| 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 | E | 42.6 | Very low | 39.1 | Very low | 239 Ų | 239 | 162.4 Ų | 162.4 | 100% | 1.117 | 82% | 0.817 | S | S | * | * | 0 | 129.3 | 0 | -77.8 | 171.3 | 103.2 | 0 | 0 | 107.3 | |||||
| 2 | V | 35.2 | Very low | 39.7 | Very low | 131 Ų | 131 | 156.9 Ų | 156.9 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | cis | -149.4 | 111.9 | 45 | 167.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 3 | V | 41.1 | Very low | 40.5 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | 49 | 110.7 | 98.5 | -175.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 4 | Q | 40.6 | Very low | 41.2 | Very low | 194 Ų | 194 | 158.7 Ų | 158.7 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | -161.6 | 110.8 | 125.2 | -111.1 | 176 | 13.9 | 0 | 0 | 112.5 | |||||
| 5 | E | 40.1 | Very low | 41.4 | Very low | 149 Ų | 149 | 157.1 Ų | 157.1 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | trans | -66.1 | 141.5 | 159.1 | 169.5 | 179 | -176.7 | 0 | 0 | 109.6 | ||||
| 6 | Q | 38.3 | Very low | 41.5 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | 144.3 | 145.4 | 100 | -130.1 | 168.9 | 46.6 | 0 | 0 | 104.9 | |||||
| 7 | V | 32.8 | Very low | 42.1 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | -173.7 | 140.2 | 65 | 170.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 8 | K | 43.4 | Very low | 42.5 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -47.6 | 137.2 | 163.1 | 172.2 | -173.5 | -179 | -175 | 0 | 115.9 | ||||
| 9 | E | 36.1 | Very low | 43.3 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -161.8 | 132.7 | 133 | -142.6 | 172.1 | 149.9 | 0 | 0 | 113.6 | ||||
| 10 | E | 44.4 | Very low | 43.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -93.4 | 131.7 | 175.8 | 175.9 | -168.6 | 148.5 | 0 | 0 | 108.4 | ||||
| 11 | T | 35.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -151.2 | 117 | 156 | 6 | 0 | 0 | 0 | 0 | 110.4 | I13 | T11-I13 PolarHBondContact O-N 3.38Š| ||
| 12 | A | 47.1 | Very low | 44.8 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -64.6 | 120.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | I | 49.5 | Very low | 45.8 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -140.2 | 113 | 162.1 | -52.2 | 177.4 | 0 | 0 | 0 | 108 | T11 | T11-I13 PolarHBondContact O-N 3.38Š| ||
| 14 | K | 51 | Low | 46.5 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 23.7 | 123.7 | 160.9 | -74.9 | 171.5 | 173.1 | 170.7 | 0 | 117.2 | A16 | K14-A16 PolarHBondContact O-N 3.17Š| ||
| 15 | P | 44.2 | Very low | 47.2 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -64.9 | 105.3 | 157.8 | 29.1 | -30.1 | 0 | 0 | 0 | 107.4 | A17 | P15-A17 PolarHBondContact O-N 3.06Å; P15-A17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | A | 43.3 | Very low | 47.9 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -49.6 | 124 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | K14 A18 | K14-A16 PolarHBondContact O-N 3.17Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.23Å | ||
| 17 | A | 50.2 | Low | 49 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -54.9 | 100.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | P15 K19 | P15-A17 PolarHBondContact O-N 3.06Å; P15-A17 VanDerWaalsContact O-N 3.15Å; A17-K19 PolarHBondContact O-N 3.11Å | ||
