| 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 | Very low | 35.1 | Very low | 239 Ų | 239 | 143.8 Ų | 143.8 | 100% | 1.177 | 82% | 0.821 | S | S | * | * | 0 | 102.9 | 0 | -80.3 | 160.4 | 153.7 | 0 | 0 | 108.2 | |||||
| 2 | C | 36 | Very low | 35.3 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 91% | 0.905 | 83% | 0.829 | S | S | * | * | trans | -145.2 | 119.8 | 162.2 | -87.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | H | 34 | Very low | 35.7 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -72.6 | 143.5 | -175.9 | -84.5 | -101.7 | 0 | 0 | 0 | 111.6 | ||||
| 4 | K | 34.9 | Very low | 36.1 | Very low | 203 Ų | 203 | 144.8 Ų | 144.8 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -56.4 | 129.4 | 162.4 | -76.7 | 175.9 | 173.5 | 177.8 | 0 | 109.6 | ||||
| 5 | F | 32.6 | Very low | 36.2 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -110.7 | 107 | 150.7 | -101.2 | -87.4 | 0 | 0 | 0 | 107.9 | ||||
| 6 | S | 30 | Very low | 36.2 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 130.1 | 152.5 | 60.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 7 | S | 38 | Very low | 36.5 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | trans | -154.5 | 93.2 | 155.4 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | S9 | S7-S9 PolarHBondContact O-N 3.49Š| ||
| 8 | T | 34.3 | Very low | 36.4 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | trans | -46.2 | 98.3 | 131 | 36.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 9 | S | 42.3 | Very low | 36.5 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -129 | 97.6 | 164.4 | 46.1 | 0 | 0 | 0 | 0 | 106.4 | S7 C11 | S7-S9 PolarHBondContact O-N 3.49Å; S9-C11 PolarHBondContact O-N 2.76Å | ||
| 10 | A | 36.8 | Very low | 36.7 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -64.1 | 123.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q12 | A10-Q12 PolarHBondContact O-N 3.33Å; A10-Q12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | C | 34.3 | Very low | 36.6 | Very low | 97 Ų | 97 | 137 Ų | 137 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | trans | -71 | 110.6 | 177.1 | -142.9 | 0 | 0 | 0 | 0 | 108.1 | S9 H13 | S9-C11 PolarHBondContact O-N 2.76Å; C11-H13 WeakPolarHBondContact CB-NE2 3.3Å; C11-H13 PolarHBondContact O-N 2.83Å; C11-H13 PolarHBondContact SG-CD2 3.35Å; C11-H13 PolarHBondContact SG-NE2 3.21Å | ||
| 12 | Q | 37.8 | Very low | 36.7 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | trans | -85.3 | 92.3 | 174.2 | -74.1 | -175.5 | -34.2 | 0 | 0 | 108.7 | A10 | A10-Q12 PolarHBondContact O-N 3.33Å; A10-Q12 VanDerWaalsContact O-N 3.16Å | ||
| 13 | H | 40.4 | Very low | 36.6 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 57% | 0.565 | 74% | 0.742 | S | S | * | * | trans | -119.9 | 113.6 | 164.7 | 19.6 | 67.8 | 0 | 0 | 0 | 109.2 | C11 | C11-H13 WeakPolarHBondContact CB-NE2 3.3Å; C11-H13 PolarHBondContact O-N 2.83Å; C11-H13 PolarHBondContact SG-CD2 3.35Å; C11-H13 PolarHBondContact SG-NE2 3.21Å | ||
| 14 | S | 40.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | trans | -87.5 | 114.1 | 168.4 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 15 | G | 38.3 | Very low | 36.6 | Very low | 60 Ų | 60 | 125.8 Ų | 125.8 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 118.7 | 113.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D17 | G15-D17 VanDerWaalsContact C-N 3.3Å; G15-D17 PolarHBondContact O-N 3.5Å |
| 16 | A | 36.6 | Very low | 37 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 47.2 | -10.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||
| 17 | D | 40.1 | Very low | 37.2 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | trans | -114.8 | 50.4 | -171.2 | -67.8 | -21.9 | 0 | 0 | 0 | 113.8 | G15 E19 | G15-D17 VanDerWaalsContact C-N 3.3Å; G15-D17 PolarHBondContact O-N 3.5Å; D17-E19 VanDerWaalsContact C-N 3.32Å; D17-E19 PolarHBondContact O-N 2.67Å | ||
| 18 | W | 36.2 | Very low | 37.1 | Very low | 200 Ų | 200 | 126.6 Ų | 126.6 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | trans | -79.8 | -7.7 | 179.8 | 66.2 | -86.5 | 0 | 0 | 0 | 114.5 | ||||
| 19 | E | 37.9 | Very low | 37 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -94.8 | -20.8 | -174.2 | -70.4 | 178.8 | 153.6 | 0 | 0 | 114.3 | D17 C21 | D17-E19 VanDerWaalsContact C-N 3.32Å; D17-E19 PolarHBondContact O-N 2.67Å; E19-C21 VanDerWaalsContact C-N 3.35Å; E19-C21 PolarHBondContact O-N 2.8Å |
| 20 | D | 39.2 | Very low | 36.8 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -9.5 | -177.9 | -94 | -12.6 | 0 | 0 | 0 | 114.6 | ||
| 21 | C | 35 | Very low | 36.9 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -1.9 | 178.6 | -81.3 | 0 | 0 | 0 | 0 | 115 | E19 | E19-C21 VanDerWaalsContact C-N 3.35Å; E19-C21 PolarHBondContact O-N 2.8Å |
| 22 | R | 35.8 | Very low | 36.9 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -98.1 | 1.1 | -172.5 | -158.3 | 167.6 | 166 | 174.1 | -6.8 | 115.2 | D179 | R22-D179 IonicContact NH2-OD2 3.92Å; R22-D179 PolarHBondContact NH2-OD2 2.94Å |
| 23 | I | 32.9 | Very low | 36.9 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -104.5 | 70.5 | 175 | -49.1 | 177.4 | 0 | 0 | 0 | 109.8 | ||||
| 24 | S | 32.6 | Very low | 36.7 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -124 | 84.9 | 158.3 | -169.1 | 0 | 0 | 0 | 0 | 107.2 | D26 | S24-D26 PolarHBondContact O-N 3.38Š| ||
| 25 | I | 37.4 | Very low | 36.2 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 54% | 0.544 | 73% | 0.726 | S | S | . | * | trans | -78.2 | 104.3 | 165.8 | -62.6 | 174.6 | 0 | 0 | 0 | 105.9 | C27 S109 | I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 3.35Å; I25-S109 VanDerWaalsContact CD1-OG 3.24Å; I25-S109 WeakPolarHBondContact CD1-OG 3.17Å | ||
| 26 | D | 39.9 | Very low | 36.2 | Very low | 120 Ų | 120 | 138 Ų | 138 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | -66 | 85.1 | 172.9 | -84.7 | -33.3 | 0 | 0 | 0 | 110.6 | S24 F28 | S24-D26 PolarHBondContact O-N 3.38Å; D26-F28 HydrophobicContact CB-CD2 4.12Å; D26-F28 PolarHBondContact O-N 3.16Å | ||
| 27 | C | 35.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -76 | 74.1 | 161.5 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | I25 | I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 3.35Å | ||
| 28 | F | 35.5 | Very low | 35.6 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | trans | -88.4 | 101.5 | 165.5 | -90 | -87.8 | 0 | 0 | 0 | 109.8 | D26 | D26-F28 HydrophobicContact CB-CD2 4.12Å; D26-F28 PolarHBondContact O-N 3.16Å | ||
| 29 | G | 32.6 | Very low | 35.6 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 176.8 | 17.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 30 | I | 38.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -132.1 | 101.9 | 170.2 | -54.2 | 179.7 | 0 | 0 | 0 | 109.8 | G32 | I30-G32 PolarHBondContact O-N 3.37Š| ||
| 31 | K | 37.5 | Very low | 34.8 | Very low | 219 Ų | 219 | 145 Ų | 145 | 95% | 0.952 | 76% | 0.759 | S | S | * | * | trans | -70.4 | 106.1 | 160.7 | -74.6 | -177.8 | 176.4 | 178 | 0 | 107.5 | ||||
| 32 | G | 35.2 | Very low | 34.8 | Very low | 55 Ų | 55 | 148.7 Ų | 148.7 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 144.7 | 103.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I30 | I30-G32 PolarHBondContact O-N 3.37Š|
| 33 | K | 39 | Very low | 34.8 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | 69.9 | 112.9 | 145.3 | -56.6 | -178.5 | -179.1 | 178.7 | 0 | 118.4 | ||||
| 34 | H | 34.2 | Very low | 34.9 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | 70.4 | 98.9 | 156.9 | -78.9 | -59.6 | 0 | 0 | 0 | 119.3 | ||||
| 35 | C | 30.8 | Very low | 35.1 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 90% | 0.899 | 79% | 0.789 | S | S | * | * | trans | -114.3 | 110.7 | 145 | -161.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 36 | K | 38 | Very low | 34.9 | Very low | 171 Ų | 171 | 154.1 Ų | 154.1 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -87.5 | 119.3 | 171.7 | -78.2 | -178.4 | 178.4 | 175.6 | 0 | 108.2 | ||||
| 37 | S | 31.7 | Very low | 34.5 | Very low | 87 Ų | 87 | 158.5 Ų | 158.5 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -5 | 120.3 | 155.1 | -169.4 | 0 | 0 | 0 | 0 | 117.4 | R39 | S37-R39 WeakPolarHBondContact OG-CG 3.46Š| ||
| 38 | I | 32.9 | Very low | 34.5 | Very low | 176 Ų | 176 | 161.6 Ų | 161.6 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | trans | -105.3 | 109.8 | 148.3 | -68.5 | 177.1 | 0 | 0 | 0 | 106.7 | ||||
| 39 | R | 35.2 | Very low | 34.4 | Very low | 213 Ų | 213 | 159.3 Ų | 159.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -88 | 130 | 172.8 | -63.8 | -176.5 | -164.3 | 173.3 | 2.7 | 109.3 | S37 | S37-R39 WeakPolarHBondContact OG-CG 3.46Š| ||
| 40 | H | 31.6 | Very low | 34.4 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | 35.8 | 112.8 | 135.1 | -75 | 49.1 | 0 | 0 | 0 | 118.2 | ||||
| 41 | L | 30.3 | Very low | 34.3 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -131.9 | 87.1 | 152.7 | -100.2 | 161.5 | 0 | 0 | 0 | 108 | ||||
| 42 | H | 33.7 | Very low | 34.1 | Very low | 184 Ų | 184 | 156 Ų | 156 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -153.4 | 136.5 | 156.6 | -107.5 | -96.3 | 0 | 0 | 0 | 109.1 | ||||
| 43 | K | 35.4 | Very low | 33.9 | Very low | 195 Ų | 195 | 159.4 Ų | 159.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | 99.3 | 93 | 170.3 | -58.3 | 178.5 | -179.9 | 178 | 0 | 116.6 | ||||
| 44 | N | 36.4 | Very low | 33.4 | Very low | 157 Ų | 157 | 160.5 Ų | 160.5 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -114.3 | 110 | 138.1 | -81 | -26.5 | 0 | 0 | 0 | 107.5 | ||||
| 45 | H | 36.7 | Very low | 33.3 | Very low | 187 Ų | 187 | 160.7 Ų | 160.7 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | 174.1 | 118.2 | 120.5 | -104.6 | -85.7 | 0 | 0 | 0 | 112.4 | |||||
| 46 | S | 34 | Very low | 33.3 | Very low | 96 Ų | 96 | 159.2 Ų | 159.2 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | trans | -10.6 | 123.9 | 158.8 | -83.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 47 | Y | 29.4 | Very low | 33 | Very low | 212 Ų | 212 | 156 Ų | 156 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | 81.8 | 112.9 | 84.1 | -89.9 | -74.6 | 0 | 0 | 0 | 114.7 | |||||
| 48 | K | 35.8 | Very low | 33 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | 166.7 | 127.3 | 104.2 | -89.6 | -172.4 | -177.4 | 176.8 | 0 | 113.7 | |||||
| 49 | S | 33.7 | Very low | 33 | Very low | 116 Ų | 116 | 157 Ų | 157 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | 55 | 143.3 | 140.3 | 57.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 50 | A | 33.4 | Very low | 33 | Very low | 95 Ų | 95 | 154.6 Ų | 154.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | cis | -168.7 | 172.1 | 7.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 51 | P | 35.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -120.5 | -174.8 | -154.6 | 42 | -29.6 | 0 | 0 | 0 | 117.1 | ||||
| 52 | Q | 33.6 | Very low | 33.1 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 85.6 | 140.1 | 160.7 | -64.7 | -179.8 | 4.8 | 0 | 0 | 116.2 | ||||
| 53 | T | 31.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -162.9 | 164.3 | 33.1 | 21.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 54 | Y | 26.9 | Very low | 33.1 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | trans | -47.5 | 155.6 | 174.1 | -73.2 | -103 | 0 | 0 | 0 | 118 | ||||
| 55 | L | 33 | Very low | 33.1 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -165.4 | 135.6 | 132.4 | -98.5 | 167.7 | 0 | 0 | 0 | 111.2 | ||||
| 56 | S | 29.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -100.6 | 157.6 | 175.7 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 57 | S | 32.7 | Very low | 33 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 141.9 | 106.1 | 146.8 | -79.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 58 | T | 31 | Very low | 33.2 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | 78.6 | 129.4 | 98.3 | 57.9 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 59 | H | 33.6 | Very low | 33 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 95.6 | 130.8 | 135.2 | -100.1 | -65.7 | 0 | 0 | 0 | 121.8 | ||||
| 60 | I | 35 | Very low | 33.1 | Very low | 163 Ų | 163 | 140 Ų | 140 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | 82 | 133.6 | 151.2 | -52.1 | 148.4 | 0 | 0 | 0 | 114.8 | ||||
| 61 | G | 33.2 | Very low | 33.3 | Very low | 61 Ų | 61 | 146.1 Ų | 146.1 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | cis | 173.9 | 156.9 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | N | 30 | Very low | 33.1 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 16.5 | 135.6 | 156.2 | -60.1 | -13.2 | 0 | 0 | 0 | 121.1 | ||||
| 63 | T | 35 | Very low | 33 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 176.3 | 122.2 | 96.4 | 39.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 64 | Q | 35.1 | Very low | 33 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | 34 | 138 | 135.7 | -62.5 | -174.6 | -16 | 0 | 0 | 123.7 | ||||
| 65 | N | 35.9 | Very low | 33.2 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | 130.8 | 125.2 | 146.4 | -67.4 | -17.9 | 0 | 0 | 0 | 109.5 | ||||
| 66 | G | 32.6 | Very low | 33.1 | Very low | 64 Ų | 64 | 141.7 Ų | 141.7 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 152.3 | 139.5 | 8.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 67 | L | 35.3 | Very low | 33.2 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 72.3 | 104.5 | 151.6 | -61.9 | 166 | 0 | 0 | 0 | 119.3 | ||||
| 68 | N | 35.4 | Very low | 33.1 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | 163.3 | 118.4 | 96.3 | -81.4 | -36.1 | 0 | 0 | 0 | 112.9 | |||||
| 69 | D | 31.6 | Very low | 33 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -61.2 | 148.6 | 162.1 | -66.9 | -55.8 | 0 | 0 | 0 | 112.1 | ||||
| 70 | K | 35.4 | Very low | 32.9 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | 172 | 148 | 124.9 | -89.7 | 157.4 | -172.1 | -178.1 | 0 | 111.7 | |||||
| 71 | Y | 36.1 | Very low | 32.6 | Very low | 223 Ų | 223 | 147 Ų | 147 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | 92.6 | 65.4 | 173.1 | -47.1 | -68.4 | 0 | 0 | 0 | 117.4 | ||||
| 72 | L | 32.7 | Very low | 32.6 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -78.3 | 127.7 | 144.2 | -133.1 | 97.9 | 0 | 0 | 0 | 108.4 | ||||
| 73 | L | 31.4 | Very low | 32.5 | Very low | 169 Ų | 169 | 152.5 Ų | 152.5 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -153.9 | 120 | 144.4 | -80 | -171.1 | 0 | 0 | 0 | 110.1 | ||||
| 74 | P | 30.9 | Very low | 32.4 | Very low | 107 Ų | 107 | 154 Ų | 154 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | trans | -93.3 | 135.7 | 171.5 | 34.2 | -26.7 | 0 | 0 | 0 | 110.5 | ||||
| 75 | L | 32.1 | Very low | 32.1 | Very low | 164 Ų | 164 | 153 Ų | 153 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -106.5 | 124.5 | 169.3 | -68.5 | -179.8 | 0 | 0 | 0 | 110.5 | ||||
| 76 | P | 29.4 | Very low | 31.9 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -90.6 | 130.2 | -179.9 | 34.3 | -28.8 | 0 | 0 | 0 | 110.2 | ||||
| 77 | I | 33.1 | Very low | 32.1 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -113.3 | 111.7 | 167.4 | -57.4 | 178.8 | 0 | 0 | 0 | 108.5 | T79 | I77-T79 PolarHBondContact O-N 3.05Š| ||
| 78 | R | 29.4 | Very low | 32 | Very low | 241 Ų | 241 | 158.2 Ų | 158.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123.3 | 174.1 | -70.9 | 175.4 | 171.2 | -165.9 | -2.8 | 109.9 | ||
| 79 | T | 30 | Very low | 32 | Very low | 123 Ų | 123 | 159.1 Ų | 159.1 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 131.7 | 161.4 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | I77 S81 | I77-T79 PolarHBondContact O-N 3.05Å; T79-S81 PolarHBondContact O-N 2.97Å |
| 80 | P | 30.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 159.2 Ų | 159.2 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 116.8 | 168 | 29.6 | -28.2 | 0 | 0 | 0 | 109.8 | I82 | P80-I82 PolarHBondContact O-N 3.05Š|
| 81 | S | 28.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -67 | 113.2 | 167.5 | -65.2 | 0 | 0 | 0 | 0 | 109.8 | T79 | T79-S81 PolarHBondContact O-N 2.97Š| ||
| 82 | I | 33.1 | Very low | 32 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 82% | 0.821 | 82% | 0.821 | S | S | * | * | trans | -90.3 | 110.6 | 168.7 | -16.9 | 176 | 0 | 0 | 0 | 107.6 | P80 L84 | P80-I82 PolarHBondContact O-N 3.05Å; I82-L84 PolarHBondContact O-N 3.49Å | ||
| 83 | H | 28.3 | Very low | 32 | Very low | 168 Ų | 168 | 154 Ų | 154 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | trans | -78.1 | 105.5 | -177.8 | -161.7 | -61.6 | 0 | 0 | 0 | 109 | ||||
| 84 | L | 33.4 | Very low | 32.1 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -86.6 | 112.1 | 170.1 | -125.5 | 83.6 | 0 | 0 | 0 | 109.9 | I82 S86 | I82-L84 PolarHBondContact O-N 3.49Å; L84-S86 PolarHBondContact O-N 3.35Å | ||
| 85 | E | 28.9 | Very low | 32 | Very low | 152 Ų | 152 | 155.6 Ų | 155.6 | 71% | 0.71 | 82% | 0.823 | S | S | * | * | trans | -70.2 | 118.1 | -175.3 | -151.8 | 171.5 | 141.4 | 0 | 0 | 111.6 | K87 | E85-K87 PolarHBondContact O-N 3.3Š| ||
| 86 | S | 30.5 | Very low | 32.3 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -78.2 | 95 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | L84 K88 | L84-S86 PolarHBondContact O-N 3.35Å; S86-K88 PolarHBondContact O-N 2.95Å | ||
| 87 | K | 38.3 | Very low | 32.4 | Very low | 179 Ų | 179 | 160.7 Ų | 160.7 | 78% | 0.778 | 83% | 0.826 | S | S | * | * | trans | -78.7 | 108.8 | 167.9 | -79 | -176.4 | 178.2 | 175.7 | 0 | 110.5 | E85 | E85-K87 PolarHBondContact O-N 3.3Š| ||
| 88 | K | 31.9 | Very low | 32.5 | Very low | 198 Ų | 198 | 158.4 Ų | 158.4 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -52.2 | 128.4 | 164.1 | -69.8 | 171.2 | 176.4 | 173.4 | 0 | 110.2 | S86 | S86-K88 PolarHBondContact O-N 2.95Š| ||
| 89 | L | 36.8 | Very low | 32.7 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -136.6 | 141.4 | 156.9 | -100.6 | 159.2 | 0 | 0 | 0 | 109.9 | ||||
| 90 | N | 36 | Very low | 32.9 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -77.2 | 155.2 | -152.1 | -79.8 | -36.9 | 0 | 0 | 0 | 115.2 | ||||
| 91 | K | 32 | Very low | 33 | Very low | 203 Ų | 203 | 157.3 Ų | 157.3 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -50.9 | 128.6 | 164.6 | -68.6 | 170.2 | 174.1 | 175.5 | 0 | 111.8 | ||||
| 92 | T | 33.9 | Very low | 33.1 | Very low | 141 Ų | 141 | 156.7 Ų | 156.7 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | trans | -146 | 126.2 | 135.6 | -30.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 93 | S | 32 | Very low | 33 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -55.7 | 138.4 | 179.9 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 94 | Q | 35.5 | Very low | 33.2 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | -172 | 118.7 | 123.8 | -100.1 | 169.5 | 24.5 | 0 | 0 | 112.2 | I96 | Q94-I96 PolarHBondContact O-N 3.1Š| |||
| 95 | S | 28.6 | Very low | 33.2 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -26.1 | 111.5 | 163.6 | 162.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 96 | I | 37.5 | Very low | 33.5 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -147.1 | 132.7 | 142.4 | -54.3 | -176.4 | 0 | 0 | 0 | 108.6 | Q94 | Q94-I96 PolarHBondContact O-N 3.1Š| ||
| 97 | R | 30.7 | Very low | 33.9 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | trans | -59.7 | 140.8 | -166.4 | -50 | 175.4 | -171.2 | -147.8 | 0.4 | 114.2 | ||||
| 98 | P | 36.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -101.6 | 117.6 | 162.8 | 33.7 | -22.5 | 0 | 0 | 0 | 110.4 | S100 | P98-S100 VanDerWaalsContact C-N 3.33Å; P98-S100 PolarHBondContact O-N 3.21Å; P98-S100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | H | 33.6 | Very low | 33.9 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | trans | -68.7 | 99.1 | 152.1 | -82.3 | -89.1 | 0 | 0 | 0 | 106.7 | L101 | H99-L101 PolarHBondContact O-N 2.95Å; H99-L101 VanDerWaalsContact O-N 3.07Å | ||
