalsContact O-N 3.14Å; L1635-R1637 PolarHBondContact O-N 3.43Å; R1637-N1639 PolarHBondContact O-N 3.24Å |
| 1638 | F | 87.3 | Confident | 86.2 | Confident | 55 Ų | 55 | 70 Ų | 70 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | trans | -60 | 134.8 | 178.1 | -78.8 | 8.1 | 0 | 0 | 0 | 110.5 | C1633 M1636 Q1642 T1643 V1646 | C1633-F1638 HydrophobicContact CB-CB 4.14Å; C1633-F1638 HydrophobicContact CB-CD2 4.26Å; C1633-F1638 PolarHBondContact O-N 3.31Å; M1636-F1638 HydrophobicContact CB-CD1 3.68Å; M1636-F1638 HydrophobicContact CB-CE1 3.51Å; M1636-F1638 HydrophobicContact CB-CZ 4.24Å; M1636-F1638 HydrophobicContact CG-CE1 4.38Å; M1636-F1638 PolarHBondContact O-N 2.97Å; M1636-F1638 VanDerWaalsContact O-N 3.15Å; M1636-F1638 HydrophobicContact SD-CE1 4.12Å; M1636-F1638 HydrophobicContact SD-CZ 4.19Å; F1638-Q1642 HydrophobicContact CB-CB 3.86Å; F1638-Q1642 HydrophobicContact CD2-CB 4.17Å; F1638-Q1642 HydrophobicContact CG-CB 4.12Å; F1638-T1643 PolarHBondContact O-OG1 2.83Å; F1638-V1646 HydrophobicContact CD2-CG2 4.11Å; F1638-V1646 HydrophobicContact CE2-CG2 3.96Å | ||
| 1639 | N | 85.9 | Confident | 86.1 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | trans | -65.1 | 166.1 | 177.5 | 73 | 46.2 | 0 | 0 | 0 | 111.4 | R1637 D1641 Q1642 T1643 | R1637-N1639 PolarHBondContact O-N 3.24Å; N1639-D1641 PolarHBondContact O-N 3.42Å; N1639-D1641 VanDerWaalsContact O-N 3.09Å; N1639-D1641 WeakPolarHBondContact OD1-CB 3.49Å; N1639-D1641 PolarHBondContact OD1-N 3.36Å; N1639-Q1642 VanDerWaalsContact CG-OE1 3.22Å; N1639-Q1642 PolarHBondContact ND2-OE1 2.9Å; N1639-Q1642 VanDerWaalsContact ND2-OE1 3.09Å; N1639-Q1642 PolarHBondContact O-N 3.31Å; N1639-Q1642 VanDerWaalsContact O-N 3.17Å; N1639-Q1642 PolarHBondContact OD1-N 3.15Å; N1639-T1643 WeakPolarHBondContact O-CB 3.4Å; N1639-T1643 PolarHBondContact O-N 2.88Å; N1639-T1643 PolarHBondContact O-OG1 3.47Å; N1639-T1643 VanDerWaalsContact O-OG1 3.06Å | ||
| 1640 | A | 84 | Confident | 86.1 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 60% | 0.595 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.3 | -22.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1644 | A1640-R1644 VanDerWaalsContact O-CB 3.32Å; A1640-R1644 WeakPolarHBondContact O-CB 3.29Å; A1640-R1644 PolarHBondContact O-N 3.45Å; A1640-R1644 PolarHBondContact O-NH2 3.43Å; A1640-R1644 VanDerWaalsContact O-NH2 3.11Å |
| 1641 | D | 82.9 | Confident | 85.9 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -85.5 | -40 | 176.3 | -73.6 | -8.3 | 0 | 0 | 0 | 112.1 | N1639 R1644 K1645 | N1639-D1641 PolarHBondContact O-N 3.42Å; N1639-D1641 VanDerWaalsContact O-N 3.09Å; N1639-D1641 WeakPolarHBondContact OD1-CB 3.49Å; N1639-D1641 PolarHBondContact OD1-N 3.36Å; D1641-R1644 PolarHBondContact O-N 2.87Å; D1641-R1644 IonicContact OD1-CZ 2.66Å; D1641-R1644 IonicContact OD1-NH1 2.65Å; D1641-R1644 PolarHBondContact OD1-NH1 3.04Å; D1641-R1644 IonicContact OD1-NH2 3.19Å; D1641-R1644 PolarHBondContact OD1-NH2 2.94Å; D1641-K1645 WeakPolarHBondContact O-CG 3.27Å; D1641-K1645 PolarHBondContact O-N 2.92Å |