| 18 | A | 51 | Low | 50 | Low | 88 Ų | 88 | 151.1 Ų | 151.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -57.9 | 113.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | A16 V20 | A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.23Å; A18-V20 PolarHBondContact O-N 2.98Å | ||
| 19 | K | 57.4 | Low | 50.4 | Low | 189 Ų | 189 | 148.7 Ų | 148.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -44.8 | 107.3 | 175.9 | -71.6 | -178.9 | 174.9 | 178.1 | 0 | 108.2 | A17 N21 | A17-K19 PolarHBondContact O-N 3.11Å; K19-N21 VanDerWaalsContact C-N 3.26Å; K19-N21 PolarHBondContact O-N 3Å | ||
| 20 | V | 51.2 | Low | 51.5 | Low | 124 Ų | 124 | 145.6 Ų | 145.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -65.3 | 97 | 168.1 | 170.1 | 0 | 0 | 0 | 0 | 105.7 | A18 R22 | A18-V20 PolarHBondContact O-N 2.98Å; V20-R22 PolarHBondContact O-N 2.89Å | ||
| 21 | N | 52.2 | Low | 52.3 | Low | 140 Ų | 140 | 146.7 Ų | 146.7 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -59.1 | 91.8 | 165.6 | -78.1 | -63.1 | 0 | 0 | 0 | 107.5 | K19 T23 | K19-N21 VanDerWaalsContact C-N 3.26Å; K19-N21 PolarHBondContact O-N 3Å; N21-T23 PolarHBondContact O-N 3.31Å | ||
| 22 | R | 56.3 | Low | 53.3 | Low | 237 Ų | 237 | 146.1 Ų | 146.1 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -80.6 | 58.8 | -178.5 | -150.5 | 179.1 | -164.1 | 142.8 | 0.1 | 109.4 | V20 | V20-R22 PolarHBondContact O-N 2.89Š| ||
| 23 | T | 55.8 | Low | 54.4 | Low | 124 Ų | 124 | 148 Ų | 148 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -131.2 | 28.3 | 176.3 | 44.8 | 0 | 0 | 0 | 0 | 112.8 | N21 | N21-T23 PolarHBondContact O-N 3.31Š| ||
| 24 | K | 55.9 | Low | 55.9 | Low | 186 Ų | 186 | 145.2 Ų | 145.2 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -130.7 | 109 | 155.4 | -66.3 | -177 | -178.4 | 178.2 | 0 | 106.8 | R26 | K24-R26 PolarHBondContact O-N 3.16Š|
| 25 | Q | 56.2 | Low | 57.1 | Low | 163 Ų | 163 | 143.2 Ų | 143.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -51 | 99.4 | 155.2 | -86.6 | -161 | -11.9 | 0 | 0 | 106.3 | K27 | Q25-K27 PolarHBondContact O-N 3.45Å; Q25-K27 VanDerWaalsContact OE1-CE 3.26Å | ||
| 26 | R | 54.9 | Low | 58.9 | Low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -67.1 | 82.6 | 160.6 | -84.7 | 176.3 | 78.5 | -155.3 | 6.8 | 105 | K24 S28 | K24-R26 PolarHBondContact O-N 3.16Å; R26-S28 PolarHBondContact O-N 3.43Å | ||
| 27 | K | 61 | Low | 60.9 | Low | 171 Ų | 171 | 137.8 Ų | 137.8 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -63 | 79 | 153.4 | -76.5 | 173.7 | 173.6 | 177.7 | 0 | 105.7 | Q25 F29 | Q25-K27 PolarHBondContact O-N 3.45Å; Q25-K27 VanDerWaalsContact OE1-CE 3.26Å; K27-F29 PolarHBondContact O-N 2.88Å | ||
| 28 | S | 54.4 | Low | 62.4 | Low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | trans | -72.2 | 63.9 | 157.4 | 56.2 | 0 | 0 | 0 | 0 | 107.4 | R26 S30 | R26-S28 PolarHBondContact O-N 3.43Å; S28-S30 PolarHBondContact O-N 3.01Å | ||