| 100 | S | 33.4 | Very low | 33.7 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | trans | -73.5 | 93.3 | 173.4 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | P98 C102 | P98-S100 VanDerWaalsContact C-N 3.33Å; P98-S100 PolarHBondContact O-N 3.21Å; P98-S100 VanDerWaalsContact O-N 3.1Å; S100-C102 VanDerWaalsContact C-N 3.29Å; S100-C102 PolarHBondContact O-N 2.62Å | ||
| 101 | L | 33.3 | Very low | 33.6 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 89% | 0.885 | 68% | 0.679 | S | S | * | * | trans | -79.7 | 90.4 | 156.8 | -69.5 | 175.7 | 0 | 0 | 0 | 107 | H99 A103 | H99-L101 PolarHBondContact O-N 2.95Å; H99-L101 VanDerWaalsContact O-N 3.07Å; L101-A103 PolarHBondContact O-N 3.39Å; L101-A103 VanDerWaalsContact O-N 3.11Å | ||
| 102 | C | 30.1 | Very low | 33.4 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | trans | -59.6 | 107.5 | 166.6 | 177.3 | 0 | 0 | 0 | 0 | 108 | S100 R104 | S100-C102 VanDerWaalsContact C-N 3.29Å; S100-C102 PolarHBondContact O-N 2.62Å; C102-R104 PolarHBondContact O-N 2.66Å | ||
| 103 | A | 30.8 | Very low | 33.2 | Very low | 49 Ų | 49 | 122 Ų | 122 | 41% | 0.405 | 66% | 0.659 | S | S | . | * | trans | -66.2 | 113.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | L101 E184 | L101-A103 PolarHBondContact O-N 3.39Å; L101-A103 VanDerWaalsContact O-N 3.11Å; A103-E184 HydrophobicContact CB-CG 3.89Å; A103-E184 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 104 | R | 33.8 | Very low | 33.1 | Very low | 194 Ų | 194 | 122.2 Ų | 122.2 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | trans | -86.7 | 131 | 172.7 | -75.7 | 177.2 | 158.8 | -170.4 | -9.3 | 107.9 | C102 V106 | C102-R104 PolarHBondContact O-N 2.66Å; R104-V106 PolarHBondContact O-N 3.48Å | ||
| 105 | S | 33.6 | Very low | 32.7 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 65% | 0.648 | S | S | * | * | trans | -45.4 | 121.6 | 170.1 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | R107 | S105-R107 PolarHBondContact O-N 2.9Š| ||
| 106 | V | 34.8 | Very low | 32.8 | Very low | 68 Ų | 68 | 119.4 Ų | 119.4 | 41% | 0.412 | 64% | 0.639 | S | S | . | * | trans | -87.5 | 98.8 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 106.5 | R104 L108 | R104-V106 PolarHBondContact O-N 3.48Å; V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 HydrophobicContact CG1-CG 4.44Å; V106-L108 PolarHBondContact O-N 3.39Å | ||
| 107 | R | 37.8 | Very low | 32.3 | Very low | 148 Ų | 148 | 119.5 Ų | 119.5 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | trans | -72.6 | 93.7 | 168.6 | -167 | -179.7 | -168.6 | 140.4 | 10.9 | 107.4 | S105 S109 D179 | S105-R107 PolarHBondContact O-N 2.9Å; R107-S109 VanDerWaalsContact C-N 3.34Å; R107-S109 PolarHBondContact O-N 3.29Å; R107-D179 IonicContact NH2-OD2 2.98Å; R107-D179 PolarHBondContact NH2-OD2 3.15Å | ||
| 108 | L | 35.5 | Very low | 32.4 | Very low | 39 Ų | 39 | 118.6 Ų | 118.6 | 20% | 0.204 | 63% | 0.632 | C | S | . | * | trans | -66.9 | 100.7 | 162.5 | -87.8 | 157.9 | 0 | 0 | 0 | 106.6 | V106 I110 I182 L247 I248 | V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 HydrophobicContact CG1-CG 4.44Å; V106-L108 PolarHBondContact O-N 3.39Å; L108-I110 HydrophobicContact CB-CG1 4.14Å; L108-I110 PolarHBondContact O-N 3.2Å; L108-I182 HydrophobicContact CD1-CD1 3.68Å; L108-L247 HydrophobicContact CD1-CB 4.04Å; L108-I248 HydrophobicContact CD2-CD1 4.43Å; L108-I248 HydrophobicContact CD2-CG1 3.52Å | ||
| 109 | S | 35.1 | Very low | 32.3 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | trans | -66.3 | 80.6 | 156.7 | 55.2 | 0 | 0 | 0 | 0 | 106.3 | I25 R107 I111 | I25-S109 VanDerWaalsContact CD1-OG 3.24Å; I25-S109 WeakPolarHBondContact CD1-OG 3.17Å; R107-S109 VanDerWaalsContact C-N 3.34Å; R107-S109 PolarHBondContact O-N 3.29Å; S109-I111 PolarHBondContact O-N 3.07Å | ||
| 110 | I | 33.8 | Very low | 32 | Very low | 52 Ų | 52 | 120.3 Ų | 120.3 | 27% | 0.267 | 63% | 0.633 | S | S | . | * | trans | -62.3 | 101.6 | 161.1 | -59.6 | 179.3 | 0 | 0 | 0 | 103.2 | L108 P112 | L108-I110 HydrophobicContact CB-CG1 4.14Å; L108-I110 PolarHBondContact O-N 3.2Å; I110-P112 VanDerWaalsContact O-N 3.14Å | ||
| 111 | I | 32.2 | Very low | 31.8 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 67% | 0.672 | 63% | 0.629 | S | S | * | * | trans | -51.1 | 122.8 | 173.3 | -63.4 | 169.1 | 0 | 0 | 0 | 104.5 | S109 L113 | S109-I111 PolarHBondContact O-N 3.07Å; I111-L113 PolarHBondContact O-N 3.06Å | ||
| 112 | P | 29.6 | Very low | 31.8 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | trans | -54 | 122.7 | 175.3 | 20.5 | -29.7 | 0 | 0 | 0 | 106.8 | I110 N114 | I110-P112 VanDerWaalsContact O-N 3.14Å; P112-N114 PolarHBondContact O-N 3.41Å | ||
| 113 | L | 29.3 | Very low | 32.1 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 67% | 0.665 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -63.4 | 77.3 | 169.9 | -71 | 168.8 | 0 | 0 | 0 | 107.6 | I111 | I111-L113 PolarHBondContact O-N 3.06Š|
| 114 | N | 28.9 | Very low | 32.1 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 60% | 0.604 | 65% | 0.646 | S | S | * | * | trans | 169.6 | 104.3 | 146.6 | -101.8 | -45.3 | 0 | 0 | 0 | 110.7 | P112 I116 | P112-N114 PolarHBondContact O-N 3.41Å; N114-I116 PolarHBondContact O-N 3.07Å | ||
| 115 | P | 27.7 | Very low | 32.1 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 81% | 0.812 | 66% | 0.655 | S | S | * | * | trans | -92.5 | 72.4 | 166.1 | 36 | -28 | 0 | 0 | 0 | 109.5 | ||||
| 116 | I | 30.2 | Very low | 31.9 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 65% | 0.646 | 66% | 0.664 | S | S | * | * | trans | -133.4 | 58.6 | 168.1 | -45 | 178.6 | 0 | 0 | 0 | 110 | N114 | N114-I116 PolarHBondContact O-N 3.07Š| ||
| 117 | Y | 28.2 | Very low | 31.9 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 66% | 0.655 | 69% | 0.687 | S | S | * | * | trans | -153.2 | 80.3 | 149.7 | -85.4 | -65 | 0 | 0 | 0 | 109.9 | R119 V160 | Y117-R119 PolarHBondContact O-N 3.43Å; Y117-V160 HydrophobicContact CE2-CG1 4.2Å; Y117-V160 HydrophobicContact CE2-CG2 4.36Å; Y117-V160 WeakPolarHBondContact OH-CG1 3.44Å; Y117-V160 WeakPolarHBondContact OH-CG2 3.23Å | ||
| 118 | K | 32.9 | Very low | 31.6 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 70% | 0.701 | S | S | * | * | trans | -66 | 93.2 | 147.5 | -79.9 | -178.6 | 176 | 177.7 | 0 | 106.7 | S120 | K118-S120 PolarHBondContact O-N 2.93Š| ||
| 119 | R | 32.9 | Very low | 31.4 | Very low | 226 Ų | 226 | 141.9 Ų | 141.9 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | trans | -67.8 | 100.5 | 164.6 | -86.6 | -176.2 | 174.5 | -172.8 | -1.2 | 107.4 | Y117 P121 | Y117-R119 PolarHBondContact O-N 3.43Å; R119-P121 VanDerWaalsContact O-CD 3.3Å; R119-P121 WeakPolarHBondContact O-CD 3.44Å | ||
| 120 | S | 27.5 | Very low | 31.1 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -61.3 | 120.1 | 161.7 | -62.8 | 0 | 0 | 0 | 0 | 108.5 | K118 S122 | K118-S120 PolarHBondContact O-N 2.93Å; S120-S122 PolarHBondContact O-N 3.31Å | ||
| 121 | P | 30.7 | Very low | 31.3 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | trans | -88.7 | 107.7 | 174.1 | 30.8 | -23.7 | 0 | 0 | 0 | 108.8 | R119 | R119-P121 VanDerWaalsContact O-CD 3.3Å; R119-P121 WeakPolarHBondContact O-CD 3.44Å | ||
| 122 | S | 32.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 154 | 153.1 | 153.2 | 52 | 0 | 0 | 0 | 0 | 111.3 | S120 | S120-S122 PolarHBondContact O-N 3.31Š| ||
| 123 | L | 35.8 | Very low | 31.7 | Very low | 174 Ų | 174 | 155.1 Ų | 155.1 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | 89.9 | 82.4 | -165.1 | -54.9 | 163.4 | 0 | 0 | 0 | 110.6 | ||||
| 124 | G | 31 | Very low | 32 | Very low | 66 Ų | 66 | 155.8 Ų | 155.8 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | cis | 69.4 | 96.5 | 35.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 125 | R | 35.3 | Very low | 32.2 | Very low | 245 Ų | 245 | 154.2 Ų | 154.2 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | 92.7 | 104.3 | 167.8 | -60.9 | -177.5 | -174.2 | -160.1 | 0.6 | 118.5 | ||||
| 126 | R | 29.5 | Very low | 32.5 | Very low | 242 Ų | 242 | 157.2 Ų | 157.2 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | 9.7 | 130.6 | 129.7 | -62.5 | -179.9 | -174.4 | -176.4 | 0.5 | 116.7 | |||||
| 127 | K | 34.1 | Very low | 32.6 | Very low | 205 Ų | 205 | 155.6 Ų | 155.6 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | -170.9 | 130.4 | 116.3 | -105.2 | 173.6 | -178.9 | -174 | 0 | 111.5 | |||||
| 128 | L | 31.2 | Very low | 32.9 | Very low | 163 Ų | 163 | 154.6 Ų | 154.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -49.7 | 145.8 | 162.2 | -73.5 | 81.5 | 0 | 0 | 0 | 111.1 | ||||
| 129 | C | 30.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 155.2 Ų | 155.2 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -156.2 | 107 | 147.4 | -85.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 130 | L | 28.8 | Very low | 32.8 | Very low | 167 Ų | 167 | 151 Ų | 151 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -66.6 | 147.5 | 153.7 | -73 | 154.5 | 0 | 0 | 0 | 109 | ||||
| 131 | P | 38.1 | Very low | 33 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -107.8 | 112.9 | 159 | 30.9 | -18.4 | 0 | 0 | 0 | 110.6 | ||||
| 132 | N | 33.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -107.2 | 109.9 | 158.5 | -167.6 | 5.8 | 0 | 0 | 0 | 106.3 | ||||
| 133 | H | 37.7 | Very low | 33.3 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 89% | 0.889 | 81% | 0.805 | S | S | * | * | trans | -143.3 | 103.4 | 167 | -94.2 | -69.1 | 0 | 0 | 0 | 110.5 | ||||
| 134 | N | 35.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 153 Ų | 153 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -84.5 | 131.1 | 159.1 | -147 | -4.1 | 0 | 0 | 0 | 108.1 | ||||
| 135 | S | 32.1 | Very low | 33.2 | Very low | 80 Ų | 80 | 157.6 Ų | 157.6 | 56% | 0.559 | 81% | 0.812 | S | S | * | * | trans | 65.4 | 129.8 | 147.7 | -6.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 136 | Q | 34.5 | Very low | 33 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | 75 | 141.4 | 147.3 | -59.9 | 175.2 | 15.4 | 0 | 0 | 116.9 | ||||
| 137 | S | 32.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | cis | -173.2 | 168.1 | -11 | 68.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 138 | I | 35 | Very low | 33 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | 84.6 | 97.6 | 152.3 | -59.5 | 164.8 | 0 | 0 | 0 | 119 | ||||
| 139 | R | 29 | Very low | 32.8 | Very low | 219 Ų | 219 | 147.3 Ų | 147.3 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | 56.9 | 125.4 | 117.1 | -71 | -175.1 | 179.9 | -160 | -0.1 | 122.9 | |||||
| 140 | T | 33.5 | Very low | 32.7 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 82.6 | 122.7 | 130.5 | 58 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 141 | G | 32.5 | Very low | 32.7 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 162.5 | 75.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 142 | S | 32.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 16.4 | 117.3 | 147.3 | -166 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 143 | T | 35.5 | Very low | 32.1 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | 175 | 125.1 | 107.8 | 30.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 144 | R | 33.7 | Very low | 31.9 | Very low | 232 Ų | 232 | 142.5 Ų | 142.5 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | trans | 66.5 | 102.4 | 151.7 | -62.5 | -178.7 | -165.2 | 167.7 | 5.7 | 120.3 | ||||
| 145 | N | 32.5 | Very low | 31.8 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | 47.3 | 97.7 | 136.7 | -71.2 | 5.2 | 0 | 0 | 0 | 119.6 | ||||
| 146 | T | 29.8 | Very low | 32.3 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -53.8 | -178.2 | 151.8 | 39.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 147 | P | 35.2 | Very low | 32.3 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | cis | -147.1 | 140.3 | -25.9 | 29.7 | -9 | 0 | 0 | 0 | 115.3 | ||||
| 148 | W | 27.9 | Very low | 32.8 | Very low | 265 Ų | 265 | 139.1 Ų | 139.1 | 100% | 1.004 | 72% | 0.723 | S | S | * | * | trans | -148.3 | 71.6 | 141.5 | -69.1 | 95.7 | 0 | 0 | 0 | 109.4 | ||||
| 149 | I | 28.8 | Very low | 33.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | -115.4 | 122.3 | 151.4 | -62.8 | 175.1 | 0 | 0 | 0 | 103.8 | ||||
| 150 | N | 26.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 67% | 0.674 | S | S | * | * | trans | 151.2 | 81.2 | 152.8 | -75.9 | -15.3 | 0 | 0 | 0 | 110.6 | ||||
| 151 | S | 29.7 | Very low | 35.5 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | trans | -176.8 | 76 | 141.2 | -171.4 | 0 | 0 | 0 | 0 | 107.9 | D153 | S151-D153 PolarHBondContact O-N 2.9Š| ||
| 152 | F | 28.2 | Very low | 36.7 | Very low | 176 Ų | 176 | 122.4 Ų | 122.4 | 77% | 0.772 | 63% | 0.626 | S | S | * | * | trans | -87.8 | 94.7 | 155.5 | -157.6 | -96.5 | 0 | 0 | 0 | 104.5 | L154 | F152-L154 PolarHBondContact O-N 3.42Š| ||
| 153 | D | 30.6 | Very low | 37.8 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | trans | -64 | 113.1 | -176 | -157.8 | -15.5 | 0 | 0 | 0 | 108.5 | S151 R155 N156 | S151-D153 PolarHBondContact O-N 2.9Å; D153-R155 PolarHBondContact O-N 3.19Å; D153-R155 WeakPolarHBondContact OD1-CB 3.34Å; D153-R155 WeakPolarHBondContact OD1-CG 3.15Å; D153-R155 IonicContact OD1-CZ 2.67Å; D153-R155 PolarHBondContact OD1-N 3.23Å; D153-R155 IonicContact OD1-NE 2.69Å; D153-R155 PolarHBondContact OD1-NE 3.12Å; D153-R155 IonicContact OD1-NH2 3.39Å; D153-R155 IonicContact OD2-CZ 2.91Å; D153-R155 IonicContact OD2-NE 3.79Å; D153-R155 PolarHBondContact OD2-NE 2.99Å; D153-R155 IonicContact OD2-NH2 3.16Å; D153-N156 WeakPolarHBondContact O-CB 3.41Å; D153-N156 PolarHBondContact O-N 3.11Å | ||
| 154 | L | 33.5 | Very low | 38.9 | Very low | 146 Ų | 146 | 117.7 Ų | 117.7 | 76% | 0.764 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -20.1 | 176.9 | -88.7 | 90.8 | 0 | 0 | 0 | 112.2 | F152 N156 C157 | F152-L154 PolarHBondContact O-N 3.42Å; L154-N156 PolarHBondContact O-N 3.27Å; L154-C157 PolarHBondContact O-N 3.4Å |
| 155 | R | 33.9 | Very low | 40.2 | Very low | 170 Ų | 170 | 107.5 Ų | 107.5 | 64% | 0.642 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -54.9 | -33.1 | 171.6 | -73.7 | -179.1 | -97.5 | -150.9 | -10 | 112.8 | D153 C157 Q158 T159 | D153-R155 PolarHBondContact O-N 3.19Å; D153-R155 WeakPolarHBondContact OD1-CB 3.34Å; D153-R155 WeakPolarHBondContact OD1-CG 3.15Å; D153-R155 IonicContact OD1-CZ 2.67Å; D153-R155 PolarHBondContact OD1-N 3.23Å; D153-R155 IonicContact OD1-NE 2.69Å; D153-R155 PolarHBondContact OD1-NE 3.12Å; D153-R155 IonicContact OD1-NH2 3.39Å; D153-R155 IonicContact OD2-CZ 2.91Å; D153-R155 IonicContact OD2-NE 3.79Å; D153-R155 PolarHBondContact OD2-NE 2.99Å; D153-R155 IonicContact OD2-NH2 3.16Å; R155-C157 VanDerWaalsContact C-N 3.31Å; R155-C157 PolarHBondContact O-N 3.47Å; R155-Q158 PolarHBondContact O-N 3.03Å; R155-T159 PolarHBondContact O-N 3.47Å; R155-T159 PolarHBondContact O-OG1 3.19Å; R155-T159 VanDerWaalsContact O-OG1 3.06Å |
| 156 | N | 41.7 | Very low | 41.5 | Very low | 101 Ų | 101 | 102.9 Ų | 102.9 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71 | -25.4 | -176.8 | -142.6 | 52.7 | 0 | 0 | 0 | 112.9 | D153 L154 V160 | D153-N156 WeakPolarHBondContact O-CB 3.41Å; D153-N156 PolarHBondContact O-N 3.11Å; L154-N156 PolarHBondContact O-N 3.27Å; N156-V160 WeakPolarHBondContact O-CG2 3.5Å; N156-V160 PolarHBondContact O-N 3.06Å |
| 157 | C | 35 | Very low | 42.9 | Very low | 78 Ų | 78 | 103.2 Ų | 103.2 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.4 | -40.9 | 172.1 | -90.3 | 0 | 0 | 0 | 0 | 111.6 | L154 R155 V160 L161 | L154-C157 PolarHBondContact O-N 3.4Å; R155-C157 VanDerWaalsContact C-N 3.31Å; R155-C157 PolarHBondContact O-N 3.47Å; C157-V160 PolarHBondContact O-N 3.18Å; C157-L161 WeakPolarHBondContact O-CG 3.26Å; C157-L161 PolarHBondContact O-N 2.95Å |
| 158 | Q | 44.3 | Very low | 44.1 | Very low | 83 Ų | 83 | 101.9 Ų | 101.9 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.2 | -74.8 | -178.5 | -28.8 | 0 | 0 | 111.4 | R155 V160 L161 R162 | R155-Q158 PolarHBondContact O-N 3.03Å; Q158-V160 VanDerWaalsContact C-N 3.33Å; Q158-V160 PolarHBondContact O-N 3.36Å; Q158-L161 PolarHBondContact O-N 3.35Å; Q158-R162 VanDerWaalsContact O-CB 3.25Å; Q158-R162 WeakPolarHBondContact O-CB 3.49Å; Q158-R162 WeakPolarHBondContact O-CG 3.49Å; Q158-R162 PolarHBondContact O-N 2.69Å |
| 159 | T | 51.3 | Low | 45.9 | Very low | 39 Ų | 39 | 89.3 Ų | 89.3 | 24% | 0.239 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63 | -35.8 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 113 | R155 R162 N163 E326 | R155-T159 PolarHBondContact O-N 3.47Å; R155-T159 PolarHBondContact O-OG1 3.19Å; R155-T159 VanDerWaalsContact O-OG1 3.06Å; T159-R162 PolarHBondContact O-N 2.91Å; T159-N163 WeakPolarHBondContact O-CB 3.19Å; T159-N163 PolarHBondContact O-N 3.21Å; T159-N163 PolarHBondContact O-ND2 3.42Å; T159-E326 WeakPolarHBondContact CG2-OXT 3.42Å |
| 160 | V | 51 | Low | 47.4 | Very low | 50 Ų | 50 | 84 Ų | 84 | 30% | 0.303 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.3 | -44.2 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | Y117 N156 C157 Q158 R162 N163 C164 | Y117-V160 HydrophobicContact CE2-CG1 4.2Å; Y117-V160 HydrophobicContact CE2-CG2 4.36Å; Y117-V160 WeakPolarHBondContact OH-CG1 3.44Å; Y117-V160 WeakPolarHBondContact OH-CG2 3.23Å; N156-V160 WeakPolarHBondContact O-CG2 3.5Å; N156-V160 PolarHBondContact O-N 3.06Å; C157-V160 PolarHBondContact O-N 3.18Å; Q158-V160 VanDerWaalsContact C-N 3.33Å; Q158-V160 PolarHBondContact O-N 3.36Å; V160-R162 PolarHBondContact O-N 3.36Å; V160-N163 PolarHBondContact O-N 3.25Å; V160-C164 WeakPolarHBondContact O-CB 3.15Å; V160-C164 PolarHBondContact O-N 3.06Å |
| 161 | L | 50.7 | Low | 48.8 | Very low | 69 Ų | 69 | 82.5 Ų | 82.5 | 36% | 0.361 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 170.9 | -72.4 | 169.4 | 0 | 0 | 0 | 110 | C157 Q158 C164 W165 L294 | C157-L161 WeakPolarHBondContact O-CG 3.26Å; C157-L161 PolarHBondContact O-N 2.95Å; Q158-L161 PolarHBondContact O-N 3.35Å; L161-C164 PolarHBondContact O-N 3.45Å; L161-C164 VanDerWaalsContact O-N 3.17Å; L161-W165 PolarHBondContact O-N 2.77Å; L161-L294 HydrophobicContact CD2-CD2 4.43Å |
| 162 | R | 57.2 | Low | 50.2 | Low | 69 Ų | 69 | 85.6 Ų | 85.6 | 26% | 0.26 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.3 | -53.5 | 174.6 | -76 | 180 | -171.6 | -174.2 | 4.8 | 114.7 | Q158 T159 V160 C164 W165 R166 D305 | Q158-R162 VanDerWaalsContact O-CB 3.25Å; Q158-R162 WeakPolarHBondContact O-CB 3.49Å; Q158-R162 WeakPolarHBondContact O-CG 3.49Å; Q158-R162 PolarHBondContact O-N 2.69Å; T159-R162 PolarHBondContact O-N 2.91Å; V160-R162 PolarHBondContact O-N 3.36Å; R162-C164 VanDerWaalsContact C-N 3.28Å; R162-C164 PolarHBondContact O-N 3.38Å; R162-W165 HydrophobicContact CB-CZ2 4.21Å; R162-W165 HydrophobicContact CG-CZ2 4.02Å; R162-W165 PolarHBondContact O-N 3.4Å; R162-R166 VanDerWaalsContact O-CB 3.26Å; R162-R166 WeakPolarHBondContact O-CB 2.99Å; R162-R166 PolarHBondContact O-N 3.44Å; R162-D305 IonicContact CZ-OD2 2.89Å; R162-D305 IonicContact NH2-OD2 3.8Å; R162-D305 PolarHBondContact NH2-OD2 3.4Å |
| 163 | N | 57.3 | Low | 51.4 | Low | 55 Ų | 55 | 79.2 Ų | 79.2 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68 | -29.4 | 178.7 | -74.3 | -51.4 | 0 | 0 | 0 | 112.9 | T159 V160 K167 | T159-N163 WeakPolarHBondContact O-CB 3.19Å; T159-N163 PolarHBondContact O-N 3.21Å; T159-N163 PolarHBondContact O-ND2 3.42Å; V160-N163 PolarHBondContact O-N 3.25Å; N163-K167 WeakPolarHBondContact O-CG 3.48Å; N163-K167 PolarHBondContact O-N 2.98Å |