| 1642 | Q | 84.9 | Confident | 85.7 | Confident | 75 Ų | 75 | 78 Ų | 78 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -50.9 | 170.4 | -74 | 169.6 | -48.4 | 0 | 0 | 110.5 | F1638 N1639 R1644 K1645 V1646 | F1638-Q1642 HydrophobicContact CB-CB 3.86Å; F1638-Q1642 HydrophobicContact CD2-CB 4.17Å; F1638-Q1642 HydrophobicContact CG-CB 4.12Å; N1639-Q1642 VanDerWaalsContact CG-OE1 3.22Å; N1639-Q1642 PolarHBondContact ND2-OE1 2.9Å; N1639-Q1642 VanDerWaalsContact ND2-OE1 3.09Å; N1639-Q1642 PolarHBondContact O-N 3.31Å; N1639-Q1642 VanDerWaalsContact O-N 3.17Å; N1639-Q1642 PolarHBondContact OD1-N 3.15Å; Q1642-R1644 VanDerWaalsContact C-N 3.3Å; Q1642-R1644 PolarHBondContact O-N 3.41Å; Q1642-K1645 WeakPolarHBondContact O-CB 3.24Å; Q1642-K1645 PolarHBondContact O-N 3.21Å; Q1642-K1645 VanDerWaalsContact O-N 3.11Å; Q1642-V1646 WeakPolarHBondContact O-CG2 3.31Å; Q1642-V1646 PolarHBondContact O-N 3.11Å |
| 1643 | T | 85.5 | Confident | 85.5 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.2 | -45.6 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 111 | C1633 F1638 N1639 K1645 V1646 L1647 | C1633-T1643 HydrophobicContact CB-CG2 3.89Å; F1638-T1643 PolarHBondContact O-OG1 2.83Å; N1639-T1643 WeakPolarHBondContact O-CB 3.4Å; N1639-T1643 PolarHBondContact O-N 2.88Å; N1639-T1643 PolarHBondContact O-OG1 3.47Å; N1639-T1643 VanDerWaalsContact O-OG1 3.06Å; T1643-K1645 PolarHBondContact O-N 2.79Å; T1643-V1646 PolarHBondContact O-N 2.83Å; T1643-L1647 HydrophobicContact CG2-CD1 3.88Å; T1643-L1647 HydrophobicContact CG2-CG 4.41Å; T1643-L1647 WeakPolarHBondContact O-CB 3.46Å; T1643-L1647 VanDerWaalsContact O-CG 3.26Å; T1643-L1647 WeakPolarHBondContact O-CG 3.26Å; T1643-L1647 PolarHBondContact O-N 3.49Å |
| 1644 | R | 86.4 | Confident | 84.9 | Confident | 135 Ų | 135 | 83.4 Ų | 83.4 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.4 | -162.7 | -174.6 | -44.1 | 106.9 | 17.8 | 112.6 | A1640 D1641 Q1642 T1648 | A1640-R1644 VanDerWaalsContact O-CB 3.32Å; A1640-R1644 WeakPolarHBondContact O-CB 3.29Å; A1640-R1644 PolarHBondContact O-N 3.45Å; A1640-R1644 PolarHBondContact O-NH2 3.43Å; A1640-R1644 VanDerWaalsContact O-NH2 3.11Å; D1641-R1644 PolarHBondContact O-N 2.87Å; D1641-R1644 IonicContact OD1-CZ 2.66Å; D1641-R1644 IonicContact OD1-NH1 2.65Å; D1641-R1644 PolarHBondContact OD1-NH1 3.04Å; D1641-R1644 IonicContact OD1-NH2 3.19Å; D1641-R1644 PolarHBondContact OD1-NH2 2.94Å; Q1642-R1644 VanDerWaalsContact C-N 3.3Å; Q1642-R1644 PolarHBondContact O-N 3.41Å; R1644-T1648 VanDerWaalsContact O-CB 3.32Å; R1644-T1648 WeakPolarHBondContact O-CB 3.45Å; R1644-T1648 PolarHBondContact O-N 2.87Å; R1644-T1648 PolarHBondContact O-OG1 3.42Å |