| 29 | F | 50.3 | Low | 63.9 | Low | 140 Ų | 140 | 138.9 Ų | 138.9 | 61% | 0.614 | 67% | 0.674 | S | S | * | * | trans | -76.9 | 72.9 | 158.7 | -153.1 | -104.4 | 0 | 0 | 0 | 105.5 | K27 R31 | K27-F29 PolarHBondContact O-N 2.88Å; F29-R31 HydrophobicContact CD1-CB 3.3Å; F29-R31 HydrophobicContact CD2-CB 4.33Å; F29-R31 HydrophobicContact CE1-CB 3.2Å; F29-R31 HydrophobicContact CE1-CG 4.23Å; F29-R31 HydrophobicContact CE2-CB 4.25Å; F29-R31 HydrophobicContact CG-CB 3.9Å; F29-R31 HydrophobicContact CZ-CB 3.72Å; F29-R31 HydrophobicContact CZ-CG 4.29Å; F29-R31 PolarHBondContact O-N 3.38Å | ||
| 30 | S | 60 | Low | 65 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 62.6 | 164.7 | 173.7 | 0 | 0 | 0 | 0 | 108.4 | S28 | S28-S30 PolarHBondContact O-N 3.01Š|
| 31 | R | 60.6 | Low | 66.5 | Low | 197 Ų | 197 | 139.5 Ų | 139.5 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.3 | 7.1 | -171.2 | -99.1 | -178.3 | 156.6 | -148 | -6.4 | 114.4 | F29 | F29-R31 HydrophobicContact CD1-CB 3.3Å; F29-R31 HydrophobicContact CD2-CB 4.33Å; F29-R31 HydrophobicContact CE1-CB 3.2Å; F29-R31 HydrophobicContact CE1-CG 4.23Å; F29-R31 HydrophobicContact CE2-CB 4.25Å; F29-R31 HydrophobicContact CG-CB 3.9Å; F29-R31 HydrophobicContact CZ-CB 3.72Å; F29-R31 HydrophobicContact CZ-CG 4.29Å; F29-R31 PolarHBondContact O-N 3.38Å |
| 32 | S | 56.4 | Low | 67.9 | Low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | trans | -131.6 | 72 | 165 | -69.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | R | 71.3 | Confident | 69 | Low | 136 Ų | 136 | 135.9 Ų | 135.9 | 51% | 0.513 | 64% | 0.64 | S | S | . | * | trans | -91.5 | 117.2 | 162.7 | -160.7 | 161.3 | -167.5 | -103.5 | -11.5 | 107.2 | G37 R41 | R33-G37 PolarHBondContact NH1-O 2.72Å; R33-G37 PolarHBondContact NH2-O 3.38Å; R33-R41 VanDerWaalsContact NH1-CD 3.25Å | ||
| 34 | T | 80.6 | Confident | 70 | Confident | 94 Ų | 94 | 139 Ų | 139 | 58% | 0.577 | 64% | 0.638 | S | S | * | * | trans | -56.3 | 146.3 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | I36 G37 Q38 | T34-I36 PolarHBondContact O-N 3.35Å; T34-I36 VanDerWaalsContact O-N 3.11Å; T34-I36 VanDerWaalsContact OG1-CG2 3.23Å; T34-I36 WeakPolarHBondContact OG1-CG2 3.28Å; T34-G37 WeakPolarHBondContact O-CA 3.31Å; T34-G37 PolarHBondContact O-N 3.38Å; T34-Q38 PolarHBondContact O-N 3.19Å | ||
| 35 | H | 76.6 | Confident | 70.6 | Confident | 144 Ų | 144 | 134.2 Ų | 134.2 | 67% | 0.667 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -46.8 | -41.4 | 176.2 | 178.7 | -100.3 | 0 | 0 | 0 | 111.9 | G37 Q38 Q39 | H35-G37 PolarHBondContact O-N 3.19Å; H35-Q38 PolarHBondContact O-N 3.03Å; H35-Q39 PolarHBondContact O-N 3.02Å |
| 36 | I | 81.3 | Confident | 70.9 | Confident | 96 Ų | 96 | 130.9 Ų | 130.9 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63 | -38.1 | 176.8 | -167.8 | 66.9 | 0 | 0 | 0 | 113.5 | T34 Q38 Q39 R40 | T34-I36 PolarHBondContact O-N 3.35Å; T34-I36 VanDerWaalsContact O-N 3.11Å; T34-I36 VanDerWaalsContact OG1-CG2 3.23Å; T34-I36 WeakPolarHBondContact OG1-CG2 3.28Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.46Å; I36-Q39 PolarHBondContact O-N 2.99Å; I36-R40 WeakPolarHBondContact O-CG 3.37Å; I36-R40 PolarHBondContact O-N 3.14Å |