| 164 | C | 57.5 | Low | 52.4 | Low | 73 Ų | 73 | 76.6 Ų | 76.6 | 49% | 0.493 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.8 | -44 | 177 | -152.4 | 0 | 0 | 0 | 0 | 111.9 | V160 L161 R162 N168 | V160-C164 WeakPolarHBondContact O-CB 3.15Å; V160-C164 PolarHBondContact O-N 3.06Å; L161-C164 PolarHBondContact O-N 3.45Å; L161-C164 VanDerWaalsContact O-N 3.17Å; R162-C164 VanDerWaalsContact C-N 3.28Å; R162-C164 PolarHBondContact O-N 3.38Å; C164-N168 PolarHBondContact O-N 3.48Å; C164-N168 VanDerWaalsContact O-N 3.08Å; C164-N168 PolarHBondContact O-ND2 2.99Å |
| 165 | W | 60.7 | Low | 52.9 | Low | 18 Ų | 18 | 79 Ų | 79 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -71.5 | -38.2 | 177.1 | 71.8 | -115.6 | 0 | 0 | 0 | 111.6 | L161 R162 K167 N168 L169 M302 L322 M323 | L161-W165 PolarHBondContact O-N 2.77Å; R162-W165 HydrophobicContact CB-CZ2 4.21Å; R162-W165 HydrophobicContact CG-CZ2 4.02Å; R162-W165 PolarHBondContact O-N 3.4Å; W165-K167 VanDerWaalsContact C-N 3.31Å; W165-K167 PolarHBondContact O-N 3.43Å; W165-N168 PolarHBondContact O-N 3.29Å; W165-L169 HydrophobicContact CE3-CB 4.34Å; W165-L169 HydrophobicContact CE3-CD2 3.72Å; W165-L169 HydrophobicContact CZ3-CD2 3.7Å; W165-L169 WeakPolarHBondContact O-CB 3.48Å; W165-L169 PolarHBondContact O-N 3.37Å; W165-M302 HydrophobicContact CB-CE 4.43Å; W165-M302 VanDerWaalsContact CD1-SD 3.54Å; W165-M302 HydrophobicContact CD2-CE 3.51Å; W165-M302 HydrophobicContact CE3-CE 4.14Å; W165-M302 HydrophobicContact CG-CE 3.59Å; W165-M302 HydrophobicContact CG-SD 4.25Å; W165-M302 HydrophobicContact CZ2-CE 4.36Å; W165-L322 HydrophobicContact CH2-CB 4.43Å; W165-L322 HydrophobicContact CH2-CD1 3.2Å; W165-L322 HydrophobicContact CH2-CD2 4.1Å; W165-L322 HydrophobicContact CH2-CG 3.3Å; W165-L322 VanDerWaalsContact CH2-O 3.3Å; W165-L322 WeakPolarHBondContact CH2-O 3.35Å; W165-L322 HydrophobicContact CZ2-CD1 3.34Å; W165-L322 HydrophobicContact CZ2-CG 4.01Å; W165-L322 HydrophobicContact CZ3-CD1 4.08Å; W165-L322 HydrophobicContact CZ3-CD2 4.19Å; W165-L322 HydrophobicContact CZ3-CG 3.85Å; W165-M323 HydrophobicContact CZ3-SD 4.11Å |
| 166 | R | 61.2 | Low | 53.5 | Low | 65 Ų | 65 | 78.4 Ų | 78.4 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -53.5 | -49.8 | 173.9 | 177.2 | -177.4 | 168.4 | 171.4 | 7 | 110.8 | R162 I170 M323 | R162-R166 VanDerWaalsContact O-CB 3.26Å; R162-R166 WeakPolarHBondContact O-CB 2.99Å; R162-R166 PolarHBondContact O-N 3.44Å; R166-I170 HydrophobicContact CG-CD1 3.82Å; R166-I170 WeakPolarHBondContact O-CB 3.33Å; R166-I170 WeakPolarHBondContact O-CG1 3.44Å; R166-I170 PolarHBondContact O-N 2.93Å; R166-M323 VanDerWaalsContact CD-O 3.27Å; R166-M323 WeakPolarHBondContact CD-O 3.37Å; R166-M323 PolarHBondContact NE-O 3.31Å; R166-M323 PolarHBondContact NH1-O 3.37Å; R166-M323 PolarHBondContact NH2-O 2.92Å |
| 167 | K | 57.7 | Low | 53.9 | Low | 139 Ų | 139 | 77.5 Ų | 77.5 | 60% | 0.604 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 179 | -73.6 | -178.9 | -179.8 | 180 | 0 | 112.4 | N163 W165 Q171 | N163-K167 WeakPolarHBondContact O-CG 3.48Å; N163-K167 PolarHBondContact O-N 2.98Å; W165-K167 VanDerWaalsContact C-N 3.31Å; W165-K167 PolarHBondContact O-N 3.43Å; K167-Q171 WeakPolarHBondContact O-CB 3.21Å; K167-Q171 WeakPolarHBondContact O-CG 3.25Å; K167-Q171 PolarHBondContact O-N 2.89Å |
| 168 | N | 61.8 | Low | 54.7 | Low | 64 Ų | 64 | 79.6 Ų | 79.6 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.3 | -41 | 179.8 | -79.2 | -62.1 | 0 | 0 | 0 | 112.9 | C164 W165 Q171 R172 | C164-N168 PolarHBondContact O-N 3.48Å; C164-N168 VanDerWaalsContact O-N 3.08Å; C164-N168 PolarHBondContact O-ND2 2.99Å; W165-N168 PolarHBondContact O-N 3.29Å; N168-Q171 PolarHBondContact O-N 2.86Å; N168-R172 WeakPolarHBondContact O-CB 3.15Å; N168-R172 PolarHBondContact O-N 3.44Å |
| 169 | L | 64.4 | Low | 55.5 | Low | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 177.1 | -179.2 | 66.1 | 0 | 0 | 0 | 110.2 | W165 R172 M173 I286 L290 M323 | W165-L169 HydrophobicContact CE3-CB 4.34Å; W165-L169 HydrophobicContact CE3-CD2 3.72Å; W165-L169 HydrophobicContact CZ3-CD2 3.7Å; W165-L169 WeakPolarHBondContact O-CB 3.48Å; W165-L169 PolarHBondContact O-N 3.37Å; L169-R172 PolarHBondContact O-N 2.83Å; L169-M173 HydrophobicContact CD1-CE 3.22Å; L169-M173 HydrophobicContact CD1-CG 4.02Å; L169-M173 HydrophobicContact CD1-SD 3.47Å; L169-M173 WeakPolarHBondContact CD1-SD 3.48Å; L169-M173 HydrophobicContact CD2-CE 4.04Å; L169-M173 HydrophobicContact CG-CE 3.39Å; L169-M173 HydrophobicContact CG-SD 4.26Å; L169-M173 VanDerWaalsContact O-CB 3.27Å; L169-M173 WeakPolarHBondContact O-CB 3.44Å; L169-M173 VanDerWaalsContact O-CG 3.23Å; L169-M173 WeakPolarHBondContact O-CG 3.26Å; L169-M173 PolarHBondContact O-N 3.17Å; L169-I286 HydrophobicContact CD1-CG2 3.59Å; L169-L290 HydrophobicContact CB-CD1 3.9Å; L169-L290 HydrophobicContact CD1-CD1 3.07Å; L169-L290 HydrophobicContact CD1-CG 4.49Å; L169-L290 HydrophobicContact CG-CD1 4.04Å; L169-M323 HydrophobicContact CD2-CE 3.21Å; L169-M323 HydrophobicContact CD2-SD 3.95Å; L169-M323 HydrophobicContact CG-CE 3.67Å |
| 170 | I | 61.2 | Low | 56.3 | Low | 37 Ų | 37 | 81.1 Ų | 81.1 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 174.7 | -57.3 | 168.8 | 0 | 0 | 0 | 110 | R166 R172 M173 A174 I177 L263 M323 | R166-I170 HydrophobicContact CG-CD1 3.82Å; R166-I170 WeakPolarHBondContact O-CB 3.33Å; R166-I170 WeakPolarHBondContact O-CG1 3.44Å; R166-I170 PolarHBondContact O-N 2.93Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 3.37Å; I170-M173 PolarHBondContact O-N 2.74Å; I170-A174 HydrophobicContact CG2-CB 4.07Å; I170-A174 WeakPolarHBondContact O-CA 3.45Å; I170-A174 WeakPolarHBondContact O-CB 3.31Å; I170-A174 PolarHBondContact O-N 2.9Å; I170-I177 HydrophobicContact CB-CD1 4.22Å; I170-I177 HydrophobicContact CG2-CD1 3.45Å; I170-I177 VanDerWaalsContact CG2-CD1 3.45Å; I170-I177 HydrophobicContact CG2-CG1 4.07Å; I170-L263 HydrophobicContact CD1-CD2 4.43Å; I170-L263 HydrophobicContact CG1-CD2 4.34Å; I170-M323 HydrophobicContact CD1-SD 4.25Å; I170-M323 HydrophobicContact CG1-CE 4.34Å; I170-M323 HydrophobicContact CG1-SD 3.98Å |
| 171 | Q | 55.6 | Low | 57.2 | Low | 127 Ų | 127 | 81.6 Ų | 81.6 | 59% | 0.593 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.1 | -32.1 | 178.8 | -82.6 | 178.7 | -14.8 | 0 | 0 | 114.5 | K167 N168 I177 | K167-Q171 WeakPolarHBondContact O-CB 3.21Å; K167-Q171 WeakPolarHBondContact O-CG 3.25Å; K167-Q171 PolarHBondContact O-N 2.89Å; N168-Q171 PolarHBondContact O-N 2.86Å; Q171-I177 HydrophobicContact CG-CD1 4.14Å |
| 172 | R | 58.8 | Low | 58.7 | Low | 170 Ų | 170 | 79.1 Ų | 79.1 | 64% | 0.642 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -91.5 | -28.5 | 179.8 | -100.7 | 178.8 | 157.6 | 154 | -10.6 | 113.6 | N168 L169 I170 G289 L290 | N168-R172 WeakPolarHBondContact O-CB 3.15Å; N168-R172 PolarHBondContact O-N 3.44Å; L169-R172 PolarHBondContact O-N 2.83Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 3.37Å; R172-G289 PolarHBondContact NH1-O 3.41Å; R172-L290 HydrophobicContact CB-CD2 3.37Å; R172-L290 HydrophobicContact CG-CD2 3.89Å; R172-L290 PolarHBondContact NH1-O 2.89Å |
| 173 | M | 54 | Low | 60 | Low | 41 Ų | 41 | 81.6 Ų | 81.6 | 20% | 0.202 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -88.3 | -34.9 | 177.2 | -60.2 | -159 | -54.9 | 0 | 0 | 112.2 | L169 I170 F175 A266 L270 I286 F319 M323 | L169-M173 HydrophobicContact CD1-CE 3.22Å; L169-M173 HydrophobicContact CD1-CG 4.02Å; L169-M173 HydrophobicContact CD1-SD 3.47Å; L169-M173 WeakPolarHBondContact CD1-SD 3.48Å; L169-M173 HydrophobicContact CD2-CE 4.04Å; L169-M173 HydrophobicContact CG-CE 3.39Å; L169-M173 HydrophobicContact CG-SD 4.26Å; L169-M173 VanDerWaalsContact O-CB 3.27Å; L169-M173 WeakPolarHBondContact O-CB 3.44Å; L169-M173 VanDerWaalsContact O-CG 3.23Å; L169-M173 WeakPolarHBondContact O-CG 3.26Å; L169-M173 PolarHBondContact O-N 3.17Å; I170-M173 PolarHBondContact O-N 2.74Å; M173-F175 PolarHBondContact O-N 3.2Å; M173-A266 HydrophobicContact CB-CB 4.18Å; M173-A266 HydrophobicContact CE-CB 4.18Å; M173-L270 HydrophobicContact CE-CD1 3.9Å; M173-L270 HydrophobicContact SD-CD1 3.68Å; M173-L270 HydrophobicContact SD-CD2 3.71Å; M173-L270 HydrophobicContact SD-CG 4Å; M173-I286 HydrophobicContact SD-CG2 3.91Å; M173-F319 HydrophobicContact CE-CE2 4.25Å; M173-F319 HydrophobicContact CE-CZ 3.87Å; M173-M323 HydrophobicContact CE-CE 3.86Å |
| 174 | A | 51.2 | Low | 61.4 | Low | 14 Ų | 14 | 83.4 Ų | 83.4 | 12% | 0.116 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -84.1 | 96.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | I170 K176 I177 | I170-A174 HydrophobicContact CG2-CB 4.07Å; I170-A174 WeakPolarHBondContact O-CA 3.45Å; I170-A174 WeakPolarHBondContact O-CB 3.31Å; I170-A174 PolarHBondContact O-N 2.9Å; A174-K176 VanDerWaalsContact C-N 3.27Å; A174-K176 PolarHBondContact O-N 3.08Å; A174-I177 HydrophobicContact CB-CG1 3.85Å |
| 175 | F | 45 | Very low | 62.9 | Low | 197 Ų | 197 | 84 Ų | 84 | 86% | 0.864 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 91.7 | 169 | -148 | -95.6 | 0 | 0 | 0 | 108.4 | M173 | M173-F175 PolarHBondContact O-N 3.2Š|
| 176 | K | 45.1 | Very low | 64.2 | Low | 157 Ų | 157 | 86 Ų | 86 | 68% | 0.683 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 89.8 | -172.7 | -52.3 | 174.3 | -179.6 | 177.4 | 0 | 114.4 | A174 D178 | A174-K176 VanDerWaalsContact C-N 3.27Å; A174-K176 PolarHBondContact O-N 3.08Å; K176-D178 PolarHBondContact O-N 2.9Å |
| 177 | I | 51.6 | Low | 65.5 | Low | 81 Ų | 81 | 84.2 Ų | 84.2 | 42% | 0.415 | 40% | 0.402 | S | S | . | . | trans | -70 | 89.4 | 147.6 | -48.4 | 172.8 | 0 | 0 | 0 | 105.5 | I170 Q171 A174 D179 | I170-I177 HydrophobicContact CB-CD1 4.22Å; I170-I177 HydrophobicContact CG2-CD1 3.45Å; I170-I177 VanDerWaalsContact CG2-CD1 3.45Å; I170-I177 HydrophobicContact CG2-CG1 4.07Å; Q171-I177 HydrophobicContact CG-CD1 4.14Å; A174-I177 HydrophobicContact CB-CG1 3.85Å; I177-D179 PolarHBondContact O-N 3.34Å | ||
| 178 | D | 50.6 | Low | 67.1 | Low | 122 Ų | 122 | 83 Ų | 83 | 65% | 0.652 | 40% | 0.397 | S | S | * | . | trans | -62.2 | 132.7 | 164.6 | -73.7 | -31.2 | 0 | 0 | 0 | 106.7 | K176 F180 | K176-D178 PolarHBondContact O-N 2.9Å; D178-F180 PolarHBondContact O-N 2.99Å | ||
| 179 | D | 60.7 | Low | 68.6 | Low | 95 Ų | 95 | 83.3 Ų | 83.3 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | trans | -44.3 | 112.9 | 172.4 | -85.4 | -9.1 | 0 | 0 | 0 | 107.3 | R22 R107 I177 T181 | R22-D179 IonicContact NH2-OD2 3.92Å; R22-D179 PolarHBondContact NH2-OD2 2.94Å; R107-D179 IonicContact NH2-OD2 2.98Å; R107-D179 PolarHBondContact NH2-OD2 3.15Å; I177-D179 PolarHBondContact O-N 3.34Å; D179-T181 PolarHBondContact O-N 2.98Å | ||
| 180 | F | 68.6 | Low | 69.8 | Low | 60 Ų | 60 | 83.3 Ų | 83.3 | 26% | 0.263 | 40% | 0.401 | S | S | . | . | trans | -56.9 | 120.5 | -175.1 | 172.1 | -95.3 | 0 | 0 | 0 | 108.7 | D178 I182 G251 L254 Q255 Q258 | D178-F180 PolarHBondContact O-N 2.99Å; F180-I182 HydrophobicContact CE1-CG1 3.88Å; F180-I182 HydrophobicContact CZ-CG1 4.19Å; F180-G251 WeakPolarHBondContact CE1-O 3.31Å; F180-L254 HydrophobicContact CE1-CB 4.17Å; F180-L254 HydrophobicContact CE2-CB 3.95Å; F180-L254 HydrophobicContact CZ-CB 3.32Å; F180-L254 HydrophobicContact CZ-CD1 4.14Å; F180-L254 HydrophobicContact CZ-CG 4.41Å; F180-Q255 HydrophobicContact CB-CG 4.26Å; F180-Q255 HydrophobicContact CD1-CB 3.79Å; F180-Q255 HydrophobicContact CD1-CG 4.26Å; F180-Q255 HydrophobicContact CD2-CB 4.44Å; F180-Q255 HydrophobicContact CE1-CB 4.08Å; F180-Q255 HydrophobicContact CG-CB 4.02Å; F180-Q255 HydrophobicContact CG-CG 4.15Å; F180-Q258 HydrophobicContact CD2-CB 4.37Å; F180-Q258 HydrophobicContact CD2-CG 4.47Å | ||
| 181 | T | 71.1 | Confident | 71.3 | Confident | 60 Ų | 60 | 86.2 Ų | 86.2 | 37% | 0.368 | 41% | 0.412 | S | S | . | . | trans | -129 | 129.7 | 178.7 | 45.9 | 0 | 0 | 0 | 0 | 109.2 | D179 Q183 | D179-T181 PolarHBondContact O-N 2.98Å; T181-Q183 PolarHBondContact O-N 3.49Å | ||
| 182 | I | 82.4 | Confident | 73 | Confident | 17 Ų | 17 | 84.3 Ų | 84.3 | 9% | 0.087 | 41% | 0.406 | C | S | . | . | trans | -67.3 | 122.7 | 175.9 | -51.4 | 179.2 | 0 | 0 | 0 | 107.9 | L108 F180 Q186 V187 Y250 L254 | L108-I182 HydrophobicContact CD1-CD1 3.68Å; F180-I182 HydrophobicContact CE1-CG1 3.88Å; F180-I182 HydrophobicContact CZ-CG1 4.19Å; I182-Q186 HydrophobicContact CG2-CB 3.69Å; I182-V187 HydrophobicContact CB-CG2 4.16Å; I182-V187 HydrophobicContact CG2-CG2 3.62Å; I182-Y250 HydrophobicContact CD1-CD1 4.36Å; I182-Y250 HydrophobicContact CG2-CE1 4.21Å; I182-L254 HydrophobicContact CG2-CD1 4.18Å | ||
| 183 | Q | 84.5 | Confident | 74.6 | Confident | 120 Ų | 120 | 76.4 Ų | 76.4 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | trans | -68.7 | 153.5 | 178.6 | -61.5 | -67.1 | -27 | 0 | 0 | 111.2 | T181 D185 Q186 V187 | T181-Q183 PolarHBondContact O-N 3.49Å; Q183-D185 VanDerWaalsContact C-N 3.29Å; Q183-D185 WeakPolarHBondContact CB-OD1 3.18Å; Q183-D185 PolarHBondContact O-N 3.37Å; Q183-Q186 HydrophobicContact CB-CG 4.16Å; Q183-Q186 WeakPolarHBondContact O-CB 3.15Å; Q183-Q186 PolarHBondContact O-N 3.34Å; Q183-Q186 VanDerWaalsContact O-N 3.08Å; Q183-V187 PolarHBondContact O-N 2.93Å | ||
| 184 | E | 85.7 | Confident | 76.4 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -33.5 | -173.2 | -164.6 | -166.8 | 137.7 | 0 | 0 | 113.1 | A103 V187 K188 | A103-E184 HydrophobicContact CB-CG 3.89Å; A103-E184 WeakPolarHBondContact CB-OE1 3.43Å; E184-V187 PolarHBondContact O-N 2.87Å; E184-K188 WeakPolarHBondContact O-CG 3.05Å; E184-K188 PolarHBondContact O-N 3.5Å; E184-K188 WeakPolarHBondContact OE1-CE 3.47Å; E184-K188 IonicContact OE1-NZ 2.7Å; E184-K188 PolarHBondContact OE1-NZ 3.27Å |
| 185 | D | 88.2 | Confident | 78.3 | Confident | 85 Ų | 85 | 80.1 Ų | 80.1 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 172.4 | 64.3 | -44.1 | 0 | 0 | 0 | 111.4 | Q183 V187 K188 V189 | Q183-D185 VanDerWaalsContact C-N 3.29Å; Q183-D185 WeakPolarHBondContact CB-OD1 3.18Å; Q183-D185 PolarHBondContact O-N 3.37Å; D185-V187 VanDerWaalsContact C-N 3.35Å; D185-V187 PolarHBondContact O-N 3.44Å; D185-K188 WeakPolarHBondContact O-CB 3.47Å; D185-K188 PolarHBondContact O-N 3.2Å; D185-K188 VanDerWaalsContact O-N 3.16Å; D185-V189 WeakPolarHBondContact O-CG2 3.4Å; D185-V189 PolarHBondContact O-N 3.06Å |
| 186 | Q | 88.1 | Confident | 80.5 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 28% | 0.28 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 176.9 | -58.6 | -58.3 | -56 | 0 | 0 | 111.1 | I182 Q183 K188 V189 A190 Y250 L254 | I182-Q186 HydrophobicContact CG2-CB 3.69Å; Q183-Q186 HydrophobicContact CB-CG 4.16Å; Q183-Q186 WeakPolarHBondContact O-CB 3.15Å; Q183-Q186 PolarHBondContact O-N 3.34Å; Q183-Q186 VanDerWaalsContact O-N 3.08Å; Q186-K188 VanDerWaalsContact C-N 3.31Å; Q186-K188 PolarHBondContact O-N 2.91Å; Q186-V189 PolarHBondContact O-N 2.97Å; Q186-A190 VanDerWaalsContact O-CB 3.3Å; Q186-A190 WeakPolarHBondContact O-CB 3.45Å; Q186-A190 PolarHBondContact O-N 2.67Å; Q186-Y250 HydrophobicContact CB-CE1 4.12Å; Q186-Y250 PolarHBondContact OE1-OH 2.88Å; Q186-L254 HydrophobicContact CB-CD1 4.45Å |
| 187 | V | 90 | Very high | 82.7 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -39 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | I182 Q183 E184 D185 K191 F243 L247 | I182-V187 HydrophobicContact CB-CG2 4.16Å; I182-V187 HydrophobicContact CG2-CG2 3.62Å; Q183-V187 PolarHBondContact O-N 2.93Å; E184-V187 PolarHBondContact O-N 2.87Å; D185-V187 VanDerWaalsContact C-N 3.35Å; D185-V187 PolarHBondContact O-N 3.44Å; V187-K191 VanDerWaalsContact O-CB 3.27Å; V187-K191 WeakPolarHBondContact O-CB 3.26Å; V187-K191 PolarHBondContact O-N 2.68Å; V187-F243 HydrophobicContact CG1-CZ 4.27Å; V187-L247 HydrophobicContact CG1-CD1 4.43Å; V187-L247 HydrophobicContact CG1-CD2 4.45Å |
| 188 | K | 91.3 | Very high | 84.5 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 176.4 | -75.5 | 169 | -174.6 | 165.4 | 0 | 111.5 | E184 D185 Q186 K191 D192 | E184-K188 WeakPolarHBondContact O-CG 3.05Å; E184-K188 PolarHBondContact O-N 3.5Å; E184-K188 WeakPolarHBondContact OE1-CE 3.47Å; E184-K188 IonicContact OE1-NZ 2.7Å; E184-K188 PolarHBondContact OE1-NZ 3.27Å; D185-K188 WeakPolarHBondContact O-CB 3.47Å; D185-K188 PolarHBondContact O-N 3.2Å; D185-K188 VanDerWaalsContact O-N 3.16Å; Q186-K188 VanDerWaalsContact C-N 3.31Å; Q186-K188 PolarHBondContact O-N 2.91Å; K188-K191 WeakPolarHBondContact O-CB 3.27Å; K188-K191 PolarHBondContact O-N 2.93Å; K188-D192 PolarHBondContact O-N 3.06Å |
| 189 | V | 91.7 | Very high | 85.8 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | D185 Q186 K191 D192 V193 L217 | D185-V189 WeakPolarHBondContact O-CG2 3.4Å; D185-V189 PolarHBondContact O-N 3.06Å; Q186-V189 PolarHBondContact O-N 2.97Å; V189-K191 VanDerWaalsContact C-N 3.31Å; V189-K191 PolarHBondContact O-N 2.92Å; V189-D192 PolarHBondContact O-N 3Å; V189-V193 PolarHBondContact O-N 3.34Å; V189-L217 HydrophobicContact CG1-CD2 3.62Å |
| 190 | A | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q186 V193 F194 F246 L247 Y250 | Q186-A190 VanDerWaalsContact O-CB 3.3Å; Q186-A190 WeakPolarHBondContact O-CB 3.45Å; Q186-A190 PolarHBondContact O-N 2.67Å; A190-V193 PolarHBondContact O-N 3.37Å; A190-F194 VanDerWaalsContact O-CB 3.29Å; A190-F194 WeakPolarHBondContact O-CB 3.47Å; A190-F194 PolarHBondContact O-N 3.32Å; A190-F246 HydrophobicContact CB-CE1 3.98Å; A190-L247 HydrophobicContact CB-CD2 3.94Å; A190-Y250 HydrophobicContact CB-CD1 3.86Å; A190-Y250 HydrophobicContact CB-CE1 3.8Å; A190-Y250 HydrophobicContact CB-CG 4.47Å |
| 191 | K | 91.2 | Very high | 87.3 | Confident | 99 Ų | 99 | 79.4 Ų | 79.4 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 176.6 | -169.7 | 172.4 | -172.7 | 169.8 | 0 | 112.6 | V187 K188 V189 F194 K195 F243 | V187-K191 VanDerWaalsContact O-CB 3.27Å; V187-K191 WeakPolarHBondContact O-CB 3.26Å; V187-K191 PolarHBondContact O-N 2.68Å; K188-K191 WeakPolarHBondContact O-CB 3.27Å; K188-K191 PolarHBondContact O-N 2.93Å; V189-K191 VanDerWaalsContact C-N 3.31Å; V189-K191 PolarHBondContact O-N 2.92Å; K191-F194 PolarHBondContact O-N 2.72Å; K191-K195 VanDerWaalsContact O-CG 3.32Å; K191-K195 WeakPolarHBondContact O-CG 3.23Å; K191-K195 PolarHBondContact O-N 3.5Å; K191-F243 HydrophobicContact CB-CE2 3.87Å; K191-F243 HydrophobicContact CB-CZ 3.7Å; K191-F243 HydrophobicContact CD-CZ 4.49Å; K191-F243 HydrophobicContact CG-CE2 4.23Å; K191-F243 HydrophobicContact CG-CZ 4.07Å |
| 192 | D | 92 | Very high | 87.9 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 178 | -73.9 | -15.5 | 0 | 0 | 0 | 111.5 | K188 V189 R196 | K188-D192 PolarHBondContact O-N 3.06Å; V189-D192 PolarHBondContact O-N 3Å; D192-R196 WeakPolarHBondContact O-CG 3.48Å; D192-R196 PolarHBondContact O-N 2.91Å |
| 193 | V | 92.8 | Very high | 88.1 | Confident | 5 Ų | 5 | 87.6 Ų | 87.6 | 3% | 0.03 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 172.7 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | V189 A190 K195 R196 F197 A213 A216 L217 | V189-V193 PolarHBondContact O-N 3.34Å; A190-V193 PolarHBondContact O-N 3.37Å; V193-K195 VanDerWaalsContact C-N 3.27Å; V193-K195 PolarHBondContact O-N 2.89Å; V193-R196 WeakPolarHBondContact O-CB 3.47Å; V193-R196 PolarHBondContact O-N 2.84Å; V193-F197 HydrophobicContact CG1-CD2 3.9Å; V193-F197 HydrophobicContact CG1-CE2 3.81Å; V193-F197 WeakPolarHBondContact O-CD2 3.46Å; V193-F197 PolarHBondContact O-N 3.4Å; V193-A213 HydrophobicContact CG1-CB 4.08Å; V193-A216 HydrophobicContact CG1-CB 4.04Å; V193-A216 HydrophobicContact CG2-CB 4.44Å; V193-L217 HydrophobicContact CB-CD2 3.94Å; V193-L217 HydrophobicContact CB-CG 4.12Å; V193-L217 HydrophobicContact CG1-CD1 4.47Å; V193-L217 HydrophobicContact CG1-CD2 4.46Å; V193-L217 HydrophobicContact CG1-CG 4.1Å; V193-L217 HydrophobicContact CG2-CD2 3.44Å; V193-L217 VanDerWaalsContact CG2-CD2 3.44Å; V193-L217 HydrophobicContact CG2-CG 3.86Å |