| 1645 | K | 87.6 | Confident | 84.5 | Confident | 157 Ų | 157 | 84.4 Ų | 84.4 | 68% | 0.683 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.5 | -49.9 | 175.7 | -76.6 | 175.9 | 178.3 | -176.8 | 0 | 111.6 | D1641 Q1642 T1643 L1647 T1648 Y1649 | D1641-K1645 WeakPolarHBondContact O-CG 3.27Å; D1641-K1645 PolarHBondContact O-N 2.92Å; Q1642-K1645 WeakPolarHBondContact O-CB 3.24Å; Q1642-K1645 PolarHBondContact O-N 3.21Å; Q1642-K1645 VanDerWaalsContact O-N 3.11Å; T1643-K1645 PolarHBondContact O-N 2.79Å; K1645-L1647 PolarHBondContact O-N 3.02Å; K1645-T1648 PolarHBondContact O-N 2.93Å; K1645-Y1649 WeakPolarHBondContact O-CB 3.38Å; K1645-Y1649 PolarHBondContact O-N 3.2Å |
| 1646 | V | 85.2 | Confident | 84 | Confident | 40 Ų | 40 | 86.1 Ų | 86.1 | 24% | 0.242 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.1 | -49 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | F1638 Q1642 T1643 T1648 Y1649 E1650 | F1638-V1646 HydrophobicContact CD2-CG2 4.11Å; F1638-V1646 HydrophobicContact CE2-CG2 3.96Å; Q1642-V1646 WeakPolarHBondContact O-CG2 3.31Å; Q1642-V1646 PolarHBondContact O-N 3.11Å; T1643-V1646 PolarHBondContact O-N 2.83Å; V1646-T1648 VanDerWaalsContact C-N 3.34Å; V1646-T1648 PolarHBondContact O-N 3.43Å; V1646-Y1649 PolarHBondContact O-N 2.75Å; V1646-E1650 PolarHBondContact O-N 3.32Å |
| 1647 | L | 88.6 | Confident | 83.2 | Confident | 41 Ų | 41 | 90.4 Ų | 90.4 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65 | -36.7 | 179.1 | -64.6 | 176 | 0 | 0 | 0 | 112.4 | S1629 K1630 T1643 K1645 D1651 | S1629-L1647 WeakPolarHBondContact OG-CD2 3.46Å; K1630-L1647 HydrophobicContact CD-CD2 4.5Å; K1630-L1647 HydrophobicContact CG-CD1 4.11Å; K1630-L1647 HydrophobicContact CG-CD2 3.5Å; K1630-L1647 VanDerWaalsContact CG-CD2 3.5Å; K1630-L1647 HydrophobicContact CG-CG 4.45Å; T1643-L1647 HydrophobicContact CG2-CD1 3.88Å; T1643-L1647 HydrophobicContact CG2-CG 4.41Å; T1643-L1647 WeakPolarHBondContact O-CB 3.46Å; T1643-L1647 VanDerWaalsContact O-CG 3.26Å; T1643-L1647 WeakPolarHBondContact O-CG 3.26Å; T1643-L1647 PolarHBondContact O-N 3.49Å; K1645-L1647 PolarHBondContact O-N 3.02Å; L1647-D1651 WeakPolarHBondContact O-CB 3.46Å; L1647-D1651 PolarHBondContact O-N 3.43Å |
| 1648 | T | 87 | Confident | 82.4 | Confident | 69 Ų | 69 | 84.7 Ų | 84.7 | 42% | 0.423 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 175.9 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | R1644 K1645 V1646 Q1652 | R1644-T1648 VanDerWaalsContact O-CB 3.32Å; R1644-T1648 WeakPolarHBondContact O-CB 3.45Å; R1644-T1648 PolarHBondContact O-N 2.87Å; R1644-T1648 PolarHBondContact O-OG1 3.42Å; K1645-T1648 PolarHBondContact O-N 2.93Å; V1646-T1648 VanDerWaalsContact C-N 3.34Å; V1646-T1648 PolarHBondContact O-N 3.43Å; T1648-Q1652 WeakPolarHBondContact O-CB 3.28Å; T1648-Q1652 VanDerWaalsContact O-CG 3.31Å; T1648-Q1652 WeakPolarHBondContact O-CG 3.36Å; T1648-Q1652 PolarHBondContact O-N 2.9Å |