| 37 | G | 84.4 | Confident | 71.2 | Confident | 13 Ų | 13 | 123.8 Ų | 123.8 | 13% | 0.134 | 60% | 0.6 | C | S | . | * | H | α-helix | trans | -68.5 | -33.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R33 T34 H35 R41 | R33-G37 PolarHBondContact NH1-O 2.72Å; R33-G37 PolarHBondContact NH2-O 3.38Å; T34-G37 WeakPolarHBondContact O-CA 3.31Å; T34-G37 PolarHBondContact O-N 3.38Å; H35-G37 PolarHBondContact O-N 3.19Å; G37-R41 PolarHBondContact O-N 3.37Å |
| 38 | Q | 82.9 | Confident | 71.2 | Confident | 96 Ų | 96 | 123.2 Ų | 123.2 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.3 | -44.5 | 175.8 | -162.6 | 166.8 | 53.2 | 0 | 0 | 111.3 | T34 H35 I36 R40 R41 R42 | T34-Q38 PolarHBondContact O-N 3.19Å; H35-Q38 PolarHBondContact O-N 3.03Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.46Å; Q38-R40 PolarHBondContact O-N 3.09Å; Q38-R41 PolarHBondContact O-N 3.42Å; Q38-R41 VanDerWaalsContact O-N 3.12Å; Q38-R42 PolarHBondContact O-N 3.14Å |
| 39 | Q | 81.4 | Confident | 71.4 | Confident | 111 Ų | 111 | 123 Ų | 123 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.9 | -43.3 | 175.8 | -166.1 | 178.2 | -6.7 | 0 | 0 | 112.2 | H35 I36 R41 R42 H43 | H35-Q39 PolarHBondContact O-N 3.02Å; I36-Q39 PolarHBondContact O-N 2.99Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; Q39-R41 PolarHBondContact O-N 3.47Å; Q39-R42 PolarHBondContact O-N 3.46Å; Q39-H43 PolarHBondContact O-N 2.7Å |
| 40 | R | 81.3 | Confident | 71.8 | Confident | 165 Ų | 165 | 121.2 Ų | 121.2 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.3 | -34.1 | 174.4 | -76.6 | -176.2 | 177.7 | -86.7 | 3.8 | 113.6 | I36 Q38 R44 | I36-R40 WeakPolarHBondContact O-CG 3.37Å; I36-R40 PolarHBondContact O-N 3.14Å; Q38-R40 PolarHBondContact O-N 3.09Å; R40-R44 WeakPolarHBondContact O-CG 3.26Å; R40-R44 PolarHBondContact O-N 3.38Å |
| 41 | R | 82.6 | Confident | 71.8 | Confident | 161 Ų | 161 | 122.7 Ų | 122.7 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.5 | -44.9 | 175 | -94.1 | -161.1 | -165.6 | -151.7 | 2.4 | 111.8 | R33 G37 Q38 Q39 H43 R44 T45 | R33-R41 VanDerWaalsContact NH1-CD 3.25Å; G37-R41 PolarHBondContact O-N 3.37Å; Q38-R41 PolarHBondContact O-N 3.42Å; Q38-R41 VanDerWaalsContact O-N 3.12Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; Q39-R41 PolarHBondContact O-N 3.47Å; R41-H43 VanDerWaalsContact C-N 3.32Å; R41-H43 PolarHBondContact O-N 2.69Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R41-T45 PolarHBondContact O-N 3.29Å; R41-T45 PolarHBondContact O-OG1 2.8Å |
| 42 | R | 82 | Confident | 71.7 | Confident | 153 Ų | 153 | 120.2 Ų | 120.2 | 58% | 0.577 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -53.1 | -54 | 174.1 | -69 | -179.2 | -176.3 | 169.3 | 1.9 | 109.1 | Q38 Q39 R44 T45 V46 | Q38-R42 PolarHBondContact O-N 3.14Å; Q39-R42 PolarHBondContact O-N 3.46Å; R42-R44 PolarHBondContact O-N 2.86Å; R42-R44 VanDerWaalsContact O-N 3.11Å; R42-T45 PolarHBondContact O-N 3.44Å; R42-T45 PolarHBondContact O-OG1 2.98Å; R42-T45 VanDerWaalsContact O-OG1 3.11Å; R42-V46 VanDerWaalsContact C-CG2 3.45Å; R42-V46 HydrophobicContact CB-CG2 4.32Å; R42-V46 WeakPolarHBondContact O-CG2 3.48Å; R42-V46 PolarHBondContact O-N 3.44Å |
| 43 | H | 78.3 | Confident | 71.5 | Confident | 149 Ų | 149 | 120 Ų | 120 | 69% | 0.69 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -57.1 | -32.7 | 179.4 | -162.1 | -72.3 | 0 | 0 | 0 | 114.3 | Q39 R41 | Q39-H43 PolarHBondContact O-N 2.7Å; R41-H43 VanDerWaalsContact C-N 3.32Å; R41-H43 PolarHBondContact O-N 2.69Å |