| 194 | F | 91.6 | Very high | 88.4 | Confident | 9 Ų | 9 | 85.7 Ų | 85.7 | 4% | 0.039 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -53.1 | -45.6 | 178 | -175.3 | -89.7 | 0 | 0 | 0 | 112 | A190 K191 R196 F197 D198 E203 I205 F243 F246 | A190-F194 VanDerWaalsContact O-CB 3.29Å; A190-F194 WeakPolarHBondContact O-CB 3.47Å; A190-F194 PolarHBondContact O-N 3.32Å; K191-F194 PolarHBondContact O-N 2.72Å; F194-R196 VanDerWaalsContact C-N 3.28Å; F194-R196 PolarHBondContact O-N 3.5Å; F194-F197 PolarHBondContact O-N 2.87Å; F194-F197 VanDerWaalsContact O-N 3.12Å; F194-D198 HydrophobicContact CE1-CB 4.49Å; F194-D198 PolarHBondContact O-N 3.44Å; F194-E203 WeakPolarHBondContact CZ-O 3.45Å; F194-I205 HydrophobicContact CD2-CD1 3.84Å; F194-I205 HydrophobicContact CD2-CG1 4.19Å; F194-I205 HydrophobicContact CD2-CG2 3.93Å; F194-I205 HydrophobicContact CE1-CG2 4.41Å; F194-I205 HydrophobicContact CE2-CB 4.29Å; F194-I205 HydrophobicContact CE2-CD1 3.89Å; F194-I205 HydrophobicContact CE2-CG1 3.74Å; F194-I205 HydrophobicContact CE2-CG2 3.73Å; F194-I205 HydrophobicContact CG-CG2 4.37Å; F194-I205 HydrophobicContact CZ-CG2 3.99Å; F194-F243 HydrophobicContact CB-CD2 3.89Å; F194-F243 HydrophobicContact CB-CE2 4.15Å; F194-F243 HydrophobicContact CD1-CB 4.34Å; F194-F243 AromaticContact CD1-CD2 3.98Å; F194-F243 HydrophobicContact CD1-CD2 3.98Å; F194-F243 HydrophobicContact CD2-CB 4.48Å; F194-F243 AromaticContact CD2-CD2 3.87Å; F194-F243 HydrophobicContact CD2-CD2 3.87Å; F194-F243 HydrophobicContact CE1-CB 4.01Å; F194-F243 HydrophobicContact CE1-CD2 4.48Å; F194-F243 HydrophobicContact CE2-CB 4.15Å; F194-F243 HydrophobicContact CE2-CD2 4.36Å; F194-F243 AromaticContact CG-CD2 3.64Å; F194-F243 HydrophobicContact CG-CD2 3.64Å; F194-F243 HydrophobicContact CG-CE2 4.39Å; F194-F243 HydrophobicContact CZ-CB 3.9Å; F194-F246 HydrophobicContact CB-CD1 4.3Å; F194-F246 HydrophobicContact CB-CE1 4.41Å; F194-F246 HydrophobicContact CD2-CB 3.74Å; F194-F246 AromaticContact CD2-CD1 3.97Å; F194-F246 HydrophobicContact CD2-CD1 3.97Å; F194-F246 HydrophobicContact CD2-CD2 4.39Å; F194-F246 AromaticContact CD2-CG 3.78Å; F194-F246 HydrophobicContact CD2-CG 3.78Å; F194-F246 HydrophobicContact CE2-CB 3.92Å; F194-F246 HydrophobicContact CE2-CG 4.41Å |
| 195 | K | 91 | Very high | 88.6 | Confident | 124 Ų | 124 | 81.4 Ų | 81.4 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -29 | 176.2 | -74.7 | 174.4 | 178.2 | 178.8 | 0 | 114.2 | K191 V193 F197 | K191-K195 VanDerWaalsContact O-CG 3.32Å; K191-K195 WeakPolarHBondContact O-CG 3.23Å; K191-K195 PolarHBondContact O-N 3.5Å; V193-K195 VanDerWaalsContact C-N 3.27Å; V193-K195 PolarHBondContact O-N 2.89Å; K195-F197 VanDerWaalsContact C-N 3.3Å |
| 196 | R | 91.1 | Very high | 88.7 | Confident | 186 Ų | 186 | 78.6 Ų | 78.6 | 70% | 0.702 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.1 | -30.2 | 175.9 | -69.6 | 171.6 | -174.5 | -174 | 2.1 | 111.8 | D192 V193 F194 | D192-R196 WeakPolarHBondContact O-CG 3.48Å; D192-R196 PolarHBondContact O-N 2.91Å; V193-R196 WeakPolarHBondContact O-CB 3.47Å; V193-R196 PolarHBondContact O-N 2.84Å; F194-R196 VanDerWaalsContact C-N 3.28Å; F194-R196 PolarHBondContact O-N 3.5Å |
| 197 | F | 90.7 | Very high | 88.8 | Confident | 41 Ų | 41 | 77.7 Ų | 77.7 | 18% | 0.18 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -91.4 | -24.8 | 179.6 | -73.1 | -82.1 | 0 | 0 | 0 | 113.1 | V193 F194 K195 K199 I205 D209 P212 A213 A216 | V193-F197 HydrophobicContact CG1-CD2 3.9Å; V193-F197 HydrophobicContact CG1-CE2 3.81Å; V193-F197 WeakPolarHBondContact O-CD2 3.46Å; V193-F197 PolarHBondContact O-N 3.4Å; F194-F197 PolarHBondContact O-N 2.87Å; F194-F197 VanDerWaalsContact O-N 3.12Å; K195-F197 VanDerWaalsContact C-N 3.3Å; F197-K199 PolarHBondContact O-N 2.82Å; F197-I205 HydrophobicContact CB-CG2 3.92Å; F197-D209 HydrophobicContact CD1-CB 4.04Å; F197-P212 HydrophobicContact CE1-CB 3.52Å; F197-P212 HydrophobicContact CZ-CB 3.8Å; F197-A213 HydrophobicContact CD2-CB 3.7Å; F197-A213 HydrophobicContact CE2-CB 3.78Å; F197-A213 HydrophobicContact CG-CB 4.21Å; F197-A213 HydrophobicContact CZ-CB 4.31Å; F197-A216 HydrophobicContact CE2-CB 4.05Å; F197-A216 HydrophobicContact CZ-CB 4.4Å |
| 198 | D | 89.1 | Confident | 88.8 | Confident | 24 Ų | 24 | 81.2 Ų | 81.2 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | trans | -73.4 | 70.1 | 170.4 | -175.1 | 12.5 | 0 | 0 | 0 | 111.9 | F194 R200 G201 Q202 E203 I205 | F194-D198 HydrophobicContact CE1-CB 4.49Å; F194-D198 PolarHBondContact O-N 3.44Å; D198-R200 PolarHBondContact O-N 3.16Å; D198-R200 VanDerWaalsContact O-N 3.1Å; D198-G201 PolarHBondContact O-N 3.29Å; D198-G201 WeakPolarHBondContact OD1-CA 3.49Å; D198-G201 PolarHBondContact OD1-N 3.3Å; D198-G201 VanDerWaalsContact OD2-C 3.32Å; D198-G201 VanDerWaalsContact OD2-CA 3.28Å; D198-G201 WeakPolarHBondContact OD2-CA 3.37Å; D198-Q202 PolarHBondContact OD1-N 2.97Å; D198-Q202 PolarHBondContact OD2-N 2.87Å; D198-Q202 VanDerWaalsContact OD2-N 3.13Å; D198-E203 WeakPolarHBondContact OD2-CA 3.18Å; D198-E203 PolarHBondContact OD2-N 3.1Å; D198-I205 HydrophobicContact CB-CG2 4.28Å | ||
| 199 | K | 78.5 | Confident | 88.7 | Confident | 180 Ų | 180 | 78 Ų | 78 | 78% | 0.783 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.5 | -179.7 | -67.1 | 174.7 | -177 | 167.8 | 0 | 113.3 | F197 | F197-K199 PolarHBondContact O-N 2.82Š|
| 200 | R | 78.5 | Confident | 88.7 | Confident | 205 Ų | 205 | 74.6 Ų | 74.6 | 77% | 0.774 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -2.5 | -173 | -62.6 | -172.9 | 179.6 | -151.4 | 1.2 | 113.1 | D198 Q202 | D198-R200 PolarHBondContact O-N 3.16Å; D198-R200 VanDerWaalsContact O-N 3.1Å; R200-Q202 HydrophobicContact CB-CB 4.5Å; R200-Q202 HydrophobicContact CB-CG 3.69Å; R200-Q202 PolarHBondContact O-N 2.74Å |
| 201 | G | 82.1 | Confident | 88.7 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 62% | 0.619 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 59.6 | 31.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D198 E203 | D198-G201 PolarHBondContact O-N 3.29Å; D198-G201 WeakPolarHBondContact OD1-CA 3.49Å; D198-G201 PolarHBondContact OD1-N 3.3Å; D198-G201 VanDerWaalsContact OD2-C 3.32Å; D198-G201 VanDerWaalsContact OD2-CA 3.28Å; D198-G201 WeakPolarHBondContact OD2-CA 3.37Å; G201-E203 VanDerWaalsContact C-N 3.29Å |
| 202 | Q | 83.3 | Confident | 88.7 | Confident | 92 Ų | 92 | 73.2 Ų | 73.2 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -89.5 | 3.4 | -177.7 | -69.4 | -176.7 | -7.7 | 0 | 0 | 112.5 | D198 R200 K204 | D198-Q202 PolarHBondContact OD1-N 2.97Å; D198-Q202 PolarHBondContact OD2-N 2.87Å; D198-Q202 VanDerWaalsContact OD2-N 3.13Å; R200-Q202 HydrophobicContact CB-CB 4.5Å; R200-Q202 HydrophobicContact CB-CG 3.69Å; R200-Q202 PolarHBondContact O-N 2.74Å; Q202-K204 HydrophobicContact CB-CD 4.31Å; Q202-K204 HydrophobicContact CB-CG 3.74Å; Q202-K204 PolarHBondContact O-N 3.33Å |
| 203 | E | 86.6 | Confident | 88.7 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 73% | 0.734 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 58.4 | 23.9 | -174.9 | -56.4 | -171.6 | 153.1 | 0 | 0 | 113.2 | F194 D198 G201 | F194-E203 WeakPolarHBondContact CZ-O 3.45Å; D198-E203 WeakPolarHBondContact OD2-CA 3.18Å; D198-E203 PolarHBondContact OD2-N 3.1Å; G201-E203 VanDerWaalsContact C-N 3.29Å |
| 204 | K | 91.1 | Very high | 88.7 | Confident | 81 Ų | 81 | 69 Ų | 69 | 35% | 0.352 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148 | 179.6 | 63.4 | -175.8 | -179.1 | 168.8 | 0 | 111.1 | Q202 F240 I241 | Q202-K204 HydrophobicContact CB-CD 4.31Å; Q202-K204 HydrophobicContact CB-CG 3.74Å; Q202-K204 PolarHBondContact O-N 3.33Å; K204-F240 HydrophobicContact CB-CB 4.33Å; K204-F240 HydrophobicContact CD-CB 4Å; K204-F240 HydrophobicContact CD-CD1 4.26Å; K204-F240 HydrophobicContact CD-CG 4.11Å; K204-F240 HydrophobicContact CG-CB 4.41Å; K204-F240 HydrophobicContact CG-CD1 4.3Å; K204-I241 CarbonylContact C-O 3.46Å; K204-I241 VanDerWaalsContact CA-O 3.22Å; K204-I241 WeakPolarHBondContact CA-O 3.48Å; K204-I241 WeakPolarHBondContact CB-O 3.46Å |
| 205 | I | 91.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 152.2 | 176.2 | 62.4 | 175.1 | 0 | 0 | 0 | 109.8 | F194 F197 D198 L210 F240 I241 F246 | F194-I205 HydrophobicContact CD2-CD1 3.84Å; F194-I205 HydrophobicContact CD2-CG1 4.19Å; F194-I205 HydrophobicContact CD2-CG2 3.93Å; F194-I205 HydrophobicContact CE1-CG2 4.41Å; F194-I205 HydrophobicContact CE2-CB 4.29Å; F194-I205 HydrophobicContact CE2-CD1 3.89Å; F194-I205 HydrophobicContact CE2-CG1 3.74Å; F194-I205 HydrophobicContact CE2-CG2 3.73Å; F194-I205 HydrophobicContact CG-CG2 4.37Å; F194-I205 HydrophobicContact CZ-CG2 3.99Å; F197-I205 HydrophobicContact CB-CG2 3.92Å; D198-I205 HydrophobicContact CB-CG2 4.28Å; I205-L210 HydrophobicContact CD1-CD2 4Å; I205-F240 CarbonylContact O-C 3.52Å; I205-F240 VanDerWaalsContact O-CA 3.29Å; I205-F240 WeakPolarHBondContact O-CA 3.31Å; I205-I241 HydrophobicContact CD1-CD1 4.17Å; I205-I241 HydrophobicContact CD1-CG1 4.15Å; I205-I241 HydrophobicContact CG1-CD1 4.17Å; I205-I241 HydrophobicContact CG1-CG1 3.59Å; I205-I241 PolarHBondContact N-O 2.76Å; I205-I241 PolarHBondContact O-N 3.41Å; I205-F246 HydrophobicContact CD1-CB 4.47Å; I205-F246 HydrophobicContact CD1-CD2 3.59Å; I205-F246 HydrophobicContact CD1-CE2 4.09Å; I205-F246 HydrophobicContact CD1-CG 4.24Å |
| 206 | S | 90.8 | Very high | 88.7 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 143.9 | 174.9 | -178 | 0 | 0 | 0 | 0 | 110.4 | T208 D209 L210 G239 | S206-T208 WeakPolarHBondContact CB-OG1 3.38Å; S206-T208 PolarHBondContact O-N 3.04Å; S206-T208 VanDerWaalsContact O-N 3.15Å; S206-T208 PolarHBondContact OG-N 2.82Å; S206-T208 PolarHBondContact OG-OG1 3.37Å; S206-D209 WeakPolarHBondContact O-CB 3.27Å; S206-D209 PolarHBondContact O-N 3.02Å; S206-L210 PolarHBondContact O-N 2.87Å; S206-G239 WeakPolarHBondContact CA-O 3.1Å |
| 207 | T | 89.5 | Confident | 88.7 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 26% | 0.258 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -58.3 | -25.8 | 171.6 | 54.4 | 0 | 0 | 0 | 0 | 112 | D209 L210 A230 G239 I241 | T207-D209 VanDerWaalsContact C-N 3.34Å; T207-L210 WeakPolarHBondContact O-CB 3.34Å; T207-L210 PolarHBondContact O-N 3.32Å; T207-A230 HydrophobicContact CG2-CB 4.09Å; T207-G239 PolarHBondContact N-O 3.43Å; T207-G239 PolarHBondContact OG1-O 3.13Å; T207-I241 HydrophobicContact CG2-CG2 4.1Å |
| 208 | T | 88.8 | Confident | 88.7 | Confident | 103 Ų | 103 | 71 Ų | 71 | 63% | 0.632 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -70.7 | -27.7 | 173 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | S206 L210 P212 | S206-T208 WeakPolarHBondContact CB-OG1 3.38Å; S206-T208 PolarHBondContact O-N 3.04Å; S206-T208 VanDerWaalsContact O-N 3.15Å; S206-T208 PolarHBondContact OG-N 2.82Å; S206-T208 PolarHBondContact OG-OG1 3.37Å; T208-L210 VanDerWaalsContact C-N 3.31Å; T208-P212 WeakPolarHBondContact O-CD 3.26Å |
| 209 | D | 90.5 | Very high | 88.7 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -84.2 | -9.7 | -179.4 | -69.3 | -33.2 | 0 | 0 | 0 | 112.2 | F197 S206 T207 G211 P212 A213 | F197-D209 HydrophobicContact CD1-CB 4.04Å; S206-D209 WeakPolarHBondContact O-CB 3.27Å; S206-D209 PolarHBondContact O-N 3.02Å; T207-D209 VanDerWaalsContact C-N 3.34Å; D209-G211 PolarHBondContact O-N 2.79Å; D209-P212 WeakPolarHBondContact O-CD 3.28Å; D209-A213 VanDerWaalsContact O-CB 3.29Å; D209-A213 WeakPolarHBondContact O-CB 3.3Å; D209-A213 PolarHBondContact O-N 3.28Å |
| 210 | L | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 173.6 | -80.4 | 174.6 | 0 | 0 | 0 | 112.5 | I205 S206 T207 T208 A213 F214 L226 A230 I241 F246 | I205-L210 HydrophobicContact CD1-CD2 4Å; S206-L210 PolarHBondContact O-N 2.87Å; T207-L210 WeakPolarHBondContact O-CB 3.34Å; T207-L210 PolarHBondContact O-N 3.32Å; T208-L210 VanDerWaalsContact C-N 3.31Å; L210-A213 WeakPolarHBondContact O-CB 3.49Å; L210-A213 PolarHBondContact O-N 3.03Å; L210-A213 VanDerWaalsContact O-N 3.11Å; L210-F214 HydrophobicContact CD2-CD2 4.47Å; L210-F214 HydrophobicContact CD2-CE2 3.99Å; L210-F214 VanDerWaalsContact O-CD2 3.24Å; L210-F214 WeakPolarHBondContact O-CD2 3.19Å; L210-F214 PolarHBondContact O-N 2.98Å; L210-L226 HydrophobicContact CB-CD1 4.32Å; L210-L226 HydrophobicContact CB-CD2 4.04Å; L210-L226 HydrophobicContact CB-CG 4.29Å; L210-A230 HydrophobicContact CD1-CB 3.59Å; L210-I241 HydrophobicContact CD1-CD1 3.92Å; L210-I241 HydrophobicContact CD2-CD1 3.34Å; L210-I241 HydrophobicContact CD2-CG1 4.39Å; L210-I241 HydrophobicContact CG-CD1 3.89Å; L210-F246 HydrophobicContact CD2-CD2 3.68Å; L210-F246 HydrophobicContact CD2-CE2 4.06Å |
| 211 | G | 91.3 | Very high | 89.6 | Confident | 16 Ų | 16 | 60 Ų | 60 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -51.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D209 A213 R215 L226 | D209-G211 PolarHBondContact O-N 2.79Å; G211-A213 VanDerWaalsContact C-N 3.33Å; G211-A213 PolarHBondContact O-N 2.89Å; G211-R215 WeakPolarHBondContact O-CG 3.45Å; G211-R215 PolarHBondContact O-N 3.11Å; G211-R215 VanDerWaalsContact O-N 3.15Å; G211-L226 VanDerWaalsContact CA-CD2 3.46Å |
| 212 | P | 91.8 | Very high | 90 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 170.2 | -28.8 | 36.8 | 0 | 0 | 0 | 114.3 | F197 T208 D209 R215 A216 | F197-P212 HydrophobicContact CE1-CB 3.52Å; F197-P212 HydrophobicContact CZ-CB 3.8Å; T208-P212 WeakPolarHBondContact O-CD 3.26Å; D209-P212 WeakPolarHBondContact O-CD 3.28Å; P212-R215 PolarHBondContact O-N 3.42Å; P212-A216 PolarHBondContact O-N 3.4Å |
| 213 | A | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V193 F197 D209 L210 G211 R215 A216 L217 F246 | V193-A213 HydrophobicContact CG1-CB 4.08Å; F197-A213 HydrophobicContact CD2-CB 3.7Å; F197-A213 HydrophobicContact CE2-CB 3.78Å; F197-A213 HydrophobicContact CG-CB 4.21Å; F197-A213 HydrophobicContact CZ-CB 4.31Å; D209-A213 VanDerWaalsContact O-CB 3.29Å; D209-A213 WeakPolarHBondContact O-CB 3.3Å; D209-A213 PolarHBondContact O-N 3.28Å; L210-A213 WeakPolarHBondContact O-CB 3.49Å; L210-A213 PolarHBondContact O-N 3.03Å; L210-A213 VanDerWaalsContact O-N 3.11Å; G211-A213 VanDerWaalsContact C-N 3.33Å; G211-A213 PolarHBondContact O-N 2.89Å; A213-R215 VanDerWaalsContact C-N 3.34Å; A213-R215 PolarHBondContact O-N 3.3Å; A213-A216 WeakPolarHBondContact O-CB 3.22Å; A213-A216 PolarHBondContact O-N 2.98Å; A213-A216 VanDerWaalsContact O-N 3.16Å; A213-L217 PolarHBondContact O-N 3.45Å; A213-L217 VanDerWaalsContact O-N 3.16Å; A213-F246 HydrophobicContact CB-CE2 3.85Å; A213-F246 HydrophobicContact CB-CZ 4.22Å |
| 214 | F | 92 | Very high | 90.5 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.2 | -84.5 | -116.1 | 0 | 0 | 0 | 111.5 | L210 A216 L217 N218 L219 V221 L226 W229 F246 C249 K253 | L210-F214 HydrophobicContact CD2-CD2 4.47Å; L210-F214 HydrophobicContact CD2-CE2 3.99Å; L210-F214 VanDerWaalsContact O-CD2 3.24Å; L210-F214 WeakPolarHBondContact O-CD2 3.19Å; L210-F214 PolarHBondContact O-N 2.98Å; F214-A216 VanDerWaalsContact C-N 3.3Å; F214-A216 PolarHBondContact O-N 2.79Å; F214-L217 CarbonylContact O-C 3.59Å; F214-L217 WeakPolarHBondContact O-CA 3.43Å; F214-L217 WeakPolarHBondContact O-CB 3.38Å; F214-L217 PolarHBondContact O-N 3.25Å; F214-N218 PolarHBondContact O-N 3.14Å; F214-L219 CarbonylContact C-O 3.56Å; F214-L219 HydrophobicContact CB-CB 4.4Å; F214-L219 HydrophobicContact CD1-CB 4.15Å; F214-L219 HydrophobicContact CD1-CD1 4.12Å; F214-L219 HydrophobicContact CE1-CD1 4.43Å; F214-L219 PolarHBondContact O-N 3.09Å; F214-V221 HydrophobicContact CD1-CG2 3.62Å; F214-V221 HydrophobicContact CE1-CG2 4.13Å; F214-L226 HydrophobicContact CD2-CD1 4.36Å; F214-L226 HydrophobicContact CE1-CD1 4.49Å; F214-L226 HydrophobicContact CE2-CD1 4.22Å; F214-L226 HydrophobicContact CZ-CD1 4.28Å; F214-W229 HydrophobicContact CE1-CZ3 4.39Å; F214-F246 HydrophobicContact CD2-CE2 4.07Å; F214-F246 HydrophobicContact CE2-CD2 4.23Å; F214-F246 AromaticContact CE2-CE2 3.72Å; F214-F246 HydrophobicContact CE2-CE2 3.72Å; F214-F246 HydrophobicContact CE2-CZ 4.41Å; F214-C249 HydrophobicContact CE2-CB 4.27Å; F214-C249 HydrophobicContact CZ-CB 3.71Å; F214-K253 HydrophobicContact CE1-CB 3.97Å; F214-K253 HydrophobicContact CE1-CG 4.46Å |
| 215 | R | 92.4 | Very high | 90.4 | Very high | 183 Ų | 183 | 60.7 Ų | 60.7 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.7 | -37.1 | 172 | -73 | -174.7 | -117.9 | -152 | -1.7 | 112.7 | G211 P212 A213 L217 N218 | G211-R215 WeakPolarHBondContact O-CG 3.45Å; G211-R215 PolarHBondContact O-N 3.11Å; G211-R215 VanDerWaalsContact O-N 3.15Å; P212-R215 PolarHBondContact O-N 3.42Å; A213-R215 VanDerWaalsContact C-N 3.34Å; A213-R215 PolarHBondContact O-N 3.3Å; R215-L217 PolarHBondContact O-N 3.46Å; R215-N218 PolarHBondContact O-N 2.77Å |
| 216 | A | 91.9 | Very high | 90.3 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.1 | -22 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V193 F197 P212 A213 F214 N218 | V193-A216 HydrophobicContact CG1-CB 4.04Å; V193-A216 HydrophobicContact CG2-CB 4.44Å; F197-A216 HydrophobicContact CE2-CB 4.05Å; F197-A216 HydrophobicContact CZ-CB 4.4Å; P212-A216 PolarHBondContact O-N 3.4Å; A213-A216 WeakPolarHBondContact O-CB 3.22Å; A213-A216 PolarHBondContact O-N 2.98Å; A213-A216 VanDerWaalsContact O-N 3.16Å; F214-A216 VanDerWaalsContact C-N 3.3Å; F214-A216 PolarHBondContact O-N 2.79Å; A216-N218 VanDerWaalsContact C-N 3.29Å |
| 217 | L | 91.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 5.2 | 171.7 | -67.8 | 167.8 | 0 | 0 | 0 | 113.1 | V189 V193 A213 F214 R215 L219 F246 Y250 | V189-L217 HydrophobicContact CG1-CD2 3.62Å; V193-L217 HydrophobicContact CB-CD2 3.94Å; V193-L217 HydrophobicContact CB-CG 4.12Å; V193-L217 HydrophobicContact CG1-CD1 4.47Å; V193-L217 HydrophobicContact CG1-CD2 4.46Å; V193-L217 HydrophobicContact CG1-CG 4.1Å; V193-L217 HydrophobicContact CG2-CD2 3.44Å; V193-L217 VanDerWaalsContact CG2-CD2 3.44Å; V193-L217 HydrophobicContact CG2-CG 3.86Å; A213-L217 PolarHBondContact O-N 3.45Å; A213-L217 VanDerWaalsContact O-N 3.16Å; F214-L217 CarbonylContact O-C 3.59Å; F214-L217 WeakPolarHBondContact O-CA 3.43Å; F214-L217 WeakPolarHBondContact O-CB 3.38Å; F214-L217 PolarHBondContact O-N 3.25Å; R215-L217 PolarHBondContact O-N 3.46Å; L217-L219 HydrophobicContact CB-CD1 4.3Å; L217-L219 HydrophobicContact CB-CG 4.17Å; L217-L219 PolarHBondContact O-N 3.01Å; L217-F246 HydrophobicContact CD1-CE1 4.19Å; L217-F246 HydrophobicContact CD1-CZ 3.7Å; L217-Y250 HydrophobicContact CD1-CD2 3.73Å; L217-Y250 HydrophobicContact CD1-CE2 3.72Å; L217-Y250 HydrophobicContact CG-CE2 4.49Å |
| 218 | N | 90.3 | Very high | 90.3 | Very high | 151 Ų | 151 | 69.6 Ų | 69.6 | 81% | 0.807 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 28.8 | -171 | -62.6 | -33.2 | 0 | 0 | 0 | 113.8 | F214 R215 A216 | F214-N218 PolarHBondContact O-N 3.14Å; R215-N218 PolarHBondContact O-N 2.77Å; A216-N218 VanDerWaalsContact C-N 3.29Å |
| 219 | L | 89.5 | Confident | 90.4 | Very high | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | trans | -102.4 | 132 | 174.4 | -63 | 179.6 | 0 | 0 | 0 | 110.4 | F214 L217 Y250 K253 | F214-L219 CarbonylContact C-O 3.56Å; F214-L219 HydrophobicContact CB-CB 4.4Å; F214-L219 HydrophobicContact CD1-CB 4.15Å; F214-L219 HydrophobicContact CD1-CD1 4.12Å; F214-L219 HydrophobicContact CE1-CD1 4.43Å; F214-L219 PolarHBondContact O-N 3.09Å; L217-L219 HydrophobicContact CB-CD1 4.3Å; L217-L219 HydrophobicContact CB-CG 4.17Å; L217-L219 PolarHBondContact O-N 3.01Å; L219-Y250 HydrophobicContact CD1-CD2 3.55Å; L219-Y250 HydrophobicContact CD1-CE2 3.42Å; L219-Y250 VanDerWaalsContact CD1-CE2 3.42Å; L219-K253 HydrophobicContact CB-CG 4.34Å; L219-K253 HydrophobicContact CD1-CB 4.35Å; L219-K253 HydrophobicContact CD1-CG 3.89Å; L219-K253 HydrophobicContact CD2-CG 4.32Å; L219-K253 HydrophobicContact CG-CG 4.43Å | ||