| 1649 | Y | 88.4 | Confident | 81.2 | Confident | 148 Ų | 148 | 86.9 Ų | 86.9 | 58% | 0.58 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.4 | -45.8 | 175 | 177.9 | -100.2 | 0 | 0 | 0 | 111.4 | K1645 V1646 D1651 Q1652 K1653 | K1645-Y1649 WeakPolarHBondContact O-CB 3.38Å; K1645-Y1649 PolarHBondContact O-N 3.2Å; V1646-Y1649 PolarHBondContact O-N 2.75Å; Y1649-D1651 VanDerWaalsContact C-N 3.33Å; Y1649-D1651 PolarHBondContact O-N 3.15Å; Y1649-Q1652 CarbonylContact O-C 3.56Å; Y1649-Q1652 WeakPolarHBondContact O-CB 3.45Å; Y1649-Q1652 PolarHBondContact O-N 3.07Å; Y1649-Q1652 VanDerWaalsContact O-N 3.07Å; Y1649-K1653 HydrophobicContact CE1-CD 4.12Å; Y1649-K1653 WeakPolarHBondContact O-CB 3.47Å; Y1649-K1653 PolarHBondContact O-N 3.49Å |
| 1650 | E | 88 | Confident | 79.8 | Confident | 3 Ų | 3 | 90.2 Ų | 90.2 | 1% | 0.014 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66 | -38.2 | 177.8 | -162.2 | 58.2 | -154.3 | 0 | 0 | 110.8 | Y1619 T1625 V1646 Q1652 K1653 S1654 | Y1619-E1650 PolarHBondContact OH-OE2 2.85Å; T1625-E1650 WeakPolarHBondContact CB-OE1 3.37Å; T1625-E1650 WeakPolarHBondContact OG1-CG 3.49Å; T1625-E1650 PolarHBondContact OG1-OE1 3.31Å; V1646-E1650 PolarHBondContact O-N 3.32Å; E1650-Q1652 VanDerWaalsContact C-N 3.27Å; E1650-Q1652 PolarHBondContact O-N 3.29Å; E1650-K1653 PolarHBondContact O-N 2.97Å; E1650-K1653 IonicContact OE1-NZ 2.64Å; E1650-K1653 PolarHBondContact OE1-NZ 3.07Å; E1650-K1653 WeakPolarHBondContact OE2-CD 3.35Å; E1650-K1653 IonicContact OE2-NZ 2.72Å; E1650-K1653 PolarHBondContact OE2-NZ 3.37Å; E1650-S1654 WeakPolarHBondContact O-CB 3.46Å; E1650-S1654 PolarHBondContact O-N 3.31Å; E1650-S1654 PolarHBondContact O-OG 2.86Å |
| 1651 | D | 84.4 | Confident | 78.5 | Confident | 56 Ų | 56 | 90.6 Ų | 90.6 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -30.8 | 170.6 | -117.3 | 58.2 | 0 | 0 | 0 | 113.7 | Q1626 L1647 Y1649 K1655 | Q1626-D1651 PolarHBondContact NE2-OD1 3.32Å; L1647-D1651 WeakPolarHBondContact O-CB 3.46Å; L1647-D1651 PolarHBondContact O-N 3.43Å; Y1649-D1651 VanDerWaalsContact C-N 3.33Å; Y1649-D1651 PolarHBondContact O-N 3.15Å; D1651-K1655 WeakPolarHBondContact O-CD 3.39Å; D1651-K1655 WeakPolarHBondContact O-CG 3.4Å; D1651-K1655 PolarHBondContact O-N 3.3Å; D1651-K1655 PolarHBondContact O-NZ 3.47Å; D1651-K1655 IonicContact OD2-NZ 3.7Å; D1651-K1655 PolarHBondContact OD2-NZ 2.98Å |