| 44 | R | 77.1 | Confident | 70.4 | Confident | 190 Ų | 190 | 119.2 Ų | 119.2 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.2 | -34.9 | 174.1 | -75 | 179.9 | -177.3 | 175.3 | -0.5 | 113.1 | R40 R41 R42 | R40-R44 WeakPolarHBondContact O-CG 3.26Å; R40-R44 PolarHBondContact O-N 3.38Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R42-R44 PolarHBondContact O-N 2.86Å; R42-R44 VanDerWaalsContact O-N 3.11Å |
| 45 | T | 68.7 | Low | 68.7 | Low | 85 Ų | 85 | 120.7 Ų | 120.7 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -87.4 | -33.6 | -178 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | R41 R42 S47 M48 | R41-T45 PolarHBondContact O-N 3.29Å; R41-T45 PolarHBondContact O-OG1 2.8Å; R42-T45 PolarHBondContact O-N 3.44Å; R42-T45 PolarHBondContact O-OG1 2.98Å; R42-T45 VanDerWaalsContact O-OG1 3.11Å; T45-S47 PolarHBondContact O-N 2.88Å; T45-M48 PolarHBondContact O-N 3.46Å |
| 46 | V | 62.9 | Low | 67 | Low | 92 Ų | 92 | 119 Ų | 119 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.8 | -27.7 | 178.8 | -145.9 | 0 | 0 | 0 | 0 | 111.2 | R42 M48 C49 S50 | R42-V46 VanDerWaalsContact C-CG2 3.45Å; R42-V46 HydrophobicContact CB-CG2 4.32Å; R42-V46 WeakPolarHBondContact O-CG2 3.48Å; R42-V46 PolarHBondContact O-N 3.44Å; V46-M48 PolarHBondContact O-N 3.47Å; V46-M48 VanDerWaalsContact O-N 3.16Å; V46-C49 PolarHBondContact O-N 3.35Å; V46-S50 PolarHBondContact O-OG 3.32Å |
| 47 | S | 61.2 | Low | 65.3 | Low | 78 Ų | 78 | 120 Ų | 120 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.5 | 179.3 | -159 | 0 | 0 | 0 | 0 | 114.1 | T45 | T45-S47 PolarHBondContact O-N 2.88Š|
| 48 | M | 61.4 | Low | 63 | Low | 159 Ų | 159 | 126.1 Ų | 126.1 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 1.1 | -178.4 | -61.8 | -80.2 | 82.9 | 0 | 0 | 113.4 | T45 V46 | T45-M48 PolarHBondContact O-N 3.46Å; V46-M48 PolarHBondContact O-N 3.47Å; V46-M48 VanDerWaalsContact O-N 3.16Å |
| 49 | C | 58.2 | Low | 61 | Low | 94 Ų | 94 | 128.7 Ų | 128.7 | 64% | 0.635 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -111 | 16.9 | -178.1 | -62 | 0 | 0 | 0 | 0 | 113.3 | V46 D51 | V46-C49 PolarHBondContact O-N 3.35Å; C49-D51 PolarHBondContact O-N 3.34Å |
| 50 | S | 58.7 | Low | 59.2 | Low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | -85.6 | 2.6 | -171.7 | -57.2 | 0 | 0 | 0 | 0 | 115.5 | V46 | V46-S50 PolarHBondContact O-OG 3.32Š| ||
| 51 | D | 59.2 | Low | 57.1 | Low | 151 Ų | 151 | 130.6 Ų | 130.6 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | -124.9 | 46.2 | -167.9 | -150.6 | 11.8 | 0 | 0 | 0 | 114.5 | C49 | C49-D51 PolarHBondContact O-N 3.34Š| ||
| 52 | I | 59.4 | Low | 54.9 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | -130.7 | 111 | 160 | -53.2 | 90.6 | 0 | 0 | 0 | 108.3 | ||||
| 53 | P | 51.3 | Low | 52.8 | Low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 135.3 | 173.7 | 28.8 | -31.6 | 0 | 0 | 0 | 110.6 | S55 | P53-S55 PolarHBondContact O-N 3.45Š|
| 54 | P | 48.2 | Very low | 50.7 | Low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 122.9 | 167.9 | 29.3 | -30.7 | 0 | 0 | 0 | 109.8 | S56 | P54-S56 PolarHBondContact O-N 2.8Š|