| 220 | T | 86.9 | Confident | 90.3 | Very high | 124 Ų | 124 | 64 Ų | 64 | 76% | 0.761 | 34% | 0.335 | S | S | * | . | trans | -105.9 | 115.4 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | K253 | T220-K253 WeakPolarHBondContact O-CE 3.21Š| ||
| 221 | V | 88.2 | Confident | 90.2 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | trans | -125.1 | 140.1 | 177.6 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | F214 T225 L226 W229 K253 | F214-V221 HydrophobicContact CD1-CG2 3.62Å; F214-V221 HydrophobicContact CE1-CG2 4.13Å; V221-T225 HydrophobicContact CG1-CG2 4.44Å; V221-L226 HydrophobicContact CG1-CB 3.98Å; V221-W229 HydrophobicContact CG1-CE3 4.26Å; V221-W229 HydrophobicContact CG1-CH2 4.01Å; V221-W229 HydrophobicContact CG1-CZ3 3.66Å; V221-W229 HydrophobicContact CG2-CZ3 4.05Å; V221-K253 HydrophobicContact CG2-CB 4.48Å; V221-K253 HydrophobicContact CG2-CD 3.78Å; V221-K253 HydrophobicContact CG2-CG 3.87Å | ||
| 222 | K | 90.4 | Very high | 90 | Very high | 155 Ų | 155 | 71.6 Ų | 71.6 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | trans | -63.3 | 141 | 174.4 | -70.2 | 179.5 | -179 | 172.1 | 0 | 109.8 | D224 T225 L226 | K222-D224 PolarHBondContact O-N 2.84Å; K222-T225 PolarHBondContact O-N 2.87Å; K222-L226 WeakPolarHBondContact O-CB 3.04Å; K222-L226 PolarHBondContact O-N 2.93Å | ||
| 223 | P | 88.9 | Confident | 89.9 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 65% | 0.649 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.6 | -35 | -177.3 | 25 | -33.9 | 0 | 0 | 0 | 112.3 | L226 K227 | P223-L226 PolarHBondContact O-N 2.79Å; P223-K227 WeakPolarHBondContact O-CB 3.41Å; P223-K227 PolarHBondContact O-N 3Å |
| 224 | D | 91.1 | Very high | 89.8 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.8 | -50.7 | 179.3 | -56.2 | -38.5 | 0 | 0 | 0 | 111.3 | K222 L226 K227 E228 | K222-D224 PolarHBondContact O-N 2.84Å; D224-L226 VanDerWaalsContact C-N 3.3Å; D224-L226 PolarHBondContact O-N 2.7Å; D224-K227 WeakPolarHBondContact O-CB 3.33Å; D224-K227 PolarHBondContact O-N 2.76Å; D224-K227 VanDerWaalsContact O-N 3.13Å; D224-E228 WeakPolarHBondContact O-CG 3.35Å; D224-E228 PolarHBondContact O-N 3.23Å |
| 225 | T | 89 | Confident | 89.3 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 23% | 0.233 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.5 | -49.2 | 0 | 0 | 0 | 0 | 112 | V221 K222 K227 E228 W229 | V221-T225 HydrophobicContact CG1-CG2 4.44Å; K222-T225 PolarHBondContact O-N 2.87Å; T225-K227 VanDerWaalsContact C-N 3.31Å; T225-K227 PolarHBondContact O-N 3.49Å; T225-E228 PolarHBondContact O-N 2.81Å; T225-W229 HydrophobicContact CG2-CD2 4.29Å; T225-W229 HydrophobicContact CG2-CH2 4.26Å; T225-W229 HydrophobicContact CG2-CZ2 3.61Å; T225-W229 PolarHBondContact O-N 3.39Å |
| 226 | L | 90.3 | Very high | 89 | Confident | 15 Ų | 15 | 76.2 Ų | 76.2 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.8 | -36.3 | 178 | -174.2 | 61.5 | 0 | 0 | 0 | 111.8 | L210 G211 F214 V221 K222 P223 D224 W229 A230 | L210-L226 HydrophobicContact CB-CD1 4.32Å; L210-L226 HydrophobicContact CB-CD2 4.04Å; L210-L226 HydrophobicContact CB-CG 4.29Å; G211-L226 VanDerWaalsContact CA-CD2 3.46Å; F214-L226 HydrophobicContact CD2-CD1 4.36Å; F214-L226 HydrophobicContact CE1-CD1 4.49Å; F214-L226 HydrophobicContact CE2-CD1 4.22Å; F214-L226 HydrophobicContact CZ-CD1 4.28Å; V221-L226 HydrophobicContact CG1-CB 3.98Å; K222-L226 WeakPolarHBondContact O-CB 3.04Å; K222-L226 PolarHBondContact O-N 2.93Å; P223-L226 PolarHBondContact O-N 2.79Å; D224-L226 VanDerWaalsContact C-N 3.3Å; D224-L226 PolarHBondContact O-N 2.7Å; L226-W229 HydrophobicContact CD1-CE3 4.26Å; L226-W229 PolarHBondContact O-N 3.33Å; L226-A230 WeakPolarHBondContact O-CB 3.31Å; L226-A230 PolarHBondContact O-N 2.93Å |
| 227 | K | 89.6 | Confident | 88.7 | Confident | 135 Ų | 135 | 78.1 Ų | 78.1 | 59% | 0.587 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 174.1 | -174.6 | -174.4 | 173.9 | -168.9 | 0 | 110.8 | P223 D224 T225 W229 A230 D231 | P223-K227 WeakPolarHBondContact O-CB 3.41Å; P223-K227 PolarHBondContact O-N 3Å; D224-K227 WeakPolarHBondContact O-CB 3.33Å; D224-K227 PolarHBondContact O-N 2.76Å; D224-K227 VanDerWaalsContact O-N 3.13Å; T225-K227 VanDerWaalsContact C-N 3.31Å; T225-K227 PolarHBondContact O-N 3.49Å; K227-W229 VanDerWaalsContact C-N 3.31Å; K227-W229 PolarHBondContact O-N 3.16Å; K227-A230 WeakPolarHBondContact O-CB 3.45Å; K227-A230 PolarHBondContact O-N 3.44Å; K227-A230 VanDerWaalsContact O-N 3.11Å; K227-D231 WeakPolarHBondContact O-CB 3.06Å; K227-D231 PolarHBondContact O-N 2.8Å |
| 228 | E | 89.8 | Confident | 88.5 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 174.9 | -69.4 | 168.4 | -171.9 | 0 | 0 | 112.1 | D224 T225 A230 D231 Q232 | D224-E228 WeakPolarHBondContact O-CG 3.35Å; D224-E228 PolarHBondContact O-N 3.23Å; T225-E228 PolarHBondContact O-N 2.81Å; E228-A230 VanDerWaalsContact C-N 3.35Å; E228-D231 PolarHBondContact O-N 2.86Å; E228-Q232 WeakPolarHBondContact O-CB 3.44Å; E228-Q232 VanDerWaalsContact O-CG 3.23Å; E228-Q232 WeakPolarHBondContact O-CG 3.07Å; E228-Q232 PolarHBondContact O-N 3.32Å |
| 229 | W | 89.9 | Confident | 88.5 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 10% | 0.098 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 175.8 | -65 | -8.4 | 0 | 0 | 0 | 112.7 | F214 V221 T225 L226 K227 Q232 V233 K252 K253 | F214-W229 HydrophobicContact CE1-CZ3 4.39Å; V221-W229 HydrophobicContact CG1-CE3 4.26Å; V221-W229 HydrophobicContact CG1-CH2 4.01Å; V221-W229 HydrophobicContact CG1-CZ3 3.66Å; V221-W229 HydrophobicContact CG2-CZ3 4.05Å; T225-W229 HydrophobicContact CG2-CD2 4.29Å; T225-W229 HydrophobicContact CG2-CH2 4.26Å; T225-W229 HydrophobicContact CG2-CZ2 3.61Å; T225-W229 PolarHBondContact O-N 3.39Å; L226-W229 HydrophobicContact CD1-CE3 4.26Å; L226-W229 PolarHBondContact O-N 3.33Å; K227-W229 VanDerWaalsContact C-N 3.31Å; K227-W229 PolarHBondContact O-N 3.16Å; W229-Q232 PolarHBondContact O-N 2.67Å; W229-V233 WeakPolarHBondContact O-CG2 3.4Å; W229-V233 PolarHBondContact O-N 3.42Å; W229-K252 HydrophobicContact CD2-CB 4.37Å; W229-K252 HydrophobicContact CD2-CD 4.29Å; W229-K252 HydrophobicContact CG-CD 4.1Å; W229-K252 HydrophobicContact CH2-CB 4.45Å; W229-K252 HydrophobicContact CZ2-CB 4.24Å; W229-K253 HydrophobicContact CH2-CB 3.98Å; W229-K253 HydrophobicContact CH2-CD 4.13Å; W229-K253 HydrophobicContact CZ3-CB 3.83Å |
| 230 | A | 89.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 3% | 0.033 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T207 L210 L226 K227 E228 Q232 V233 D234 | T207-A230 HydrophobicContact CG2-CB 4.09Å; L210-A230 HydrophobicContact CD1-CB 3.59Å; L226-A230 WeakPolarHBondContact O-CB 3.31Å; L226-A230 PolarHBondContact O-N 2.93Å; K227-A230 WeakPolarHBondContact O-CB 3.45Å; K227-A230 PolarHBondContact O-N 3.44Å; K227-A230 VanDerWaalsContact O-N 3.11Å; E228-A230 VanDerWaalsContact C-N 3.35Å; A230-Q232 VanDerWaalsContact C-N 3.29Å; A230-Q232 PolarHBondContact O-N 2.94Å; A230-V233 PolarHBondContact O-N 3.36Å; A230-V233 VanDerWaalsContact O-N 3.09Å; A230-D234 WeakPolarHBondContact O-CB 3.45Å; A230-D234 PolarHBondContact O-N 2.88Å |
| 231 | D | 89 | Confident | 88.6 | Confident | 92 Ų | 92 | 72 Ų | 72 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 179 | -66.5 | -14.1 | 0 | 0 | 0 | 111.5 | K227 E228 V233 | K227-D231 WeakPolarHBondContact O-CB 3.06Å; K227-D231 PolarHBondContact O-N 2.8Å; E228-D231 PolarHBondContact O-N 2.86Å; D231-V233 VanDerWaalsContact C-N 3.29Å; D231-V233 PolarHBondContact O-N 2.9Å |
| 232 | Q | 86.8 | Confident | 88.7 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.4 | 174.4 | -75.2 | 174 | 31.9 | 0 | 0 | 114.4 | E228 W229 A230 | E228-Q232 WeakPolarHBondContact O-CB 3.44Å; E228-Q232 VanDerWaalsContact O-CG 3.23Å; E228-Q232 WeakPolarHBondContact O-CG 3.07Å; E228-Q232 PolarHBondContact O-N 3.32Å; W229-Q232 PolarHBondContact O-N 2.67Å; A230-Q232 VanDerWaalsContact C-N 3.29Å; A230-Q232 PolarHBondContact O-N 2.94Å |
| 233 | V | 88.2 | Confident | 88.7 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -32.7 | -177.8 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | W229 A230 D231 D235 I241 I248 | W229-V233 WeakPolarHBondContact O-CG2 3.4Å; W229-V233 PolarHBondContact O-N 3.42Å; A230-V233 PolarHBondContact O-N 3.36Å; A230-V233 VanDerWaalsContact O-N 3.09Å; D231-V233 VanDerWaalsContact C-N 3.29Å; D231-V233 PolarHBondContact O-N 2.9Å; V233-D235 VanDerWaalsContact C-N 3.34Å; V233-D235 PolarHBondContact O-N 3.18Å; V233-I241 HydrophobicContact CB-CG2 4.47Å; V233-I241 HydrophobicContact CG1-CB 4.18Å; V233-I241 HydrophobicContact CG1-CG2 3.78Å; V233-I248 HydrophobicContact CG2-CB 4.05Å; V233-I248 HydrophobicContact CG2-CD1 4.5Å; V233-I248 HydrophobicContact CG2-CG2 3.77Å |
| 234 | D | 90.2 | Very high | 88.7 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 11% | 0.107 | 37% | 0.37 | C | S | . | . | trans | -94.2 | 61.2 | 174.8 | -173.7 | 29.4 | 0 | 0 | 0 | 110.2 | A230 D236 A237 T238 G239 I241 | A230-D234 WeakPolarHBondContact O-CB 3.45Å; A230-D234 PolarHBondContact O-N 2.88Å; D234-D236 PolarHBondContact O-N 2.78Å; D234-A237 PolarHBondContact O-N 3.43Å; D234-A237 PolarHBondContact OD1-N 3.33Å; D234-A237 WeakPolarHBondContact OD2-CA 3.23Å; D234-T238 VanDerWaalsContact CG-N 3.29Å; D234-T238 WeakPolarHBondContact OD1-CB 3.36Å; D234-T238 PolarHBondContact OD1-N 2.88Å; D234-T238 PolarHBondContact OD1-OG1 3.17Å; D234-T238 PolarHBondContact OD2-N 2.93Å; D234-G239 WeakPolarHBondContact OD2-CA 3.41Å; D234-G239 PolarHBondContact OD2-N 3.42Å; D234-I241 HydrophobicContact CB-CG2 4.2Å | ||
| 235 | D | 82 | Confident | 88.6 | Confident | 141 Ų | 141 | 63.3 Ų | 63.3 | 75% | 0.754 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26 | 178.9 | -72.8 | -28.7 | 0 | 0 | 0 | 112.4 | V233 A237 | V233-D235 VanDerWaalsContact C-N 3.34Å; V233-D235 PolarHBondContact O-N 3.18Å; D235-A237 VanDerWaalsContact C-N 3.34Å |
| 236 | D | 86.4 | Confident | 88.6 | Confident | 144 Ų | 144 | 61.5 Ų | 61.5 | 77% | 0.77 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.2 | 179.1 | -69.7 | -35.9 | 0 | 0 | 0 | 113.4 | D234 T238 | D234-D236 PolarHBondContact O-N 2.78Å; D236-T238 HydrophobicContact CB-CG2 3.65Å; D236-T238 PolarHBondContact O-N 2.78Å; D236-T238 VanDerWaalsContact O-N 3.15Å |
| 237 | A | 85.6 | Confident | 88.6 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 71% | 0.711 | 33% | 0.328 | S | S | * | . | trans | 49.2 | 37.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D234 D235 G239 | D234-A237 PolarHBondContact O-N 3.43Å; D234-A237 PolarHBondContact OD1-N 3.33Å; D234-A237 WeakPolarHBondContact OD2-CA 3.23Å; D235-A237 VanDerWaalsContact C-N 3.34Å; A237-G239 PolarHBondContact O-N 3.46Å | ||
| 238 | T | 87.4 | Confident | 88.5 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | trans | -73.2 | -19.9 | -178.2 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | D234 D236 F240 | D234-T238 VanDerWaalsContact CG-N 3.29Å; D234-T238 WeakPolarHBondContact OD1-CB 3.36Å; D234-T238 PolarHBondContact OD1-N 2.88Å; D234-T238 PolarHBondContact OD1-OG1 3.17Å; D234-T238 PolarHBondContact OD2-N 2.93Å; D236-T238 HydrophobicContact CB-CG2 3.65Å; D236-T238 PolarHBondContact O-N 2.78Å; D236-T238 VanDerWaalsContact O-N 3.15Å; T238-F240 VanDerWaalsContact O-CD2 3.26Å; T238-F240 WeakPolarHBondContact O-CD2 3.31Å; T238-F240 PolarHBondContact OG1-N 3.43Å; T238-F240 VanDerWaalsContact OG1-N 3.1Å; T238-F240 PolarHBondContact OG1-O 2.86Å | ||
| 239 | G | 89.2 | Confident | 88.4 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 76.7 | 7.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S206 T207 D234 A237 | S206-G239 WeakPolarHBondContact CA-O 3.1Å; T207-G239 PolarHBondContact N-O 3.43Å; T207-G239 PolarHBondContact OG1-O 3.13Å; D234-G239 WeakPolarHBondContact OD2-CA 3.41Å; D234-G239 PolarHBondContact OD2-N 3.42Å; A237-G239 PolarHBondContact O-N 3.46Å |
| 240 | F | 89.9 | Confident | 88.4 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.2 | -179.9 | -62.5 | -84.2 | 0 | 0 | 0 | 110.9 | K204 I205 T238 | K204-F240 HydrophobicContact CB-CB 4.33Å; K204-F240 HydrophobicContact CD-CB 4Å; K204-F240 HydrophobicContact CD-CD1 4.26Å; K204-F240 HydrophobicContact CD-CG 4.11Å; K204-F240 HydrophobicContact CG-CB 4.41Å; K204-F240 HydrophobicContact CG-CD1 4.3Å; I205-F240 CarbonylContact O-C 3.52Å; I205-F240 VanDerWaalsContact O-CA 3.29Å; I205-F240 WeakPolarHBondContact O-CA 3.31Å; T238-F240 VanDerWaalsContact O-CD2 3.26Å; T238-F240 WeakPolarHBondContact O-CD2 3.31Å; T238-F240 PolarHBondContact OG1-N 3.43Å; T238-F240 VanDerWaalsContact OG1-N 3.1Å; T238-F240 PolarHBondContact OG1-O 2.86Å |
| 241 | I | 89.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.5 | 171.5 | 64.8 | 165.6 | 0 | 0 | 0 | 110.2 | K204 I205 T207 L210 V233 D234 F246 | K204-I241 CarbonylContact C-O 3.46Å; K204-I241 VanDerWaalsContact CA-O 3.22Å; K204-I241 WeakPolarHBondContact CA-O 3.48Å; K204-I241 WeakPolarHBondContact CB-O 3.46Å; I205-I241 HydrophobicContact CD1-CD1 4.17Å; I205-I241 HydrophobicContact CD1-CG1 4.15Å; I205-I241 HydrophobicContact CG1-CD1 4.17Å; I205-I241 HydrophobicContact CG1-CG1 3.59Å; I205-I241 PolarHBondContact N-O 2.76Å; I205-I241 PolarHBondContact O-N 3.41Å; T207-I241 HydrophobicContact CG2-CG2 4.1Å; L210-I241 HydrophobicContact CD1-CD1 3.92Å; L210-I241 HydrophobicContact CD2-CD1 3.34Å; L210-I241 HydrophobicContact CD2-CG1 4.39Å; L210-I241 HydrophobicContact CG-CD1 3.89Å; V233-I241 HydrophobicContact CB-CG2 4.47Å; V233-I241 HydrophobicContact CG1-CB 4.18Å; V233-I241 HydrophobicContact CG1-CG2 3.78Å; D234-I241 HydrophobicContact CB-CG2 4.2Å; I241-F246 HydrophobicContact CD1-CB 3.99Å; I241-F246 HydrophobicContact CD1-CD2 4.35Å |
| 242 | D | 90.5 | Very high | 88.2 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 177.5 | 172.3 | 73.2 | -19 | 0 | 0 | 0 | 111 | N244 G245 F246 | D242-N244 PolarHBondContact O-N 2.88Å; D242-N244 PolarHBondContact OD1-N 3.05Å; D242-G245 PolarHBondContact O-N 2.87Å; D242-G245 PolarHBondContact OD1-N 2.96Å; D242-F246 PolarHBondContact O-N 2.91Å |
| 243 | F | 89.5 | Confident | 88.3 | Confident | 51 Ų | 51 | 44 Ų | 44 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -33.3 | 179.2 | -178.9 | -116.6 | 0 | 0 | 0 | 112.6 | V187 K191 F194 F246 L247 | V187-F243 HydrophobicContact CG1-CZ 4.27Å; K191-F243 HydrophobicContact CB-CE2 3.87Å; K191-F243 HydrophobicContact CB-CZ 3.7Å; K191-F243 HydrophobicContact CD-CZ 4.49Å; K191-F243 HydrophobicContact CG-CE2 4.23Å; K191-F243 HydrophobicContact CG-CZ 4.07Å; F194-F243 HydrophobicContact CB-CD2 3.89Å; F194-F243 HydrophobicContact CB-CE2 4.15Å; F194-F243 HydrophobicContact CD1-CB 4.34Å; F194-F243 AromaticContact CD1-CD2 3.98Å; F194-F243 HydrophobicContact CD1-CD2 3.98Å; F194-F243 HydrophobicContact CD2-CB 4.48Å; F194-F243 AromaticContact CD2-CD2 3.87Å; F194-F243 HydrophobicContact CD2-CD2 3.87Å; F194-F243 HydrophobicContact CE1-CB 4.01Å; F194-F243 HydrophobicContact CE1-CD2 4.48Å; F194-F243 HydrophobicContact CE2-CB 4.15Å; F194-F243 HydrophobicContact CE2-CD2 4.36Å; F194-F243 AromaticContact CG-CD2 3.64Å; F194-F243 HydrophobicContact CG-CD2 3.64Å; F194-F243 HydrophobicContact CG-CE2 4.39Å; F194-F243 HydrophobicContact CZ-CB 3.9Å; F243-F246 HydrophobicContact CD2-CD1 4.46Å; F243-F246 HydrophobicContact CE2-CD1 4.41Å; F243-F246 PolarHBondContact O-N 3.32Å; F243-L247 HydrophobicContact CD1-CD1 4.02Å; F243-L247 HydrophobicContact CD1-CG 4.42Å; F243-L247 HydrophobicContact CE1-CD1 3.46Å; F243-L247 VanDerWaalsContact CE1-CD1 3.46Å; F243-L247 HydrophobicContact CE1-CD2 4.48Å; F243-L247 HydrophobicContact CE1-CG 3.96Å; F243-L247 HydrophobicContact CE2-CD1 4.46Å; F243-L247 HydrophobicContact CE2-CD2 4.18Å; F243-L247 HydrophobicContact CE2-CG 4.06Å; F243-L247 HydrophobicContact CZ-CD1 3.71Å; F243-L247 HydrophobicContact CZ-CD2 3.86Å; F243-L247 HydrophobicContact CZ-CG 3.77Å; F243-L247 WeakPolarHBondContact O-CG 3.31Å; F243-L247 PolarHBondContact O-N 2.89Å |
| 244 | N | 88.6 | Confident | 88.3 | Confident | 80 Ų | 80 | 43.8 Ų | 43.8 | 43% | 0.428 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 177.9 | -172.2 | 42.2 | 0 | 0 | 0 | 111 | D242 F246 L247 I248 | D242-N244 PolarHBondContact O-N 2.88Å; D242-N244 PolarHBondContact OD1-N 3.05Å; N244-F246 VanDerWaalsContact C-N 3.31Å; N244-F246 PolarHBondContact O-N 2.98Å; N244-L247 WeakPolarHBondContact O-CB 3.24Å; N244-L247 PolarHBondContact O-N 2.86Å; N244-L247 VanDerWaalsContact O-N 3.13Å; N244-I248 WeakPolarHBondContact O-CG1 3.23Å; N244-I248 PolarHBondContact O-N 2.86Å |
| 245 | G | 88.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | D242 L247 I248 C249 | D242-G245 PolarHBondContact O-N 2.87Å; D242-G245 PolarHBondContact OD1-N 2.96Å; G245-L247 VanDerWaalsContact C-N 3.33Å; G245-L247 PolarHBondContact O-N 2.89Å; G245-I248 WeakPolarHBondContact O-CB 3.13Å; G245-I248 PolarHBondContact O-N 3Å; G245-C249 PolarHBondContact O-N 3.46Å; G245-C249 VanDerWaalsContact O-N 3.16Å |
| 246 | F | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 174 | -178.2 | -105.7 | 0 | 0 | 0 | 112.2 | A190 F194 I205 L210 A213 F214 L217 I241 D242 F243 N244 I248 C249 Y250 | A190-F246 HydrophobicContact CB-CE1 3.98Å; F194-F246 HydrophobicContact CB-CD1 4.3Å; F194-F246 HydrophobicContact CB-CE1 4.41Å; F194-F246 HydrophobicContact CD2-CB 3.74Å; F194-F246 AromaticContact CD2-CD1 3.97Å; F194-F246 HydrophobicContact CD2-CD1 3.97Å; F194-F246 HydrophobicContact CD2-CD2 4.39Å; F194-F246 AromaticContact CD2-CG 3.78Å; F194-F246 HydrophobicContact CD2-CG 3.78Å; F194-F246 HydrophobicContact CE2-CB 3.92Å; F194-F246 HydrophobicContact CE2-CG 4.41Å; I205-F246 HydrophobicContact CD1-CB 4.47Å; I205-F246 HydrophobicContact CD1-CD2 3.59Å; I205-F246 HydrophobicContact CD1-CE2 4.09Å; I205-F246 HydrophobicContact CD1-CG 4.24Å; L210-F246 HydrophobicContact CD2-CD2 3.68Å; L210-F246 HydrophobicContact CD2-CE2 4.06Å; A213-F246 HydrophobicContact CB-CE2 3.85Å; A213-F246 HydrophobicContact CB-CZ 4.22Å; F214-F246 HydrophobicContact CD2-CE2 4.07Å; F214-F246 HydrophobicContact CE2-CD2 4.23Å; F214-F246 AromaticContact CE2-CE2 3.72Å; F214-F246 HydrophobicContact CE2-CE2 3.72Å; F214-F246 HydrophobicContact CE2-CZ 4.41Å; L217-F246 HydrophobicContact CD1-CE1 4.19Å; L217-F246 HydrophobicContact CD1-CZ 3.7Å; I241-F246 HydrophobicContact CD1-CB 3.99Å; I241-F246 HydrophobicContact CD1-CD2 4.35Å; D242-F246 PolarHBondContact O-N 2.91Å; F243-F246 HydrophobicContact CD2-CD1 4.46Å; F243-F246 HydrophobicContact CE2-CD1 4.41Å; F243-F246 PolarHBondContact O-N 3.32Å; N244-F246 VanDerWaalsContact C-N 3.31Å; N244-F246 PolarHBondContact O-N 2.98Å; F246-I248 VanDerWaalsContact C-N 3.32Å; F246-I248 PolarHBondContact O-N 3.39Å; F246-C249 PolarHBondContact O-N 2.78Å; F246-Y250 VanDerWaalsContact O-CB 3.28Å; F246-Y250 WeakPolarHBondContact O-CB 3.39Å; F246-Y250 PolarHBondContact O-N 3.45Å |
| 247 | L | 90 | Very high | 87.9 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -32.5 | 176.5 | -74.4 | 179.9 | 0 | 0 | 0 | 112.9 | L108 V187 A190 F243 N244 G245 Y250 G251 | L108-L247 HydrophobicContact CD1-CB 4.04Å; V187-L247 HydrophobicContact CG1-CD1 4.43Å; V187-L247 HydrophobicContact CG1-CD2 4.45Å; A190-L247 HydrophobicContact CB-CD2 3.94Å; F243-L247 HydrophobicContact CD1-CD1 4.02Å; F243-L247 HydrophobicContact CD1-CG 4.42Å; F243-L247 HydrophobicContact CE1-CD1 3.46Å; F243-L247 VanDerWaalsContact CE1-CD1 3.46Å; F243-L247 HydrophobicContact CE1-CD2 4.48Å; F243-L247 HydrophobicContact CE1-CG 3.96Å; F243-L247 HydrophobicContact CE2-CD1 4.46Å; F243-L247 HydrophobicContact CE2-CD2 4.18Å; F243-L247 HydrophobicContact CE2-CG 4.06Å; F243-L247 HydrophobicContact CZ-CD1 3.71Å; F243-L247 HydrophobicContact CZ-CD2 3.86Å; F243-L247 HydrophobicContact CZ-CG 3.77Å; F243-L247 WeakPolarHBondContact O-CG 3.31Å; F243-L247 PolarHBondContact O-N 2.89Å; N244-L247 WeakPolarHBondContact O-CB 3.24Å; N244-L247 PolarHBondContact O-N 2.86Å; N244-L247 VanDerWaalsContact O-N 3.13Å; G245-L247 VanDerWaalsContact C-N 3.33Å; G245-L247 PolarHBondContact O-N 2.89Å; L247-Y250 HydrophobicContact CD2-CD1 4.36Å; L247-G251 WeakPolarHBondContact O-CA 3.35Å; L247-G251 PolarHBondContact O-N 3.31Å |