| 1652 | Q | 84.6 | Confident | 77.1 | Confident | 114 Ų | 114 | 89.9 Ų | 89.9 | 53% | 0.533 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -79.3 | -46.1 | 175.1 | -78.1 | 175.8 | -2.4 | 0 | 0 | 110.9 | T1648 Y1649 E1650 S1654 K1655 T1656 | T1648-Q1652 WeakPolarHBondContact O-CB 3.28Å; T1648-Q1652 VanDerWaalsContact O-CG 3.31Å; T1648-Q1652 WeakPolarHBondContact O-CG 3.36Å; T1648-Q1652 PolarHBondContact O-N 2.9Å; Y1649-Q1652 CarbonylContact O-C 3.56Å; Y1649-Q1652 WeakPolarHBondContact O-CB 3.45Å; Y1649-Q1652 PolarHBondContact O-N 3.07Å; Y1649-Q1652 VanDerWaalsContact O-N 3.07Å; E1650-Q1652 VanDerWaalsContact C-N 3.27Å; E1650-Q1652 PolarHBondContact O-N 3.29Å; Q1652-S1654 PolarHBondContact O-N 3.34Å; Q1652-K1655 CarbonylContact O-C 3.59Å; Q1652-K1655 PolarHBondContact O-N 3.17Å; Q1652-K1655 VanDerWaalsContact O-N 3.14Å; Q1652-T1656 WeakPolarHBondContact O-CB 3.39Å; Q1652-T1656 PolarHBondContact O-N 3.39Å; Q1652-T1656 PolarHBondContact O-OG1 2.87Å; Q1652-T1656 VanDerWaalsContact O-OG1 3.05Å |
| 1653 | K | 82.3 | Confident | 75.4 | Confident | 87 Ų | 87 | 94.1 Ų | 94.1 | 38% | 0.378 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 175.7 | 171.9 | 170.7 | 156 | -111.2 | 0 | 111.5 | Y1649 E1650 K1655 T1656 W1657 | Y1649-K1653 HydrophobicContact CE1-CD 4.12Å; Y1649-K1653 WeakPolarHBondContact O-CB 3.47Å; Y1649-K1653 PolarHBondContact O-N 3.49Å; E1650-K1653 PolarHBondContact O-N 2.97Å; E1650-K1653 IonicContact OE1-NZ 2.64Å; E1650-K1653 PolarHBondContact OE1-NZ 3.07Å; E1650-K1653 WeakPolarHBondContact OE2-CD 3.35Å; E1650-K1653 IonicContact OE2-NZ 2.72Å; E1650-K1653 PolarHBondContact OE2-NZ 3.37Å; K1653-K1655 PolarHBondContact O-N 3.19Å; K1653-T1656 PolarHBondContact O-N 2.9Å; K1653-W1657 WeakPolarHBondContact O-CB 3.44Å; K1653-W1657 PolarHBondContact O-N 3.49Å |
| 1654 | S | 75.6 | Confident | 73 | Confident | 45 Ų | 45 | 99.7 Ų | 99.7 | 32% | 0.315 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.1 | -48.5 | 173 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | E1650 Q1652 W1657 T1658 | E1650-S1654 WeakPolarHBondContact O-CB 3.46Å; E1650-S1654 PolarHBondContact O-N 3.31Å; E1650-S1654 PolarHBondContact O-OG 2.86Å; Q1652-S1654 PolarHBondContact O-N 3.34Å; S1654-W1657 PolarHBondContact O-N 2.97Å; S1654-T1658 PolarHBondContact O-N 2.89Å; S1654-T1658 PolarHBondContact O-OG1 2.94Å |
| 1655 | K | 76.4 | Confident | 72.3 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 178.8 | -70.3 | 176.2 | -165.3 | 92.2 | 0 | 112.7 | D1651 Q1652 K1653 W1657 T1658 I1659 | D1651-K1655 WeakPolarHBondContact O-CD 3.39Å; D1651-K1655 WeakPolarHBondContact O-CG 3.4Å; D1651-K1655 PolarHBondContact O-N 3.3Å; D1651-K1655 PolarHBondContact O-NZ 3.47Å; D1651-K1655 IonicContact OD2-NZ 3.7Å; D1651-K1655 PolarHBondContact OD2-NZ 2.98Å; Q1652-K1655 CarbonylContact O-C 3.59Å; Q1652-K1655 PolarHBondContact O-N 3.17Å; Q1652-K1655 VanDerWaalsContact O-N 3.14Å; K1653-K1655 PolarHBondContact O-N 3.19Å; K1655-W1657 VanDerWaalsContact C-N 3.35Å; K1655-T1658 PolarHBondContact O-N 3.4Å; K1655-I1659 WeakPolarHBondContact O-CB 3.41Å; K1655-I1659 WeakPolarHBondContact O-CD1 3.26Å; K1655-I1659 VanDerWaalsContact O-CG1 3.24Å; K1655-I1659 WeakPolarHBondContact O-CG1 3.24Å; K1655-I1659 PolarHBondContact O-N 3.1Å |