| 55 | S | 45.8 | Very low | 48.6 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128 | 168.1 | -171.7 | 0 | 0 | 0 | 0 | 110 | P53 | P53-S55 PolarHBondContact O-N 3.45Š|
| 56 | S | 40.9 | Very low | 46.8 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 136.2 | 178.4 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | P54 | P54-S56 PolarHBondContact O-N 2.8Š|
| 57 | P | 44.5 | Very low | 45.2 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -89 | 129.4 | 165.7 | 33 | -26.5 | 0 | 0 | 0 | 110.3 | ||
| 58 | D | 37.9 | Very low | 44.2 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 130.1 | 172.3 | -159.9 | 15.9 | 0 | 0 | 0 | 109.7 | ||
| 59 | I | 40.8 | Very low | 42.9 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -132.7 | 111 | 170 | -68.7 | 177 | 0 | 0 | 0 | 107.7 | ||||
| 60 | E | 42.3 | Very low | 41.5 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -66.2 | 133.9 | 179 | -56 | -170.9 | -177.9 | 0 | 0 | 111.6 | ||||
| 61 | V | 38.2 | Very low | 40.2 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -81.6 | 121.1 | 168.7 | 170.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 62 | L | 35.9 | Very low | 38.8 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | -128 | 115.5 | 156.5 | -170.5 | 59.3 | 0 | 0 | 0 | 110.9 | ||||
| 63 | S | 37.9 | Very low | 37.6 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | -56.7 | 140.5 | 165.3 | 175 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 64 | Q | 34.1 | Very low | 36.6 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -155.2 | 134.9 | 143.3 | -114.5 | 166.7 | 63.8 | 0 | 0 | 112.4 | ||||
| 65 | Q | 33 | Very low | 35.9 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -117.4 | 141.1 | -171.9 | 158.7 | 173.5 | -24.3 | 0 | 0 | 107 | ||||
| 66 | N | 30.5 | Very low | 35.2 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 171 | 125.5 | 141.5 | -101.7 | 5.7 | 0 | 0 | 0 | 112.3 | ||||
| 67 | E | 29 | Very low | 35.5 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | 94.4 | 103.8 | 107.5 | -76.1 | 175.8 | -171.3 | 0 | 0 | 110.9 | |||||
| 68 | I | 40.8 | Very low | 34.7 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | 46.4 | 95 | 75.1 | -47.3 | 173.8 | 0 | 0 | 0 | 113 | |||||
| 69 | E | 34.2 | Very low | 34.4 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -145.1 | 130.1 | 145.1 | 57.2 | -175.5 | 174.5 | 0 | 0 | 112.5 | ||||
| 70 | N | 29.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -66.4 | 141.8 | 169.1 | -89.3 | -68.2 | 0 | 0 | 0 | 110.3 | ||||
| 71 | T | 30.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | trans | -159 | 133 | 131.3 | -3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 72 | V | 30.2 | Very low | 32.9 | Very low | 114 Ų | 114 | 142 Ų | 142 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -91.3 | 132.4 | -178 | 163.7 | 0 | 0 | 0 | 0 | 109.7 | A74 | V72-A74 HydrophobicContact CG1-CB 4.43Š| ||
| 73 | L | 35 | Very low | 32.7 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -157.9 | 102.8 | 150.2 | -76.8 | -179.5 | 0 | 0 | 0 | 105.2 | ||||