| 248 | I | 87.3 | Confident | 87.6 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -51.8 | 173.2 | -69.2 | 165.1 | 0 | 0 | 0 | 109.8 | L108 V233 N244 G245 F246 Y250 G251 K252 | L108-I248 HydrophobicContact CD2-CD1 4.43Å; L108-I248 HydrophobicContact CD2-CG1 3.52Å; V233-I248 HydrophobicContact CG2-CB 4.05Å; V233-I248 HydrophobicContact CG2-CD1 4.5Å; V233-I248 HydrophobicContact CG2-CG2 3.77Å; N244-I248 WeakPolarHBondContact O-CG1 3.23Å; N244-I248 PolarHBondContact O-N 2.86Å; G245-I248 WeakPolarHBondContact O-CB 3.13Å; G245-I248 PolarHBondContact O-N 3Å; F246-I248 VanDerWaalsContact C-N 3.32Å; F246-I248 PolarHBondContact O-N 3.39Å; I248-Y250 VanDerWaalsContact C-N 3.35Å; I248-Y250 PolarHBondContact O-N 2.75Å; I248-G251 PolarHBondContact O-N 3.36Å; I248-K252 WeakPolarHBondContact O-CG 3.46Å; I248-K252 PolarHBondContact O-N 3.36Å |
| 249 | C | 88.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 178.3 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | F214 G245 F246 K252 K253 | F214-C249 HydrophobicContact CE2-CB 4.27Å; F214-C249 HydrophobicContact CZ-CB 3.71Å; G245-C249 PolarHBondContact O-N 3.46Å; G245-C249 VanDerWaalsContact O-N 3.16Å; F246-C249 PolarHBondContact O-N 2.78Å; C249-K252 PolarHBondContact O-N 3.39Å; C249-K253 PolarHBondContact O-N 3.02Å; C249-K253 VanDerWaalsContact O-N 3.13Å |
| 250 | Y | 89.4 | Confident | 86.9 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 179.1 | 178.9 | -119.2 | 0 | 0 | 0 | 111.7 | I182 Q186 A190 L217 L219 F246 L247 I248 K253 L254 | I182-Y250 HydrophobicContact CD1-CD1 4.36Å; I182-Y250 HydrophobicContact CG2-CE1 4.21Å; Q186-Y250 HydrophobicContact CB-CE1 4.12Å; Q186-Y250 PolarHBondContact OE1-OH 2.88Å; A190-Y250 HydrophobicContact CB-CD1 3.86Å; A190-Y250 HydrophobicContact CB-CE1 3.8Å; A190-Y250 HydrophobicContact CB-CG 4.47Å; L217-Y250 HydrophobicContact CD1-CD2 3.73Å; L217-Y250 HydrophobicContact CD1-CE2 3.72Å; L217-Y250 HydrophobicContact CG-CE2 4.49Å; L219-Y250 HydrophobicContact CD1-CD2 3.55Å; L219-Y250 HydrophobicContact CD1-CE2 3.42Å; L219-Y250 VanDerWaalsContact CD1-CE2 3.42Å; F246-Y250 VanDerWaalsContact O-CB 3.28Å; F246-Y250 WeakPolarHBondContact O-CB 3.39Å; F246-Y250 PolarHBondContact O-N 3.45Å; L247-Y250 HydrophobicContact CD2-CD1 4.36Å; I248-Y250 VanDerWaalsContact C-N 3.35Å; I248-Y250 PolarHBondContact O-N 2.75Å; Y250-K253 PolarHBondContact O-N 2.84Å; Y250-L254 HydrophobicContact CD1-CD1 3.97Å; Y250-L254 HydrophobicContact CD2-CG 4.45Å; Y250-L254 HydrophobicContact CE1-CD1 3.48Å; Y250-L254 VanDerWaalsContact CE1-CD1 3.48Å; Y250-L254 HydrophobicContact CE1-CG 4.3Å; Y250-L254 HydrophobicContact CE2-CD1 4.15Å; Y250-L254 HydrophobicContact CE2-CD2 4.3Å; Y250-L254 HydrophobicContact CE2-CG 4.12Å; Y250-L254 WeakPolarHBondContact O-CG 3.47Å; Y250-L254 PolarHBondContact O-N 3.25Å |
| 251 | G | 88.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F180 L247 I248 K253 L254 Q255 | F180-G251 WeakPolarHBondContact CE1-O 3.31Å; L247-G251 WeakPolarHBondContact O-CA 3.35Å; L247-G251 PolarHBondContact O-N 3.31Å; I248-G251 PolarHBondContact O-N 3.36Å; G251-K253 VanDerWaalsContact C-N 3.31Å; G251-K253 PolarHBondContact O-N 3.04Å; G251-L254 PolarHBondContact O-N 2.77Å; G251-Q255 VanDerWaalsContact O-CB 3.31Å; G251-Q255 WeakPolarHBondContact O-CB 3.39Å; G251-Q255 PolarHBondContact O-N 2.91Å |
| 252 | K | 86.3 | Confident | 86.1 | Confident | 25 Ų | 25 | 40 Ų | 40 | 11% | 0.109 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.9 | -44.8 | 174.3 | -76.4 | 178.8 | 179.1 | 173.2 | 0 | 111.7 | W229 I248 C249 Q255 E256 | W229-K252 HydrophobicContact CD2-CB 4.37Å; W229-K252 HydrophobicContact CD2-CD 4.29Å; W229-K252 HydrophobicContact CG-CD 4.1Å; W229-K252 HydrophobicContact CH2-CB 4.45Å; W229-K252 HydrophobicContact CZ2-CB 4.24Å; I248-K252 WeakPolarHBondContact O-CG 3.46Å; I248-K252 PolarHBondContact O-N 3.36Å; C249-K252 PolarHBondContact O-N 3.39Å; K252-Q255 PolarHBondContact O-N 3.41Å; K252-E256 WeakPolarHBondContact O-CB 3.43Å; K252-E256 PolarHBondContact O-N 2.95Å |
| 253 | K | 88.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 178.4 | -176.7 | 48.4 | -179.6 | 160.6 | 0 | 112.5 | F214 L219 T220 V221 W229 C249 Y250 G251 Q255 E256 D257 | F214-K253 HydrophobicContact CE1-CB 3.97Å; F214-K253 HydrophobicContact CE1-CG 4.46Å; L219-K253 HydrophobicContact CB-CG 4.34Å; L219-K253 HydrophobicContact CD1-CB 4.35Å; L219-K253 HydrophobicContact CD1-CG 3.89Å; L219-K253 HydrophobicContact CD2-CG 4.32Å; L219-K253 HydrophobicContact CG-CG 4.43Å; T220-K253 WeakPolarHBondContact O-CE 3.21Å; V221-K253 HydrophobicContact CG2-CB 4.48Å; V221-K253 HydrophobicContact CG2-CD 3.78Å; V221-K253 HydrophobicContact CG2-CG 3.87Å; W229-K253 HydrophobicContact CH2-CB 3.98Å; W229-K253 HydrophobicContact CH2-CD 4.13Å; W229-K253 HydrophobicContact CZ3-CB 3.83Å; C249-K253 PolarHBondContact O-N 3.02Å; C249-K253 VanDerWaalsContact O-N 3.13Å; Y250-K253 PolarHBondContact O-N 2.84Å; G251-K253 VanDerWaalsContact C-N 3.31Å; G251-K253 PolarHBondContact O-N 3.04Å; K253-Q255 PolarHBondContact O-N 3.38Å; K253-E256 VanDerWaalsContact CD-OE2 3.23Å; K253-E256 WeakPolarHBondContact CD-OE2 3.47Å; K253-E256 IonicContact NZ-OE2 2.85Å; K253-E256 PolarHBondContact NZ-OE2 3.02Å; K253-E256 PolarHBondContact O-N 3.02Å; K253-D257 WeakPolarHBondContact CE-OD1 3.31Å; K253-D257 IonicContact NZ-OD1 2.69Å; K253-D257 PolarHBondContact NZ-OD1 2.99Å; K253-D257 PolarHBondContact O-N 2.86Å |
| 254 | L | 87.4 | Confident | 85.5 | Confident | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 178.1 | -72 | 179.5 | 0 | 0 | 0 | 112.3 | F180 I182 Q186 Y250 G251 Q258 | F180-L254 HydrophobicContact CE1-CB 4.17Å; F180-L254 HydrophobicContact CE2-CB 3.95Å; F180-L254 HydrophobicContact CZ-CB 3.32Å; F180-L254 HydrophobicContact CZ-CD1 4.14Å; F180-L254 HydrophobicContact CZ-CG 4.41Å; I182-L254 HydrophobicContact CG2-CD1 4.18Å; Q186-L254 HydrophobicContact CB-CD1 4.45Å; Y250-L254 HydrophobicContact CD1-CD1 3.97Å; Y250-L254 HydrophobicContact CD2-CG 4.45Å; Y250-L254 HydrophobicContact CE1-CD1 3.48Å; Y250-L254 VanDerWaalsContact CE1-CD1 3.48Å; Y250-L254 HydrophobicContact CE1-CG 4.3Å; Y250-L254 HydrophobicContact CE2-CD1 4.15Å; Y250-L254 HydrophobicContact CE2-CD2 4.3Å; Y250-L254 HydrophobicContact CE2-CG 4.12Å; Y250-L254 WeakPolarHBondContact O-CG 3.47Å; Y250-L254 PolarHBondContact O-N 3.25Å; G251-L254 PolarHBondContact O-N 2.77Å; L254-Q258 WeakPolarHBondContact O-CB 3.38Å; L254-Q258 PolarHBondContact O-N 3.25Å |
| 255 | Q | 83.1 | Confident | 85.2 | Confident | 62 Ų | 62 | 39 Ų | 39 | 29% | 0.29 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.2 | -46.7 | 174.1 | -174.2 | 177.8 | -7.4 | 0 | 0 | 111.1 | F180 G251 K252 K253 D257 Q258 D259 | F180-Q255 HydrophobicContact CB-CG 4.26Å; F180-Q255 HydrophobicContact CD1-CB 3.79Å; F180-Q255 HydrophobicContact CD1-CG 4.26Å; F180-Q255 HydrophobicContact CD2-CB 4.44Å; F180-Q255 HydrophobicContact CE1-CB 4.08Å; F180-Q255 HydrophobicContact CG-CB 4.02Å; F180-Q255 HydrophobicContact CG-CG 4.15Å; G251-Q255 VanDerWaalsContact O-CB 3.31Å; G251-Q255 WeakPolarHBondContact O-CB 3.39Å; G251-Q255 PolarHBondContact O-N 2.91Å; K252-Q255 PolarHBondContact O-N 3.41Å; K253-Q255 PolarHBondContact O-N 3.38Å; Q255-D257 VanDerWaalsContact C-N 3.3Å; Q255-D257 PolarHBondContact O-N 3.4Å; Q255-Q258 CarbonylContact O-C 3.56Å; Q255-Q258 WeakPolarHBondContact O-CA 3.44Å; Q255-Q258 WeakPolarHBondContact O-CB 3.35Å; Q255-Q258 PolarHBondContact O-N 3.1Å; Q255-D259 WeakPolarHBondContact O-CB 3.15Å; Q255-D259 VanDerWaalsContact O-CG 3.26Å; Q255-D259 PolarHBondContact O-N 3.2Å |
| 256 | E | 82.9 | Confident | 84.7 | Confident | 66 Ų | 66 | 39.3 Ų | 39.3 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.5 | -46.1 | 175.2 | -176.6 | -170.4 | -155.1 | 0 | 0 | 111.3 | K252 K253 Q258 D259 E260 | K252-E256 WeakPolarHBondContact O-CB 3.43Å; K252-E256 PolarHBondContact O-N 2.95Å; K253-E256 VanDerWaalsContact CD-OE2 3.23Å; K253-E256 WeakPolarHBondContact CD-OE2 3.47Å; K253-E256 IonicContact NZ-OE2 2.85Å; K253-E256 PolarHBondContact NZ-OE2 3.02Å; K253-E256 PolarHBondContact O-N 3.02Å; E256-Q258 VanDerWaalsContact C-N 3.28Å; E256-Q258 PolarHBondContact O-N 3.38Å; E256-D259 PolarHBondContact O-N 3.26Å; E256-E260 PolarHBondContact O-N 2.85Å |
| 257 | D | 84.5 | Confident | 84.4 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -31.4 | 177.9 | -65.9 | -19.6 | 0 | 0 | 0 | 112.1 | K253 Q255 R261 | K253-D257 WeakPolarHBondContact CE-OD1 3.31Å; K253-D257 IonicContact NZ-OD1 2.69Å; K253-D257 PolarHBondContact NZ-OD1 2.99Å; K253-D257 PolarHBondContact O-N 2.86Å; Q255-D257 VanDerWaalsContact C-N 3.3Å; Q255-D257 PolarHBondContact O-N 3.4Å; D257-R261 VanDerWaalsContact C-NH1 3.35Å; D257-R261 VanDerWaalsContact O-CG 3.3Å; D257-R261 WeakPolarHBondContact O-CG 3.46Å; D257-R261 VanDerWaalsContact O-CZ 3.25Å; D257-R261 PolarHBondContact O-N 2.95Å; D257-R261 PolarHBondContact O-NH1 3.01Å |
| 258 | Q | 80.2 | Confident | 84.1 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.6 | -47.1 | 175 | -179.5 | 60.3 | 35.6 | 0 | 0 | 111.1 | F180 L254 Q255 E256 E260 R261 D262 | F180-Q258 HydrophobicContact CD2-CB 4.37Å; F180-Q258 HydrophobicContact CD2-CG 4.47Å; L254-Q258 WeakPolarHBondContact O-CB 3.38Å; L254-Q258 PolarHBondContact O-N 3.25Å; Q255-Q258 CarbonylContact O-C 3.56Å; Q255-Q258 WeakPolarHBondContact O-CA 3.44Å; Q255-Q258 WeakPolarHBondContact O-CB 3.35Å; Q255-Q258 PolarHBondContact O-N 3.1Å; E256-Q258 VanDerWaalsContact C-N 3.28Å; E256-Q258 PolarHBondContact O-N 3.38Å; Q258-E260 VanDerWaalsContact C-N 3.31Å; Q258-E260 PolarHBondContact O-N 3.13Å; Q258-R261 WeakPolarHBondContact O-CB 3.35Å; Q258-R261 PolarHBondContact O-N 3.36Å; Q258-R261 VanDerWaalsContact O-N 3.1Å; Q258-D262 PolarHBondContact NE2-OD1 3.47Å; Q258-D262 PolarHBondContact NE2-OD2 3.21Å; Q258-D262 VanDerWaalsContact O-CG 3.28Å; Q258-D262 PolarHBondContact O-N 3.16Å |
| 259 | D | 79.9 | Confident | 83.8 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 176.9 | -68 | -16.8 | 0 | 0 | 0 | 110.1 | Q255 E256 R261 D262 L263 | Q255-D259 WeakPolarHBondContact O-CB 3.15Å; Q255-D259 VanDerWaalsContact O-CG 3.26Å; Q255-D259 PolarHBondContact O-N 3.2Å; E256-D259 PolarHBondContact O-N 3.26Å; D259-R261 PolarHBondContact O-N 3.47Å; D259-D262 PolarHBondContact O-N 3.19Å; D259-L263 WeakPolarHBondContact O-CB 3.42Å; D259-L263 VanDerWaalsContact O-CG 3.23Å; D259-L263 WeakPolarHBondContact O-CG 3.3Å; D259-L263 PolarHBondContact O-N 3.33Å |
| 260 | E | 82.9 | Confident | 83.4 | Confident | 57 Ų | 57 | 52 Ų | 52 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.9 | -167.7 | -167.8 | 147.5 | 0 | 0 | 111.9 | E256 Q258 L263 R264 Y320 | E256-E260 PolarHBondContact O-N 2.85Å; Q258-E260 VanDerWaalsContact C-N 3.31Å; Q258-E260 PolarHBondContact O-N 3.13Å; E260-L263 PolarHBondContact O-N 2.79Å; E260-R264 WeakPolarHBondContact O-CG 3.23Å; E260-R264 PolarHBondContact O-N 3.41Å; E260-R264 IonicContact OE1-CZ 3.29Å; E260-R264 VanDerWaalsContact OE1-CZ 3.29Å; E260-R264 IonicContact OE1-NE 2.91Å; E260-R264 PolarHBondContact OE1-NE 2.98Å; E260-R264 IonicContact OE1-NH2 2.76Å; E260-R264 PolarHBondContact OE1-NH2 3.43Å; E260-Y320 HydrophobicContact CG-CE2 4.13Å |
| 261 | R | 82.6 | Confident | 83.2 | Confident | 116 Ų | 116 | 52.4 Ų | 52.4 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.7 | -77 | -173.9 | -61.2 | -87.3 | 7.2 | 111.6 | D257 Q258 D259 L263 R264 D265 | D257-R261 VanDerWaalsContact C-NH1 3.35Å; D257-R261 VanDerWaalsContact O-CG 3.3Å; D257-R261 WeakPolarHBondContact O-CG 3.46Å; D257-R261 VanDerWaalsContact O-CZ 3.25Å; D257-R261 PolarHBondContact O-N 2.95Å; D257-R261 PolarHBondContact O-NH1 3.01Å; Q258-R261 WeakPolarHBondContact O-CB 3.35Å; Q258-R261 PolarHBondContact O-N 3.36Å; Q258-R261 VanDerWaalsContact O-N 3.1Å; D259-R261 PolarHBondContact O-N 3.47Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-L263 PolarHBondContact O-N 3.38Å; R261-R264 PolarHBondContact O-N 3.35Å; R261-D265 PolarHBondContact O-N 3.28Å |
| 262 | D | 79.4 | Confident | 82.8 | Confident | 42 Ų | 42 | 59 Ų | 59 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | -179.8 | -67.9 | -24.7 | 0 | 0 | 0 | 110.9 | Q258 D259 D265 A266 | Q258-D262 PolarHBondContact NE2-OD1 3.47Å; Q258-D262 PolarHBondContact NE2-OD2 3.21Å; Q258-D262 VanDerWaalsContact O-CG 3.28Å; Q258-D262 PolarHBondContact O-N 3.16Å; D259-D262 PolarHBondContact O-N 3.19Å; D262-D265 PolarHBondContact O-N 3.13Å; D262-A266 VanDerWaalsContact O-CB 3.31Å; D262-A266 WeakPolarHBondContact O-CB 3.42Å; D262-A266 PolarHBondContact O-N 2.96Å |
| 263 | L | 83 | Confident | 82.7 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 172.6 | -72.3 | 178.7 | 0 | 0 | 0 | 112.5 | I170 D259 E260 R261 A266 F267 F319 Y320 M323 T324 | I170-L263 HydrophobicContact CD1-CD2 4.43Å; I170-L263 HydrophobicContact CG1-CD2 4.34Å; D259-L263 WeakPolarHBondContact O-CB 3.42Å; D259-L263 VanDerWaalsContact O-CG 3.23Å; D259-L263 WeakPolarHBondContact O-CG 3.3Å; D259-L263 PolarHBondContact O-N 3.33Å; E260-L263 PolarHBondContact O-N 2.79Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-L263 PolarHBondContact O-N 3.38Å; L263-A266 PolarHBondContact O-N 2.95Å; L263-F267 WeakPolarHBondContact O-CB 3.44Å; L263-F267 PolarHBondContact O-N 3.31Å; L263-F319 HydrophobicContact CB-CE1 4.46Å; L263-F319 HydrophobicContact CD2-CE1 4.11Å; L263-Y320 HydrophobicContact CD1-CD2 4.03Å; L263-Y320 HydrophobicContact CD1-CE2 4.28Å; L263-M323 HydrophobicContact CD1-CB 3.72Å; L263-M323 HydrophobicContact CD1-CG 4.44Å; L263-M323 HydrophobicContact CD2-CB 3.71Å; L263-M323 HydrophobicContact CD2-CE 3.94Å; L263-M323 HydrophobicContact CD2-CG 3.57Å; L263-M323 HydrophobicContact CD2-SD 3.91Å; L263-M323 HydrophobicContact CG-CB 4.38Å; L263-T324 HydrophobicContact CD1-CG2 4.47Å |
| 264 | R | 85.1 | Confident | 82.5 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 175 | -76.2 | 179.5 | -174.2 | -79.7 | 1.3 | 112 | E260 R261 F267 R268 F316 | E260-R264 WeakPolarHBondContact O-CG 3.23Å; E260-R264 PolarHBondContact O-N 3.41Å; E260-R264 IonicContact OE1-CZ 3.29Å; E260-R264 VanDerWaalsContact OE1-CZ 3.29Å; E260-R264 IonicContact OE1-NE 2.91Å; E260-R264 PolarHBondContact OE1-NE 2.98Å; E260-R264 IonicContact OE1-NH2 2.76Å; E260-R264 PolarHBondContact OE1-NH2 3.43Å; R261-R264 PolarHBondContact O-N 3.35Å; R264-F267 PolarHBondContact O-N 3.08Å; R264-R268 VanDerWaalsContact O-CG 3.31Å; R264-R268 WeakPolarHBondContact O-CG 3.49Å; R264-R268 PolarHBondContact O-N 3.11Å; R264-F316 HydrophobicContact CB-CE2 4.2Å; R264-F316 HydrophobicContact CG-CD2 4.36Å; R264-F316 HydrophobicContact CG-CE1 4.28Å; R264-F316 HydrophobicContact CG-CE2 3.39Å; R264-F316 HydrophobicContact CG-CZ 3.34Å |
| 265 | D | 81 | Confident | 82.4 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 178.3 | -76.3 | -17.4 | 0 | 0 | 0 | 111.4 | R261 D262 R268 V269 | R261-D265 PolarHBondContact O-N 3.28Å; D262-D265 PolarHBondContact O-N 3.13Å; D265-R268 PolarHBondContact O-N 2.7Å; D265-R268 IonicContact OD1-CZ 2.96Å; D265-R268 IonicContact OD1-NH1 2.95Å; D265-R268 PolarHBondContact OD1-NH1 3.46Å; D265-V269 WeakPolarHBondContact O-CG2 3.43Å; D265-V269 PolarHBondContact O-N 3.18Å; D265-V269 VanDerWaalsContact O-N 3.14Å |
| 266 | A | 79.2 | Confident | 82.6 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M173 D262 L263 R268 V269 L270 | M173-A266 HydrophobicContact CB-CB 4.18Å; M173-A266 HydrophobicContact CE-CB 4.18Å; D262-A266 VanDerWaalsContact O-CB 3.31Å; D262-A266 WeakPolarHBondContact O-CB 3.42Å; D262-A266 PolarHBondContact O-N 2.96Å; L263-A266 PolarHBondContact O-N 2.95Å; A266-R268 VanDerWaalsContact C-N 3.31Å; A266-R268 PolarHBondContact O-N 2.69Å; A266-V269 WeakPolarHBondContact O-CB 3.23Å; A266-V269 PolarHBondContact O-N 2.76Å; A266-L270 WeakPolarHBondContact O-CG 3.48Å; A266-L270 PolarHBondContact O-N 3.25Å; A266-L270 VanDerWaalsContact O-N 3.13Å |
| 267 | F | 83.3 | Confident | 82.9 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.2 | -43.6 | 177.6 | -172.1 | -87.5 | 0 | 0 | 0 | 112.1 | L263 R264 V269 L270 D271 G276 I278 F316 F319 | L263-F267 WeakPolarHBondContact O-CB 3.44Å; L263-F267 PolarHBondContact O-N 3.31Å; R264-F267 PolarHBondContact O-N 3.08Å; F267-V269 VanDerWaalsContact C-N 3.28Å; F267-V269 PolarHBondContact O-N 3.3Å; F267-L270 PolarHBondContact O-N 3.01Å; F267-L270 VanDerWaalsContact O-N 3.1Å; F267-D271 HydrophobicContact CD1-CB 4.48Å; F267-D271 HydrophobicContact CE1-CB 4.23Å; F267-D271 PolarHBondContact O-N 3.21Å; F267-G276 VanDerWaalsContact CZ-O 3.31Å; F267-G276 WeakPolarHBondContact CZ-O 3.45Å; F267-I278 HydrophobicContact CD2-CD1 3.29Å; F267-I278 HydrophobicContact CD2-CG1 3.96Å; F267-I278 HydrophobicContact CE2-CD1 3.36Å; F267-I278 HydrophobicContact CE2-CG1 3.61Å; F267-I278 HydrophobicContact CG-CD1 4.06Å; F267-I278 HydrophobicContact CZ-CD1 4.17Å; F267-I278 HydrophobicContact CZ-CG1 3.92Å; F267-F316 HydrophobicContact CB-CD2 4.1Å; F267-F316 HydrophobicContact CB-CE2 4.44Å; F267-F316 HydrophobicContact CD1-CD2 4.32Å; F267-F316 HydrophobicContact CD2-CB 4.5Å; F267-F316 HydrophobicContact CD2-CD2 4.04Å; F267-F316 HydrophobicContact CE1-CB 4.46Å; F267-F316 HydrophobicContact CE2-CB 4.24Å; F267-F316 AromaticContact CG-CD2 3.89Å; F267-F316 HydrophobicContact CG-CD2 3.89Å; F267-F316 HydrophobicContact CZ-CB 4.22Å; F267-F319 HydrophobicContact CB-CD1 4.27Å; F267-F319 HydrophobicContact CB-CE1 4.22Å; F267-F319 HydrophobicContact CD2-CB 3.84Å; F267-F319 AromaticContact CD2-CD1 3.81Å; F267-F319 HydrophobicContact CD2-CD1 3.81Å; F267-F319 HydrophobicContact CD2-CD2 4.4Å; F267-F319 HydrophobicContact CD2-CE1 4.42Å; F267-F319 AromaticContact CD2-CG 3.77Å; F267-F319 HydrophobicContact CD2-CG 3.77Å; F267-F319 HydrophobicContact CE2-CB 4Å; F267-F319 HydrophobicContact CE2-CG 4.38Å |
| 268 | R | 83.8 | Confident | 83 | Confident | 174 Ų | 174 | 72.7 Ų | 72.7 | 66% | 0.657 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.3 | -30.1 | 176.7 | -74.8 | 168.8 | 175 | 169.8 | -2.8 | 114 | R264 D265 A266 | R264-R268 VanDerWaalsContact O-CG 3.31Å; R264-R268 WeakPolarHBondContact O-CG 3.49Å; R264-R268 PolarHBondContact O-N 3.11Å; D265-R268 PolarHBondContact O-N 2.7Å; D265-R268 IonicContact OD1-CZ 2.96Å; D265-R268 IonicContact OD1-NH1 2.95Å; D265-R268 PolarHBondContact OD1-NH1 3.46Å; A266-R268 VanDerWaalsContact C-N 3.31Å; A266-R268 PolarHBondContact O-N 2.69Å |
| 269 | V | 80.9 | Confident | 83.4 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -73.6 | -33.4 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | D265 A266 F267 | D265-V269 WeakPolarHBondContact O-CG2 3.43Å; D265-V269 PolarHBondContact O-N 3.18Å; D265-V269 VanDerWaalsContact O-N 3.14Å; A266-V269 WeakPolarHBondContact O-CB 3.23Å; A266-V269 PolarHBondContact O-N 2.76Å; F267-V269 VanDerWaalsContact C-N 3.28Å; F267-V269 PolarHBondContact O-N 3.3Å |