| 1656 | T | 72.6 | Confident | 71.5 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66 | -37.8 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | Q1652 K1653 I1659 R1660 | Q1652-T1656 WeakPolarHBondContact O-CB 3.39Å; Q1652-T1656 PolarHBondContact O-N 3.39Å; Q1652-T1656 PolarHBondContact O-OG1 2.87Å; Q1652-T1656 VanDerWaalsContact O-OG1 3.05Å; K1653-T1656 PolarHBondContact O-N 2.9Å; T1656-I1659 PolarHBondContact O-N 3.05Å; T1656-R1660 WeakPolarHBondContact O-CB 3.47Å; T1656-R1660 PolarHBondContact O-N 3.23Å |
| 1657 | W | 64.6 | Low | 70.8 | Confident | 181 Ų | 181 | 97.8 Ų | 97.8 | 69% | 0.686 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -49.6 | 172.8 | -169.1 | 70.2 | 0 | 0 | 0 | 111 | K1653 S1654 K1655 I1659 R1660 T1661 | K1653-W1657 WeakPolarHBondContact O-CB 3.44Å; K1653-W1657 PolarHBondContact O-N 3.49Å; S1654-W1657 PolarHBondContact O-N 2.97Å; K1655-W1657 VanDerWaalsContact C-N 3.35Å; W1657-I1659 VanDerWaalsContact C-N 3.26Å; W1657-I1659 PolarHBondContact O-N 3.36Å; W1657-R1660 PolarHBondContact O-N 2.84Å; W1657-T1661 PolarHBondContact O-N 2.87Å; W1657-T1661 PolarHBondContact O-OG1 2.96Å; W1657-T1661 VanDerWaalsContact O-OG1 3.09Å |
| 1658 | T | 67.3 | Low | 69.7 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -32.3 | 175.2 | -49.4 | 0 | 0 | 0 | 0 | 113.4 | S1654 K1655 A1662 | S1654-T1658 PolarHBondContact O-N 2.89Å; S1654-T1658 PolarHBondContact O-OG1 2.94Å; K1655-T1658 PolarHBondContact O-N 3.4Å; T1658-A1662 VanDerWaalsContact O-CB 3.3Å; T1658-A1662 WeakPolarHBondContact O-CB 3.44Å; T1658-A1662 PolarHBondContact O-N 3.21Å |
| 1659 | I | 63.9 | Low | 68.6 | Low | 101 Ų | 101 | 103.2 Ų | 103.2 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.6 | -40.8 | 173.9 | -72.8 | 161.4 | 0 | 0 | 0 | 111 | K1655 T1656 W1657 A1662 M1663 | K1655-I1659 WeakPolarHBondContact O-CB 3.41Å; K1655-I1659 WeakPolarHBondContact O-CD1 3.26Å; K1655-I1659 VanDerWaalsContact O-CG1 3.24Å; K1655-I1659 WeakPolarHBondContact O-CG1 3.24Å; K1655-I1659 PolarHBondContact O-N 3.1Å; T1656-I1659 PolarHBondContact O-N 3.05Å; W1657-I1659 VanDerWaalsContact C-N 3.26Å; W1657-I1659 PolarHBondContact O-N 3.36Å; I1659-A1662 CarbonylContact O-C 3.59Å; I1659-A1662 PolarHBondContact O-N 3.05Å; I1659-M1663 HydrophobicContact CG2-CG 4.4Å; I1659-M1663 HydrophobicContact CG2-SD 3.83Å; I1659-M1663 VanDerWaalsContact O-CG 3.32Å; I1659-M1663 WeakPolarHBondContact O-CG 3.4Å; I1659-M1663 PolarHBondContact O-N 3.26Å |
| 1660 | R | 55 | Low | 67.3 | Low | 155 Ų | 155 | 100.2 Ų | 100.2 | 59% | 0.585 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.6 | -51.9 | 175.8 | 168.3 | 171.2 | -90.2 | 164.4 | -2.1 | 110.8 | T1656 W1657 A1662 M1663 E1664 | T1656-R1660 WeakPolarHBondContact O-CB 3.47Å; T1656-R1660 PolarHBondContact O-N 3.23Å; W1657-R1660 PolarHBondContact O-N 2.84Å; R1660-A1662 PolarHBondContact O-N 3.05Å; R1660-M1663 PolarHBondContact O-N 3.06Å; R1660-E1664 VanDerWaalsContact CD-OE1 3.23Å; R1660-E1664 WeakPolarHBondContact CD-OE1 3.48Å; R1660-E1664 HydrophobicContact CG-CG 4.44Å; R1660-E1664 WeakPolarHBondContact CG-OE1 3.33Å; R1660-E1664 WeakPolarHBondContact CG-OE2 3.47Å; R1660-E1664 IonicContact NE-OE1 2.65Å; R1660-E1664 PolarHBondContact NE-OE1 3.17Å; R1660-E1664 WeakPolarHBondContact O-CB 3.32Å; R1660-E1664 PolarHBondContact O-N 3.36Å |
| 1661 | T | 56.9 | Low | 65.9 | Low | 79 Ų | 79 | 107.1 Ų | 107.1 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 16.2 | 175.6 | -36.7 | 0 | 0 | 0 | 0 | 113.6 | W1657 | W1657-T1661 PolarHBondContact O-N 2.87Å; W1657-T1661 PolarHBondContact O-OG1 2.96Å; W1657-T1661 VanDerWaalsContact O-OG1 3.09Å |
| 1662 | A | 55 | Low | 64.4 | Low | 76 Ų | 76 | 111.1 Ų | 111.1 | 63% | 0.628 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 15 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | T1658 I1659 R1660 | T1658-A1662 VanDerWaalsContact O-CB 3.3Å; T1658-A1662 WeakPolarHBondContact O-CB 3.44Å; T1658-A1662 PolarHBondContact O-N 3.21Å; I1659-A1662 CarbonylContact O-C 3.59Å; I1659-A1662 PolarHBondContact O-N 3.05Å; R1660-A1662 PolarHBondContact O-N 3.05Å |
| 1663 | M | 47.7 | Very low | 62.7 | Low | 163 Ų | 163 | 110.8 Ų | 110.8 | 80% | 0.803 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | -29.4 | 173.8 | -70.9 | -173.4 | 109.7 | 0 | 0 | 111.2 | I1659 R1660 | I1659-M1663 HydrophobicContact CG2-CG 4.4Å; I1659-M1663 HydrophobicContact CG2-SD 3.83Å; I1659-M1663 VanDerWaalsContact O-CG 3.32Å; I1659-M1663 WeakPolarHBondContact O-CG 3.4Å; I1659-M1663 PolarHBondContact O-N 3.26Å; R1660-M1663 PolarHBondContact O-N 3.06Å |
| 1664 | E | 35.7 | Very low | 61 | Low | 152 Ų | 152 | 113 Ų | 113 | 71% | 0.71 | 58% | 0.575 | S | S | * | * | trans | -68.5 | 0 | 146.5 | -71.1 | 150.7 | -164 | 0 | 0 | 110.4 | R1660 | R1660-E1664 VanDerWaalsContact CD-OE1 3.23Å; R1660-E1664 WeakPolarHBondContact CD-OE1 3.48Å; R1660-E1664 HydrophobicContact CG-CG 4.44Å; R1660-E1664 WeakPolarHBondContact CG-OE1 3.33Å; R1660-E1664 WeakPolarHBondContact CG-OE2 3.47Å; R1660-E1664 IonicContact NE-OE1 2.65Å; R1660-E1664 PolarHBondContact NE-OE1 3.17Å; R1660-E1664 WeakPolarHBondContact O-CB 3.32Å; R1660-E1664 PolarHBondContact O-N 3.36Å |
Retrieved 1,664 of 1,664 residues in 399.3 ms
(Link to these results)