| 270 | L | 79.7 | Confident | 83.7 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -79.6 | -38.3 | 179.8 | -59.7 | -166.7 | 0 | 0 | 0 | 113.1 | M173 A266 F267 K272 I278 I286 F319 | M173-L270 HydrophobicContact CE-CD1 3.9Å; M173-L270 HydrophobicContact SD-CD1 3.68Å; M173-L270 HydrophobicContact SD-CD2 3.71Å; M173-L270 HydrophobicContact SD-CG 4Å; A266-L270 WeakPolarHBondContact O-CG 3.48Å; A266-L270 PolarHBondContact O-N 3.25Å; A266-L270 VanDerWaalsContact O-N 3.13Å; F267-L270 PolarHBondContact O-N 3.01Å; F267-L270 VanDerWaalsContact O-N 3.1Å; L270-K272 PolarHBondContact O-N 3.43Å; L270-I278 HydrophobicContact CB-CD1 3.61Å; L270-I278 HydrophobicContact CB-CG1 3.83Å; L270-I278 HydrophobicContact CB-CG2 4.23Å; L270-I278 HydrophobicContact CD1-CD1 3.75Å; L270-I278 HydrophobicContact CG-CD1 4.27Å; L270-I286 HydrophobicContact CD1-CD1 3.71Å; L270-I286 HydrophobicContact CD2-CD1 3.25Å; L270-I286 HydrophobicContact CD2-CG1 4.22Å; L270-I286 HydrophobicContact CG-CD1 3.95Å; L270-F319 HydrophobicContact CD1-CE2 4.09Å; L270-F319 HydrophobicContact CD1-CZ 4.43Å |
| 271 | D | 85.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | trans | -74.5 | 74.2 | 175.1 | -178.1 | 10.4 | 0 | 0 | 0 | 110.9 | F267 N273 K274 R275 G276 I278 | F267-D271 HydrophobicContact CD1-CB 4.48Å; F267-D271 HydrophobicContact CE1-CB 4.23Å; F267-D271 PolarHBondContact O-N 3.21Å; D271-N273 PolarHBondContact O-N 2.88Å; D271-N273 VanDerWaalsContact O-N 3.11Å; D271-N273 PolarHBondContact OD1-N 3.37Å; D271-K274 VanDerWaalsContact CG-CA 3.46Å; D271-K274 PolarHBondContact O-N 3.06Å; D271-K274 VanDerWaalsContact O-N 3.09Å; D271-K274 WeakPolarHBondContact OD1-CA 3.49Å; D271-K274 PolarHBondContact OD1-N 2.84Å; D271-K274 WeakPolarHBondContact OD2-CA 3.39Å; D271-R275 PolarHBondContact OD1-N 3.47Å; D271-R275 PolarHBondContact OD2-N 3.09Å; D271-G276 WeakPolarHBondContact OD2-CA 3.44Å; D271-G276 PolarHBondContact OD2-N 3.28Å; D271-I278 HydrophobicContact CB-CG1 4.48Å | ||
| 272 | K | 80.3 | Confident | 83.8 | Confident | 139 Ų | 139 | 68.8 Ų | 68.8 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -30.9 | 178.1 | -67 | 170.5 | -173.2 | 161.8 | 0 | 112.2 | L270 D282 | L270-K272 PolarHBondContact O-N 3.43Å; K272-D282 IonicContact NZ-OD1 3.2Å; K272-D282 PolarHBondContact NZ-OD1 3.33Å; K272-D282 IonicContact NZ-OD2 3.76Å |
| 273 | N | 84.5 | Confident | 83.9 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -6.5 | -174.5 | -62 | -49.5 | 0 | 0 | 0 | 113.1 | D271 R275 | D271-N273 PolarHBondContact O-N 2.88Å; D271-N273 VanDerWaalsContact O-N 3.11Å; D271-N273 PolarHBondContact OD1-N 3.37Å; N273-R275 HydrophobicContact CB-CG 3.94Å; N273-R275 VanDerWaalsContact CG-NH1 3.35Å; N273-R275 PolarHBondContact ND2-NH1 3.4Å; N273-R275 PolarHBondContact ND2-NH2 2.98Å; N273-R275 PolarHBondContact O-N 3.5Å |
| 274 | K | 84.2 | Confident | 83.9 | Confident | 184 Ų | 184 | 68.5 Ų | 68.5 | 80% | 0.8 | 33% | 0.325 | S | S | * | . | trans | 53.7 | 37.6 | -176.8 | -57.8 | -178.1 | -179 | 179.9 | 0 | 112.9 | D271 | D271-K274 VanDerWaalsContact CG-CA 3.46Å; D271-K274 PolarHBondContact O-N 3.06Å; D271-K274 VanDerWaalsContact O-N 3.09Å; D271-K274 WeakPolarHBondContact OD1-CA 3.49Å; D271-K274 PolarHBondContact OD1-N 2.84Å; D271-K274 WeakPolarHBondContact OD2-CA 3.39Å | ||
| 275 | R | 84.5 | Confident | 83.7 | Confident | 123 Ų | 123 | 72.8 Ų | 72.8 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -83 | -15.4 | 178.8 | -68.9 | -168.3 | -63.2 | -107.4 | 0.1 | 113.1 | D271 N273 | D271-R275 PolarHBondContact OD1-N 3.47Å; D271-R275 PolarHBondContact OD2-N 3.09Å; N273-R275 HydrophobicContact CB-CG 3.94Å; N273-R275 VanDerWaalsContact CG-NH1 3.35Å; N273-R275 PolarHBondContact ND2-NH1 3.4Å; N273-R275 PolarHBondContact ND2-NH2 2.98Å; N273-R275 PolarHBondContact O-N 3.5Å |
| 276 | G | 86.8 | Confident | 83.6 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 88.3 | 10.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F267 D271 | F267-G276 VanDerWaalsContact CZ-O 3.31Å; F267-G276 WeakPolarHBondContact CZ-O 3.45Å; D271-G276 WeakPolarHBondContact OD2-CA 3.44Å; D271-G276 PolarHBondContact OD2-N 3.28Å |
| 277 | E | 89.9 | Confident | 83.3 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.1 | -171.5 | -75.6 | 168.6 | -161.3 | 0 | 0 | 109.6 | F313 V314 | E277-F313 HydrophobicContact CB-CB 4.11Å; E277-F313 HydrophobicContact CG-CB 4.35Å; E277-V314 WeakPolarHBondContact CA-O 3.43Å |
| 278 | I | 86.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.9 | 175.5 | -61 | 165.5 | 0 | 0 | 0 | 108.7 | F267 L270 D271 V280 D282 L283 F313 V314 F319 | F267-I278 HydrophobicContact CD2-CD1 3.29Å; F267-I278 HydrophobicContact CD2-CG1 3.96Å; F267-I278 HydrophobicContact CE2-CD1 3.36Å; F267-I278 HydrophobicContact CE2-CG1 3.61Å; F267-I278 HydrophobicContact CG-CD1 4.06Å; F267-I278 HydrophobicContact CZ-CD1 4.17Å; F267-I278 HydrophobicContact CZ-CG1 3.92Å; L270-I278 HydrophobicContact CB-CD1 3.61Å; L270-I278 HydrophobicContact CB-CG1 3.83Å; L270-I278 HydrophobicContact CB-CG2 4.23Å; L270-I278 HydrophobicContact CD1-CD1 3.75Å; L270-I278 HydrophobicContact CG-CD1 4.27Å; D271-I278 HydrophobicContact CB-CG1 4.48Å; I278-V280 PolarHBondContact O-N 2.82Å; I278-D282 HydrophobicContact CG2-CB 4.31Å; I278-L283 HydrophobicContact CG2-CB 4.33Å; I278-F313 CarbonylContact O-C 3.56Å; I278-F313 WeakPolarHBondContact O-CA 3.48Å; I278-V314 HydrophobicContact CB-CB 4.46Å; I278-V314 PolarHBondContact N-O 3.43Å; I278-V314 PolarHBondContact O-N 3.48Å; I278-F319 HydrophobicContact CD1-CD2 4.05Å; I278-F319 HydrophobicContact CD1-CE2 4.3Å |
| 279 | D | 87.8 | Confident | 82.4 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 132.5 | 173.1 | -166.5 | -34.4 | 0 | 0 | 0 | 109.9 | E281 D282 L283 | D279-E281 PolarHBondContact O-N 3.38Å; D279-E281 VanDerWaalsContact O-N 3.15Å; D279-E281 PolarHBondContact OD1-N 3.44Å; D279-D282 HydrophobicContact CB-CB 4.21Å; D279-D282 WeakPolarHBondContact O-CA 3.09Å; D279-D282 WeakPolarHBondContact O-CB 3.13Å; D279-D282 PolarHBondContact O-N 2.99Å; D279-L283 PolarHBondContact O-N 2.97Å |
| 280 | V | 86.3 | Confident | 81.7 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.7 | -34 | 176.1 | 160.8 | 0 | 0 | 0 | 0 | 111.9 | I278 L283 R284 I303 G312 V314 | I278-V280 PolarHBondContact O-N 2.82Å; V280-L283 PolarHBondContact O-N 3.11Å; V280-R284 WeakPolarHBondContact O-CB 3.46Å; V280-R284 PolarHBondContact O-N 2.92Å; V280-I303 HydrophobicContact CB-CG2 4.32Å; V280-I303 HydrophobicContact CG1-CB 4.42Å; V280-I303 HydrophobicContact CG1-CD1 3.95Å; V280-I303 HydrophobicContact CG1-CG1 4.27Å; V280-I303 HydrophobicContact CG1-CG2 3.33Å; V280-I303 HydrophobicContact CG2-CG2 4Å; V280-G312 WeakPolarHBondContact CB-O 3.44Å; V280-G312 VanDerWaalsContact CG2-C 3.42Å; V280-G312 WeakPolarHBondContact CG2-O 2.93Å; V280-G312 PolarHBondContact N-O 3.21Å; V280-V314 HydrophobicContact CG2-CG2 4.24Å |
| 281 | E | 85 | Confident | 80.8 | Confident | 110 Ų | 110 | 63.5 Ų | 63.5 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 176.6 | -69.7 | -60.6 | 125.1 | 0 | 0 | 112.7 | D279 R284 W285 | D279-E281 PolarHBondContact O-N 3.38Å; D279-E281 VanDerWaalsContact O-N 3.15Å; D279-E281 PolarHBondContact OD1-N 3.44Å; E281-R284 IonicContact OE1-NE 2.62Å; E281-R284 PolarHBondContact OE1-NE 3.47Å; E281-R284 IonicContact OE2-NE 2.67Å; E281-W285 WeakPolarHBondContact O-CB 3.48Å; E281-W285 PolarHBondContact O-N 2.95Å |
| 282 | D | 82.8 | Confident | 79.6 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 172.6 | -82.8 | -35.8 | 0 | 0 | 0 | 110.4 | K272 I278 D279 W285 I286 | K272-D282 IonicContact NZ-OD1 3.2Å; K272-D282 PolarHBondContact NZ-OD1 3.33Å; K272-D282 IonicContact NZ-OD2 3.76Å; I278-D282 HydrophobicContact CG2-CB 4.31Å; D279-D282 HydrophobicContact CB-CB 4.21Å; D279-D282 WeakPolarHBondContact O-CA 3.09Å; D279-D282 WeakPolarHBondContact O-CB 3.13Å; D279-D282 PolarHBondContact O-N 2.99Å; D282-W285 WeakPolarHBondContact O-CB 3.37Å; D282-W285 PolarHBondContact O-N 3.13Å; D282-I286 WeakPolarHBondContact O-CD1 3.33Å; D282-I286 VanDerWaalsContact O-CG1 3.26Å; D282-I286 WeakPolarHBondContact O-CG1 3.11Å; D282-I286 PolarHBondContact O-N 2.95Å; D282-I286 VanDerWaalsContact O-N 3.11Å |
| 283 | L | 82.3 | Confident | 79 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.7 | -175.8 | 60.9 | 0 | 0 | 0 | 111.3 | I278 D279 V280 W285 I286 L287 V314 | I278-L283 HydrophobicContact CG2-CB 4.33Å; D279-L283 PolarHBondContact O-N 2.97Å; V280-L283 PolarHBondContact O-N 3.11Å; L283-W285 VanDerWaalsContact C-N 3.33Å; L283-W285 PolarHBondContact O-N 3.36Å; L283-I286 PolarHBondContact O-N 3.48Å; L283-L287 HydrophobicContact CD1-CG 4.44Å; L283-L287 HydrophobicContact CG-CD1 4.08Å; L283-L287 HydrophobicContact CG-CG 4.43Å; L283-L287 VanDerWaalsContact O-CG 3.31Å; L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 2.77Å; L283-V314 HydrophobicContact CD2-CG2 3.95Å |
| 284 | R | 83.2 | Confident | 78.4 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 18% | 0.177 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.9 | -47.2 | 174.4 | 179.6 | -170.3 | -71.6 | -77.3 | 2 | 111.4 | V280 E281 I286 L287 K288 I299 D300 I303 | V280-R284 WeakPolarHBondContact O-CB 3.46Å; V280-R284 PolarHBondContact O-N 2.92Å; E281-R284 IonicContact OE1-NE 2.62Å; E281-R284 PolarHBondContact OE1-NE 3.47Å; E281-R284 IonicContact OE2-NE 2.67Å; R284-I286 VanDerWaalsContact C-N 3.3Å; R284-I286 PolarHBondContact O-N 3.35Å; R284-L287 PolarHBondContact O-N 3.3Å; R284-K288 HydrophobicContact CG-CD 4.46Å; R284-K288 WeakPolarHBondContact O-CG 3.37Å; R284-K288 PolarHBondContact O-N 3.44Å; R284-I299 HydrophobicContact CB-CG2 4.39Å; R284-I299 HydrophobicContact CG-CG2 3.96Å; R284-D300 IonicContact CZ-OD1 3.79Å; R284-D300 IonicContact NH1-OD1 3.77Å; R284-D300 PolarHBondContact NH1-OD1 2.74Å; R284-D300 IonicContact NH2-OD1 2.68Å; R284-D300 PolarHBondContact NH2-OD1 2.73Å; R284-I303 HydrophobicContact CB-CD1 3.89Å; R284-I303 HydrophobicContact CG-CD1 4.4Å |
| 285 | W | 81.2 | Confident | 78.3 | Confident | 195 Ų | 195 | 62.7 Ų | 62.7 | 74% | 0.739 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 179.5 | 176.7 | -100.2 | 0 | 0 | 0 | 112 | E281 D282 L283 G289 | E281-W285 WeakPolarHBondContact O-CB 3.48Å; E281-W285 PolarHBondContact O-N 2.95Å; D282-W285 WeakPolarHBondContact O-CB 3.37Å; D282-W285 PolarHBondContact O-N 3.13Å; L283-W285 VanDerWaalsContact C-N 3.33Å; L283-W285 PolarHBondContact O-N 3.36Å; W285-G289 PolarHBondContact O-N 3.32Å |
| 286 | I | 77 | Confident | 78.3 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 16% | 0.164 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 178 | -64.6 | 151.9 | 0 | 0 | 0 | 110.6 | L169 M173 L270 D282 L283 R284 K288 G289 L290 | L169-I286 HydrophobicContact CD1-CG2 3.59Å; M173-I286 HydrophobicContact SD-CG2 3.91Å; L270-I286 HydrophobicContact CD1-CD1 3.71Å; L270-I286 HydrophobicContact CD2-CD1 3.25Å; L270-I286 HydrophobicContact CD2-CG1 4.22Å; L270-I286 HydrophobicContact CG-CD1 3.95Å; D282-I286 WeakPolarHBondContact O-CD1 3.33Å; D282-I286 VanDerWaalsContact O-CG1 3.26Å; D282-I286 WeakPolarHBondContact O-CG1 3.11Å; D282-I286 PolarHBondContact O-N 2.95Å; D282-I286 VanDerWaalsContact O-N 3.11Å; L283-I286 PolarHBondContact O-N 3.48Å; R284-I286 VanDerWaalsContact C-N 3.3Å; R284-I286 PolarHBondContact O-N 3.35Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 3.28Å; I286-G289 PolarHBondContact O-N 2.97Å; I286-L290 HydrophobicContact CG2-CD1 3.46Å; I286-L290 VanDerWaalsContact CG2-CD1 3.46Å; I286-L290 HydrophobicContact CG2-CG 4.3Å; I286-L290 WeakPolarHBondContact O-CB 3.38Å; I286-L290 VanDerWaalsContact O-CD1 3.26Å; I286-L290 WeakPolarHBondContact O-CD1 3.33Å; I286-L290 WeakPolarHBondContact O-CG 3.42Å; I286-L290 PolarHBondContact O-N 2.97Å |
| 287 | L | 74.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 177.4 | -70.4 | 173.8 | 0 | 0 | 0 | 111.7 | L283 R284 G289 L290 G291 I299 M302 I303 | L283-L287 HydrophobicContact CD1-CG 4.44Å; L283-L287 HydrophobicContact CG-CD1 4.08Å; L283-L287 HydrophobicContact CG-CG 4.43Å; L283-L287 VanDerWaalsContact O-CG 3.31Å; L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 2.77Å; R284-L287 PolarHBondContact O-N 3.3Å; L287-G289 VanDerWaalsContact C-N 3.31Å; L287-G289 PolarHBondContact O-N 3.39Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-G291 PolarHBondContact O-N 2.92Å; L287-I299 HydrophobicContact CB-CD1 4.28Å; L287-I299 HydrophobicContact CB-CG1 4.26Å; L287-I299 HydrophobicContact CB-CG2 4.2Å; L287-I299 HydrophobicContact CD1-CG2 3.93Å; L287-M302 HydrophobicContact CD1-CE 4.02Å; L287-M302 HydrophobicContact CD2-CE 3.6Å; L287-M302 HydrophobicContact CG-CE 4.47Å; L287-I303 HydrophobicContact CD1-CG1 4.45Å |
| 288 | K | 77.6 | Confident | 77.7 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 173.2 | -75.4 | -172.9 | 170.7 | -172.8 | 0 | 112.8 | R284 I286 L290 E296 I299 | R284-K288 HydrophobicContact CG-CD 4.46Å; R284-K288 WeakPolarHBondContact O-CG 3.37Å; R284-K288 PolarHBondContact O-N 3.44Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 3.28Å; K288-L290 VanDerWaalsContact C-N 3.31Å; K288-E296 IonicContact NZ-OE1 3.75Å; K288-E296 PolarHBondContact NZ-OE1 3.48Å; K288-I299 HydrophobicContact CB-CD1 4.42Å; K288-I299 HydrophobicContact CG-CD1 3.47Å; K288-I299 VanDerWaalsContact CG-CD1 3.47Å |
| 289 | G | 70.2 | Confident | 77.5 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 49% | 0.485 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76.7 | -14.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R172 W285 I286 L287 | R172-G289 PolarHBondContact NH1-O 3.41Å; W285-G289 PolarHBondContact O-N 3.32Å; I286-G289 PolarHBondContact O-N 2.97Å; L287-G289 VanDerWaalsContact C-N 3.31Å; L287-G289 PolarHBondContact O-N 3.39Å |
| 290 | L | 65.2 | Low | 77.4 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -96.7 | -37.4 | -173.7 | -75.6 | 163.6 | 0 | 0 | 0 | 114 | L169 R172 I286 L287 K288 | L169-L290 HydrophobicContact CB-CD1 3.9Å; L169-L290 HydrophobicContact CD1-CD1 3.07Å; L169-L290 HydrophobicContact CD1-CG 4.49Å; L169-L290 HydrophobicContact CG-CD1 4.04Å; R172-L290 HydrophobicContact CB-CD2 3.37Å; R172-L290 HydrophobicContact CG-CD2 3.89Å; R172-L290 PolarHBondContact NH1-O 2.89Å; I286-L290 HydrophobicContact CG2-CD1 3.46Å; I286-L290 VanDerWaalsContact CG2-CD1 3.46Å; I286-L290 HydrophobicContact CG2-CG 4.3Å; I286-L290 WeakPolarHBondContact O-CB 3.38Å; I286-L290 VanDerWaalsContact O-CD1 3.26Å; I286-L290 WeakPolarHBondContact O-CD1 3.33Å; I286-L290 WeakPolarHBondContact O-CG 3.42Å; I286-L290 PolarHBondContact O-N 2.97Å; L287-L290 PolarHBondContact O-N 3.44Å; K288-L290 VanDerWaalsContact C-N 3.31Å |
| 291 | G | 61.5 | Low | 77.2 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 19% | 0.186 | 35% | 0.347 | C | S | . | . | trans | -119.3 | 111.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L287 D293 L294 | L287-G291 PolarHBondContact O-N 2.92Å; G291-D293 PolarHBondContact O-N 3.01Å; G291-L294 PolarHBondContact O-N 3.16Å | ||
| 292 | D | 60.2 | Low | 76.9 | Confident | 167 Ų | 167 | 63.8 Ų | 63.8 | 89% | 0.893 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.1 | 164 | -69.7 | -27.8 | 0 | 0 | 0 | 111.3 | ||
| 293 | D | 67.4 | Low | 76.9 | Confident | 149 Ų | 149 | 62.9 Ų | 62.9 | 80% | 0.797 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -3.7 | -174.3 | -62.5 | -40.7 | 0 | 0 | 0 | 114.3 | G291 | G291-D293 PolarHBondContact O-N 3.01Š|
| 294 | L | 71.7 | Confident | 77 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | trans | -88.5 | 122.7 | 178.3 | -66.9 | 178.4 | 0 | 0 | 0 | 110.6 | L161 G291 I299 M302 | L161-L294 HydrophobicContact CD2-CD2 4.43Å; G291-L294 PolarHBondContact O-N 3.16Å; L294-I299 HydrophobicContact CB-CD1 4.23Å; L294-I299 HydrophobicContact CB-CG1 4.03Å; L294-I299 HydrophobicContact CD1-CG1 4.45Å; L294-M302 HydrophobicContact CD1-SD 4.34Å | ||
| 295 | T | 82.1 | Confident | 77 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | trans | -71.8 | 158.2 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | E297 E298 I299 | T295-E297 WeakPolarHBondContact CB-OE2 3.41Å; T295-E297 PolarHBondContact O-N 2.87Å; T295-E298 PolarHBondContact N-OE2 3.42Å; T295-E298 PolarHBondContact O-N 2.98Å; T295-E298 WeakPolarHBondContact OG1-CB 3.43Å; T295-E298 WeakPolarHBondContact OG1-CG 3.3Å; T295-E298 PolarHBondContact OG1-N 2.89Å; T295-E298 PolarHBondContact OG1-OE2 3.46Å; T295-I299 WeakPolarHBondContact O-CG1 3.28Å; T295-I299 PolarHBondContact O-N 3.15Å; T295-I299 VanDerWaalsContact O-N 3.1Å | ||
| 296 | E | 84 | Confident | 77 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 177.5 | -64.8 | -166.4 | 149.3 | 0 | 0 | 111.2 | K288 I299 D300 | K288-E296 IonicContact NZ-OE1 3.75Å; K288-E296 PolarHBondContact NZ-OE1 3.48Å; E296-I299 PolarHBondContact O-N 3.42Å; E296-D300 VanDerWaalsContact O-CG 3.3Å; E296-D300 PolarHBondContact O-N 3Å |
| 297 | E | 84.3 | Confident | 77.5 | Confident | 129 Ų | 129 | 61.4 Ų | 61.4 | 60% | 0.603 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.1 | -40.3 | 176 | -60.9 | 87.9 | 172 | 0 | 0 | 112.3 | T295 I299 D300 D301 | T295-E297 WeakPolarHBondContact CB-OE2 3.41Å; T295-E297 PolarHBondContact O-N 2.87Å; E297-I299 VanDerWaalsContact C-N 3.34Å; E297-D300 PolarHBondContact O-N 3.1Å; E297-D301 WeakPolarHBondContact O-CB 3.38Å; E297-D301 PolarHBondContact O-N 3.33Å |
| 298 | E | 81 | Confident | 77.8 | Confident | 59 Ų | 59 | 66 Ų | 66 | 28% | 0.276 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 176.2 | -75.8 | 165.8 | 143.5 | 0 | 0 | 111.9 | T295 D301 M302 | T295-E298 PolarHBondContact N-OE2 3.42Å; T295-E298 PolarHBondContact O-N 2.98Å; T295-E298 WeakPolarHBondContact OG1-CB 3.43Å; T295-E298 WeakPolarHBondContact OG1-CG 3.3Å; T295-E298 PolarHBondContact OG1-N 2.89Å; T295-E298 PolarHBondContact OG1-OE2 3.46Å; E298-D301 PolarHBondContact O-N 3.07Å; E298-M302 WeakPolarHBondContact O-CB 3.27Å; E298-M302 VanDerWaalsContact O-CG 3.23Å; E298-M302 WeakPolarHBondContact O-CG 3.37Å; E298-M302 PolarHBondContact O-N 3.1Å |
| 299 | I | 81.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.3 | -65.5 | 172.6 | 0 | 0 | 0 | 110.4 | R284 L287 K288 L294 T295 E296 E297 M302 I303 | R284-I299 HydrophobicContact CB-CG2 4.39Å; R284-I299 HydrophobicContact CG-CG2 3.96Å; L287-I299 HydrophobicContact CB-CD1 4.28Å; L287-I299 HydrophobicContact CB-CG1 4.26Å; L287-I299 HydrophobicContact CB-CG2 4.2Å; L287-I299 HydrophobicContact CD1-CG2 3.93Å; K288-I299 HydrophobicContact CB-CD1 4.42Å; K288-I299 HydrophobicContact CG-CD1 3.47Å; K288-I299 VanDerWaalsContact CG-CD1 3.47Å; L294-I299 HydrophobicContact CB-CD1 4.23Å; L294-I299 HydrophobicContact CB-CG1 4.03Å; L294-I299 HydrophobicContact CD1-CG1 4.45Å; T295-I299 WeakPolarHBondContact O-CG1 3.28Å; T295-I299 PolarHBondContact O-N 3.15Å; T295-I299 VanDerWaalsContact O-N 3.1Å; E296-I299 PolarHBondContact O-N 3.42Å; E297-I299 VanDerWaalsContact C-N 3.34Å; I299-M302 PolarHBondContact O-N 2.84Å; I299-I303 HydrophobicContact CG2-CD1 3.68Å; I299-I303 HydrophobicContact CG2-CG1 4.39Å; I299-I303 WeakPolarHBondContact O-CB 3.43Å; I299-I303 WeakPolarHBondContact O-CD1 3.5Å; I299-I303 VanDerWaalsContact O-CG1 3.26Å; I299-I303 WeakPolarHBondContact O-CG1 3.45Å; I299-I303 PolarHBondContact O-N 3.47Å |
| 300 | D | 84.9 | Confident | 79 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 176 | -72.7 | -6.8 | 0 | 0 | 0 | 111.9 | R284 E296 E297 M302 I303 R304 | R284-D300 IonicContact CZ-OD1 3.79Å; R284-D300 IonicContact NH1-OD1 3.77Å; R284-D300 PolarHBondContact NH1-OD1 2.74Å; R284-D300 IonicContact NH2-OD1 2.68Å; R284-D300 PolarHBondContact NH2-OD1 2.73Å; E296-D300 VanDerWaalsContact O-CG 3.3Å; E296-D300 PolarHBondContact O-N 3Å; E297-D300 PolarHBondContact O-N 3.1Å; D300-M302 VanDerWaalsContact C-N 3.32Å; D300-M302 PolarHBondContact O-N 3.44Å; D300-I303 PolarHBondContact O-N 3.19Å; D300-R304 WeakPolarHBondContact O-CB 3.48Å; D300-R304 PolarHBondContact O-N 2.92Å |
| 301 | D | 83.7 | Confident | 80.2 | Confident | 55 Ų | 55 | 69.2 Ų | 69.2 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.3 | -78.4 | -15.5 | 0 | 0 | 0 | 111.2 | E297 E298 R304 D305 | E297-D301 WeakPolarHBondContact O-CB 3.38Å; E297-D301 PolarHBondContact O-N 3.33Å; E298-D301 PolarHBondContact O-N 3.07Å; D301-R304 PolarHBondContact O-N 2.89Å; D301-R304 IonicContact OD1-CZ 3.06Å; D301-R304 IonicContact OD1-NH1 3.88Å; D301-R304 PolarHBondContact OD1-NH1 3.11Å; D301-R304 IonicContact OD1-NH2 2.66Å; D301-R304 PolarHBondContact OD1-NH2 3.36Å; D301-D305 WeakPolarHBondContact O-CB 3.38Å; D301-D305 PolarHBondContact O-N 3.01Å |
| 302 | M | 78 | Confident | 81.4 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.2 | -76.8 | 177.8 | 52 | 0 | 0 | 113 | W165 L287 L294 E298 I299 D300 R304 D305 T306 | W165-M302 HydrophobicContact CB-CE 4.43Å; W165-M302 VanDerWaalsContact CD1-SD 3.54Å; W165-M302 HydrophobicContact CD2-CE 3.51Å; W165-M302 HydrophobicContact CE3-CE 4.14Å; W165-M302 HydrophobicContact CG-CE 3.59Å; W165-M302 HydrophobicContact CG-SD 4.25Å; W165-M302 HydrophobicContact CZ2-CE 4.36Å; L287-M302 HydrophobicContact CD1-CE 4.02Å; L287-M302 HydrophobicContact CD2-CE 3.6Å; L287-M302 HydrophobicContact CG-CE 4.47Å; L294-M302 HydrophobicContact CD1-SD 4.34Å; E298-M302 WeakPolarHBondContact O-CB 3.27Å; E298-M302 VanDerWaalsContact O-CG 3.23Å; E298-M302 WeakPolarHBondContact O-CG 3.37Å; E298-M302 PolarHBondContact O-N 3.1Å; I299-M302 PolarHBondContact O-N 2.84Å; D300-M302 VanDerWaalsContact C-N 3.32Å; D300-M302 PolarHBondContact O-N 3.44Å; M302-R304 VanDerWaalsContact C-N 3.35Å; M302-D305 PolarHBondContact O-N 3.15Å; M302-T306 WeakPolarHBondContact O-CB 3.29Å; M302-T306 PolarHBondContact O-N 2.92Å; M302-T306 PolarHBondContact O-OG1 2.92Å |
| 303 | I | 83.2 | Confident | 82.8 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.6 | -75.1 | 164.2 | 0 | 0 | 0 | 109.4 | V280 R284 L287 I299 D300 D305 T306 D307 | V280-I303 HydrophobicContact CB-CG2 4.32Å; V280-I303 HydrophobicContact CG1-CB 4.42Å; V280-I303 HydrophobicContact CG1-CD1 3.95Å; V280-I303 HydrophobicContact CG1-CG1 4.27Å; V280-I303 HydrophobicContact CG1-CG2 3.33Å; V280-I303 HydrophobicContact CG2-CG2 4Å; R284-I303 HydrophobicContact CB-CD1 3.89Å; R284-I303 HydrophobicContact CG-CD1 4.4Å; L287-I303 HydrophobicContact CD1-CG1 4.45Å; I299-I303 HydrophobicContact CG2-CD1 3.68Å; I299-I303 HydrophobicContact CG2-CG1 4.39Å; I299-I303 WeakPolarHBondContact O-CB 3.43Å; I299-I303 WeakPolarHBondContact O-CD1 3.5Å; I299-I303 VanDerWaalsContact O-CG1 3.26Å; I299-I303 WeakPolarHBondContact O-CG1 3.45Å; I299-I303 PolarHBondContact O-N 3.47Å; D300-I303 PolarHBondContact O-N 3.19Å; I303-D305 VanDerWaalsContact C-N 3.26Å; I303-D305 PolarHBondContact O-N 3.48Å; I303-T306 WeakPolarHBondContact O-CB 3.33Å; I303-T306 PolarHBondContact O-N 3.34Å; I303-D307 WeakPolarHBondContact O-CB 3.43Å; I303-D307 PolarHBondContact O-N 2.84Å |
| 304 | R | 84.7 | Confident | 83.7 | Confident | 153 Ų | 153 | 58 Ų | 58 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.2 | -33 | 179 | -172.5 | -179.6 | 67.3 | -131.7 | -6.6 | 112.9 | D300 D301 M302 T306 | D300-R304 WeakPolarHBondContact O-CB 3.48Å; D300-R304 PolarHBondContact O-N 2.92Å; D301-R304 PolarHBondContact O-N 2.89Å; D301-R304 IonicContact OD1-CZ 3.06Å; D301-R304 IonicContact OD1-NH1 3.88Å; D301-R304 PolarHBondContact OD1-NH1 3.11Å; D301-R304 IonicContact OD1-NH2 2.66Å; D301-R304 PolarHBondContact OD1-NH2 3.36Å; M302-R304 VanDerWaalsContact C-N 3.35Å; R304-T306 VanDerWaalsContact C-N 3.32Å |
| 305 | D | 81.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.4 | -22.6 | 175.5 | -72.8 | -10.3 | 0 | 0 | 0 | 112.7 | R162 D301 M302 I303 | R162-D305 IonicContact CZ-OD2 2.89Å; R162-D305 IonicContact NH2-OD2 3.8Å; R162-D305 PolarHBondContact NH2-OD2 3.4Å; D301-D305 WeakPolarHBondContact O-CB 3.38Å; D301-D305 PolarHBondContact O-N 3.01Å; M302-D305 PolarHBondContact O-N 3.15Å; I303-D305 VanDerWaalsContact C-N 3.26Å; I303-D305 PolarHBondContact O-N 3.48Å |
| 306 | T | 82.5 | Confident | 84.9 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -87.6 | -50.5 | -179.3 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | M302 I303 R304 T308 V314 E318 L322 | M302-T306 WeakPolarHBondContact O-CB 3.29Å; M302-T306 PolarHBondContact O-N 2.92Å; M302-T306 PolarHBondContact O-OG1 2.92Å; I303-T306 WeakPolarHBondContact O-CB 3.33Å; I303-T306 PolarHBondContact O-N 3.34Å; R304-T306 VanDerWaalsContact C-N 3.32Å; T306-T308 VanDerWaalsContact C-N 3.27Å; T306-T308 PolarHBondContact O-N 3.05Å; T306-V314 HydrophobicContact CG2-CB 4.41Å; T306-V314 HydrophobicContact CG2-CG1 3.61Å; T306-V314 HydrophobicContact CG2-CG2 3.85Å; T306-E318 HydrophobicContact CG2-CB 4.44Å; T306-L322 HydrophobicContact CG2-CB 4.03Å; T306-L322 HydrophobicContact CG2-CD2 3.71Å; T306-L322 HydrophobicContact CG2-CG 4.25Å; T306-L322 VanDerWaalsContact OG1-CD1 3.28Å; T306-L322 WeakPolarHBondContact OG1-CD1 3.38Å; T306-L322 WeakPolarHBondContact OG1-CD2 3.43Å |
| 307 | D | 86.5 | Confident | 85.1 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | trans | -78.5 | 77.8 | 178.4 | 179.4 | 10.3 | 0 | 0 | 0 | 108.4 | I303 D309 G310 S311 G312 | I303-D307 WeakPolarHBondContact O-CB 3.43Å; I303-D307 PolarHBondContact O-N 2.84Å; D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 PolarHBondContact O-N 3.48Å; D307-G310 PolarHBondContact O-N 3.41Å; D307-G310 WeakPolarHBondContact OD1-CA 3.37Å; D307-G310 PolarHBondContact OD1-N 3.16Å; D307-S311 PolarHBondContact OD1-N 3.16Å; D307-S311 PolarHBondContact OD2-N 3.34Å; D307-G312 WeakPolarHBondContact OD2-CA 3.22Å; D307-G312 PolarHBondContact OD2-N 3.06Å | ||
| 308 | T | 82.5 | Confident | 85.2 | Confident | 101 Ų | 101 | 51 Ų | 51 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -74.5 | -23.5 | -173.1 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | T306 E318 | T306-T308 VanDerWaalsContact C-N 3.27Å; T306-T308 PolarHBondContact O-N 3.05Å; T308-E318 PolarHBondContact N-OE1 3.45Å; T308-E318 PolarHBondContact OG1-OE1 3.46Å |
| 309 | D | 87.4 | Confident | 85.3 | Confident | 107 Ų | 107 | 48.2 Ų | 48.2 | 57% | 0.572 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -90.9 | -12.6 | 175.8 | 75.2 | -2.9 | 0 | 0 | 0 | 113.4 | D307 S311 | D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 PolarHBondContact O-N 3.48Å; D309-S311 VanDerWaalsContact C-N 3.27Å; D309-S311 WeakPolarHBondContact OD1-CB 3.24Å; D309-S311 PolarHBondContact OD1-N 2.91Å; D309-S311 PolarHBondContact OD1-OG 3.37Å |
| 310 | G | 86 | Confident | 85.4 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 60% | 0.598 | 28% | 0.281 | S | S | * | . | trans | 70.2 | 25.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D307 G312 | D307-G310 PolarHBondContact O-N 3.41Å; D307-G310 WeakPolarHBondContact OD1-CA 3.37Å; D307-G310 PolarHBondContact OD1-N 3.16Å; G310-G312 PolarHBondContact O-N 2.96Å | ||
| 311 | S | 88.7 | Confident | 85.2 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | trans | -72.5 | -18 | -177.9 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | D307 D309 F313 | D307-S311 PolarHBondContact OD1-N 3.16Å; D307-S311 PolarHBondContact OD2-N 3.34Å; D309-S311 VanDerWaalsContact C-N 3.27Å; D309-S311 WeakPolarHBondContact OD1-CB 3.24Å; D309-S311 PolarHBondContact OD1-N 2.91Å; D309-S311 PolarHBondContact OD1-OG 3.37Å; S311-F313 WeakPolarHBondContact O-CD2 3.29Å; S311-F313 PolarHBondContact OG-N 3.22Å; S311-F313 VanDerWaalsContact OG-N 3.16Å; S311-F313 PolarHBondContact OG-O 3.4Å | ||
| 312 | G | 86.9 | Confident | 84.9 | Confident | 28 Ų | 28 | 52 Ų | 52 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 76.8 | 8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113 | V280 D307 G310 | V280-G312 WeakPolarHBondContact CB-O 3.44Å; V280-G312 VanDerWaalsContact CG2-C 3.42Å; V280-G312 WeakPolarHBondContact CG2-O 2.93Å; V280-G312 PolarHBondContact N-O 3.21Å; D307-G312 WeakPolarHBondContact OD2-CA 3.22Å; D307-G312 PolarHBondContact OD2-N 3.06Å; G310-G312 PolarHBondContact O-N 2.96Å |
| 313 | F | 89.3 | Confident | 84.6 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 31% | 0.307 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.6 | 176.7 | -63.3 | -74.3 | 0 | 0 | 0 | 109.2 | E277 I278 S311 | E277-F313 HydrophobicContact CB-CB 4.11Å; E277-F313 HydrophobicContact CG-CB 4.35Å; I278-F313 CarbonylContact O-C 3.56Å; I278-F313 WeakPolarHBondContact O-CA 3.48Å; S311-F313 WeakPolarHBondContact O-CD2 3.29Å; S311-F313 PolarHBondContact OG-N 3.22Å; S311-F313 VanDerWaalsContact OG-N 3.16Å; S311-F313 PolarHBondContact OG-O 3.4Å |
| 314 | V | 87.9 | Confident | 84 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113.2 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | E277 I278 V280 L283 T306 E318 F319 | E277-V314 WeakPolarHBondContact CA-O 3.43Å; I278-V314 HydrophobicContact CB-CB 4.46Å; I278-V314 PolarHBondContact N-O 3.43Å; I278-V314 PolarHBondContact O-N 3.48Å; V280-V314 HydrophobicContact CG2-CG2 4.24Å; L283-V314 HydrophobicContact CD2-CG2 3.95Å; T306-V314 HydrophobicContact CG2-CB 4.41Å; T306-V314 HydrophobicContact CG2-CG1 3.61Å; T306-V314 HydrophobicContact CG2-CG2 3.85Å; V314-E318 HydrophobicContact CG1-CB 3.89Å; V314-F319 HydrophobicContact CG1-CB 3.99Å |
| 315 | D | 90.7 | Very high | 83 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 174 | 175.4 | 77.4 | 30.1 | 0 | 0 | 0 | 111.9 | D317 E318 F319 | D315-D317 VanDerWaalsContact C-N 3.31Å; D315-D317 PolarHBondContact O-N 2.91Å; D315-D317 WeakPolarHBondContact OD1-CA 3.46Å; D315-D317 WeakPolarHBondContact OD1-CB 3.29Å; D315-D317 PolarHBondContact OD1-N 3.33Å; D315-E318 PolarHBondContact N-OE2 2.82Å; D315-E318 PolarHBondContact OD1-N 2.9Å; D315-F319 VanDerWaalsContact O-CB 3.31Å; D315-F319 WeakPolarHBondContact O-CB 3.44Å; D315-F319 PolarHBondContact O-N 3.33Å |
| 316 | F | 88 | Confident | 81.3 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -34 | 180 | 179.7 | -99.3 | 0 | 0 | 0 | 113 | R264 F267 Y320 | R264-F316 HydrophobicContact CB-CE2 4.2Å; R264-F316 HydrophobicContact CG-CD2 4.36Å; R264-F316 HydrophobicContact CG-CE1 4.28Å; R264-F316 HydrophobicContact CG-CE2 3.39Å; R264-F316 HydrophobicContact CG-CZ 3.34Å; F267-F316 HydrophobicContact CB-CD2 4.1Å; F267-F316 HydrophobicContact CB-CE2 4.44Å; F267-F316 HydrophobicContact CD1-CD2 4.32Å; F267-F316 HydrophobicContact CD2-CB 4.5Å; F267-F316 HydrophobicContact CD2-CD2 4.04Å; F267-F316 HydrophobicContact CE1-CB 4.46Å; F267-F316 HydrophobicContact CE2-CB 4.24Å; F267-F316 AromaticContact CG-CD2 3.89Å; F267-F316 HydrophobicContact CG-CD2 3.89Å; F267-F316 HydrophobicContact CZ-CB 4.22Å; F316-Y320 HydrophobicContact CE1-CD2 4.46Å; F316-Y320 HydrophobicContact CZ-CD2 4.26Å; F316-Y320 WeakPolarHBondContact O-CB 3.32Å; F316-Y320 PolarHBondContact O-N 3.13Å |
| 317 | D | 87.7 | Confident | 81.2 | Confident | 102 Ų | 102 | 56.6 Ų | 56.6 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.5 | -37.3 | -177.9 | -73.3 | -19.2 | 0 | 0 | 0 | 110.9 | D315 Y320 K321 | D315-D317 VanDerWaalsContact C-N 3.31Å; D315-D317 PolarHBondContact O-N 2.91Å; D315-D317 WeakPolarHBondContact OD1-CA 3.46Å; D315-D317 WeakPolarHBondContact OD1-CB 3.29Å; D315-D317 PolarHBondContact OD1-N 3.33Å; D317-Y320 PolarHBondContact O-N 3.15Å; D317-K321 WeakPolarHBondContact O-CB 3.44Å; D317-K321 WeakPolarHBondContact O-CG 3.47Å; D317-K321 PolarHBondContact O-N 2.94Å |
| 318 | E | 87.1 | Confident | 80.9 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.033 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 170.8 | -70.5 | -173.8 | 139.6 | 0 | 0 | 111.4 | T306 T308 V314 D315 Y320 K321 L322 | T306-E318 HydrophobicContact CG2-CB 4.44Å; T308-E318 PolarHBondContact N-OE1 3.45Å; T308-E318 PolarHBondContact OG1-OE1 3.46Å; V314-E318 HydrophobicContact CG1-CB 3.89Å; D315-E318 PolarHBondContact N-OE2 2.82Å; D315-E318 PolarHBondContact OD1-N 2.9Å; E318-Y320 VanDerWaalsContact C-N 3.31Å; E318-Y320 PolarHBondContact O-N 2.75Å; E318-K321 PolarHBondContact O-N 2.92Å; E318-L322 VanDerWaalsContact O-CB 3.23Å; E318-L322 WeakPolarHBondContact O-CB 3.45Å; E318-L322 PolarHBondContact O-N 3.49Å |
| 319 | F | 83.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 173.4 | -176.2 | -101.3 | 0 | 0 | 0 | 111.8 | M173 L263 F267 L270 I278 V314 D315 L322 M323 | M173-F319 HydrophobicContact CE-CE2 4.25Å; M173-F319 HydrophobicContact CE-CZ 3.87Å; L263-F319 HydrophobicContact CB-CE1 4.46Å; L263-F319 HydrophobicContact CD2-CE1 4.11Å; F267-F319 HydrophobicContact CB-CD1 4.27Å; F267-F319 HydrophobicContact CB-CE1 4.22Å; F267-F319 HydrophobicContact CD2-CB 3.84Å; F267-F319 AromaticContact CD2-CD1 3.81Å; F267-F319 HydrophobicContact CD2-CD1 3.81Å; F267-F319 HydrophobicContact CD2-CD2 4.4Å; F267-F319 HydrophobicContact CD2-CE1 4.42Å; F267-F319 AromaticContact CD2-CG 3.77Å; F267-F319 HydrophobicContact CD2-CG 3.77Å; F267-F319 HydrophobicContact CE2-CB 4Å; F267-F319 HydrophobicContact CE2-CG 4.38Å; L270-F319 HydrophobicContact CD1-CE2 4.09Å; L270-F319 HydrophobicContact CD1-CZ 4.43Å; I278-F319 HydrophobicContact CD1-CD2 4.05Å; I278-F319 HydrophobicContact CD1-CE2 4.3Å; V314-F319 HydrophobicContact CG1-CB 3.99Å; D315-F319 VanDerWaalsContact O-CB 3.31Å; D315-F319 WeakPolarHBondContact O-CB 3.44Å; D315-F319 PolarHBondContact O-N 3.33Å; F319-L322 WeakPolarHBondContact O-CB 3.41Å; F319-L322 PolarHBondContact O-N 2.97Å; F319-M323 HydrophobicContact CD1-CG 4.27Å; F319-M323 HydrophobicContact CD2-CE 4.49Å; F319-M323 HydrophobicContact CE1-CE 3.84Å; F319-M323 HydrophobicContact CE1-CG 4.08Å; F319-M323 HydrophobicContact CE2-CE 3.55Å; F319-M323 HydrophobicContact CE2-CG 4.49Å; F319-M323 HydrophobicContact CZ-CE 3.17Å; F319-M323 HydrophobicContact CZ-CG 4.21Å; F319-M323 VanDerWaalsContact O-CB 3.31Å; F319-M323 WeakPolarHBondContact O-CB 3.43Å; F319-M323 WeakPolarHBondContact O-CG 3.28Å; F319-M323 PolarHBondContact O-N 2.95Å |
| 320 | Y | 83.5 | Confident | 80.5 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 177.3 | -177.4 | -93.1 | 0 | 0 | 0 | 111.4 | E260 L263 F316 D317 E318 M323 T324 | E260-Y320 HydrophobicContact CG-CE2 4.13Å; L263-Y320 HydrophobicContact CD1-CD2 4.03Å; L263-Y320 HydrophobicContact CD1-CE2 4.28Å; F316-Y320 HydrophobicContact CE1-CD2 4.46Å; F316-Y320 HydrophobicContact CZ-CD2 4.26Å; F316-Y320 WeakPolarHBondContact O-CB 3.32Å; F316-Y320 PolarHBondContact O-N 3.13Å; D317-Y320 PolarHBondContact O-N 3.15Å; E318-Y320 VanDerWaalsContact C-N 3.31Å; E318-Y320 PolarHBondContact O-N 2.75Å; Y320-M323 CarbonylContact O-C 3.37Å; Y320-M323 PolarHBondContact O-N 3.12Å; Y320-M323 VanDerWaalsContact O-N 3.16Å; Y320-T324 HydrophobicContact CD1-CG2 4.13Å; Y320-T324 HydrophobicContact CD2-CG2 4.16Å; Y320-T324 HydrophobicContact CE1-CG2 3.72Å; Y320-T324 WeakPolarHBondContact CE1-OG1 3.35Å; Y320-T324 HydrophobicContact CE2-CG2 3.76Å; Y320-T324 HydrophobicContact CG-CG2 4.34Å; Y320-T324 WeakPolarHBondContact O-CB 3.46Å; Y320-T324 WeakPolarHBondContact O-CG2 3.26Å; Y320-T324 PolarHBondContact O-N 3.33Å; Y320-T324 PolarHBondContact O-OG1 2.87Å |
| 321 | K | 81 | Confident | 80.1 | Confident | 121 Ų | 121 | 52.8 Ų | 52.8 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 174.4 | -75.7 | 168.2 | -170.9 | 163.3 | 0 | 111.3 | D317 E318 M323 T324 S325 | D317-K321 WeakPolarHBondContact O-CB 3.44Å; D317-K321 WeakPolarHBondContact O-CG 3.47Å; D317-K321 PolarHBondContact O-N 2.94Å; E318-K321 PolarHBondContact O-N 2.92Å; K321-M323 PolarHBondContact O-N 3.32Å; K321-T324 PolarHBondContact O-N 3.25Å; K321-S325 WeakPolarHBondContact O-CA 3.33Å; K321-S325 WeakPolarHBondContact O-CB 3.38Å; K321-S325 PolarHBondContact O-N 3.1Å; K321-S325 PolarHBondContact O-OG 2.83Å |
| 322 | L | 76 | Confident | 79.6 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.7 | -47.8 | 173.6 | 177.3 | 62.2 | 0 | 0 | 0 | 109.4 | W165 T306 E318 F319 T324 S325 | W165-L322 HydrophobicContact CH2-CB 4.43Å; W165-L322 HydrophobicContact CH2-CD1 3.2Å; W165-L322 HydrophobicContact CH2-CD2 4.1Å; W165-L322 HydrophobicContact CH2-CG 3.3Å; W165-L322 VanDerWaalsContact CH2-O 3.3Å; W165-L322 WeakPolarHBondContact CH2-O 3.35Å; W165-L322 HydrophobicContact CZ2-CD1 3.34Å; W165-L322 HydrophobicContact CZ2-CG 4.01Å; W165-L322 HydrophobicContact CZ3-CD1 4.08Å; W165-L322 HydrophobicContact CZ3-CD2 4.19Å; W165-L322 HydrophobicContact CZ3-CG 3.85Å; T306-L322 HydrophobicContact CG2-CB 4.03Å; T306-L322 HydrophobicContact CG2-CD2 3.71Å; T306-L322 HydrophobicContact CG2-CG 4.25Å; T306-L322 VanDerWaalsContact OG1-CD1 3.28Å; T306-L322 WeakPolarHBondContact OG1-CD1 3.38Å; T306-L322 WeakPolarHBondContact OG1-CD2 3.43Å; E318-L322 VanDerWaalsContact O-CB 3.23Å; E318-L322 WeakPolarHBondContact O-CB 3.45Å; E318-L322 PolarHBondContact O-N 3.49Å; F319-L322 WeakPolarHBondContact O-CB 3.41Å; F319-L322 PolarHBondContact O-N 2.97Å; L322-T324 PolarHBondContact O-N 3.06Å; L322-S325 PolarHBondContact O-OG 3.29Å |
| 323 | M | 73.2 | Confident | 79 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.9 | -15.9 | -177.8 | -68 | -72.7 | -155.2 | 0 | 0 | 115.7 | W165 R166 L169 I170 M173 L263 F319 Y320 K321 | W165-M323 HydrophobicContact CZ3-SD 4.11Å; R166-M323 VanDerWaalsContact CD-O 3.27Å; R166-M323 WeakPolarHBondContact CD-O 3.37Å; R166-M323 PolarHBondContact NE-O 3.31Å; R166-M323 PolarHBondContact NH1-O 3.37Å; R166-M323 PolarHBondContact NH2-O 2.92Å; L169-M323 HydrophobicContact CD2-CE 3.21Å; L169-M323 HydrophobicContact CD2-SD 3.95Å; L169-M323 HydrophobicContact CG-CE 3.67Å; I170-M323 HydrophobicContact CD1-SD 4.25Å; I170-M323 HydrophobicContact CG1-CE 4.34Å; I170-M323 HydrophobicContact CG1-SD 3.98Å; M173-M323 HydrophobicContact CE-CE 3.86Å; L263-M323 HydrophobicContact CD1-CB 3.72Å; L263-M323 HydrophobicContact CD1-CG 4.44Å; L263-M323 HydrophobicContact CD2-CB 3.71Å; L263-M323 HydrophobicContact CD2-CE 3.94Å; L263-M323 HydrophobicContact CD2-CG 3.57Å; L263-M323 HydrophobicContact CD2-SD 3.91Å; L263-M323 HydrophobicContact CG-CB 4.38Å; F319-M323 HydrophobicContact CD1-CG 4.27Å; F319-M323 HydrophobicContact CD2-CE 4.49Å; F319-M323 HydrophobicContact CE1-CE 3.84Å; F319-M323 HydrophobicContact CE1-CG 4.08Å; F319-M323 HydrophobicContact CE2-CE 3.55Å; F319-M323 HydrophobicContact CE2-CG 4.49Å; F319-M323 HydrophobicContact CZ-CE 3.17Å; F319-M323 HydrophobicContact CZ-CG 4.21Å; F319-M323 VanDerWaalsContact O-CB 3.31Å; F319-M323 WeakPolarHBondContact O-CB 3.43Å; F319-M323 WeakPolarHBondContact O-CG 3.28Å; F319-M323 PolarHBondContact O-N 2.95Å; Y320-M323 CarbonylContact O-C 3.37Å; Y320-M323 PolarHBondContact O-N 3.12Å; Y320-M323 VanDerWaalsContact O-N 3.16Å; K321-M323 PolarHBondContact O-N 3.32Å |
| 324 | T | 70 | Confident | 78.2 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -118.4 | -14 | -176.5 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | L263 Y320 K321 L322 | L263-T324 HydrophobicContact CD1-CG2 4.47Å; Y320-T324 HydrophobicContact CD1-CG2 4.13Å; Y320-T324 HydrophobicContact CD2-CG2 4.16Å; Y320-T324 HydrophobicContact CE1-CG2 3.72Å; Y320-T324 WeakPolarHBondContact CE1-OG1 3.35Å; Y320-T324 HydrophobicContact CE2-CG2 3.76Å; Y320-T324 HydrophobicContact CG-CG2 4.34Å; Y320-T324 WeakPolarHBondContact O-CB 3.46Å; Y320-T324 WeakPolarHBondContact O-CG2 3.26Å; Y320-T324 PolarHBondContact O-N 3.33Å; Y320-T324 PolarHBondContact O-OG1 2.87Å; K321-T324 PolarHBondContact O-N 3.25Å; L322-T324 PolarHBondContact O-N 3.06Å |
| 325 | S | 63.5 | Low | 77.4 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | trans | -64.2 | 133.4 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | K321 L322 | K321-S325 WeakPolarHBondContact O-CA 3.33Å; K321-S325 WeakPolarHBondContact O-CB 3.38Å; K321-S325 PolarHBondContact O-N 3.1Å; K321-S325 PolarHBondContact O-OG 2.83Å; L322-S325 PolarHBondContact O-OG 3.29Å | ||
| 326 | E | 45.3 | Very low | 76.2 | Confident | 198 Ų | 198 | 57.9 Ų | 57.9 | 93% | 0.925 | 29% | 0.285 | S | S | * | . | trans | -95.6 | 0 | 171.1 | -65.5 | -174 | 156 | 0 | 0 | 110.9 | T159 | T159-E326 WeakPolarHBondContact CG2-OXT 3.42Š|
Retrieved 326 of 326 residues in 254.5 ms
(Link to these results)