| 74 | A | 29.8 | Very low | 32.5 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 57% | 0.57 | 77% | 0.773 | S | S | * | * | 67 | 115 | 56.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V72 | V72-A74 HydrophobicContact CG1-CB 4.43Š| |||
| 75 | I | 32.4 | Very low | 32.8 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | trans | 109.9 | 121 | 151.3 | -55.1 | 149.9 | 0 | 0 | 0 | 115.9 | ||||
| 76 | E | 31.1 | Very low | 33.2 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -93.4 | -159.2 | -179.4 | -153.3 | -133.2 | 175.1 | 0 | 0 | 110.3 | ||||
| 77 | P | 47.5 | Very low | 33.7 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 59% | 0.591 | 78% | 0.783 | S | S | * | * | -98.8 | 170 | -116 | 42.8 | -25.9 | 0 | 0 | 0 | 114.6 | |||||
| 78 | E | 29 | Very low | 34.4 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -134 | 157 | 164.8 | -83.4 | -163.4 | 157.8 | 0 | 0 | 113.1 | ||||
| 79 | T | 30.5 | Very low | 34.4 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -100.9 | -179.4 | -149 | 39.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 80 | E | 30.6 | Very low | 34.5 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 84 | 143.3 | 157.3 | -61.3 | -162.8 | 144.5 | 0 | 0 | 117 | ||||
| 81 | T | 29.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | cis | -164.6 | 134.6 | 10.7 | 4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 82 | A | 29.3 | Very low | 35.3 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | 74.9 | 119.8 | 107.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 83 | V | 32.4 | Very low | 36 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 99 | 133.3 | 130.5 | 173.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 84 | A | 33.2 | Very low | 36.2 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | 99.2 | 89.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 85 | E | 40.7 | Very low | 36.8 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -24.4 | 127.4 | 135.8 | -178.8 | 178.9 | -170.1 | 0 | 0 | 116.3 | ||||
| 86 | I | 40.6 | Very low | 37.2 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | -150.5 | 105.1 | 153.3 | -24.6 | 163.9 | 0 | 0 | 0 | 109.1 | ||||
| 87 | I | 41.2 | Very low | 38.1 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -107.5 | 133 | 160.2 | -67.3 | 171.2 | 0 | 0 | 0 | 105.9 | ||||
| 88 | P | 44.8 | Very low | 37.7 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -134.6 | 133.8 | 126.9 | 23.5 | -4.8 | 0 | 0 | 0 | 113.5 | |||||
| 89 | E | 39.9 | Very low | 38.7 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -36.9 | 132.1 | 160.6 | -179.3 | -174.2 | 176 | 0 | 0 | 115.6 | ||||
| 90 | A | 37.2 | Very low | 39.6 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | -170.6 | 124.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 91 | E | 33.3 | Very low | 40.8 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 72 | 106 | 145.5 | -145.6 | -168.1 | -175.6 | 0 | 0 | 120.9 | ||||
| 92 | V | 43.2 | Very low | 41.9 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -89 | 132.7 | 155.1 | -170.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 93 | P | 44.6 | Very low | 43.6 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | -155.1 | 84.5 | 79.3 | 37.8 | -14.3 | 0 | 0 | 0 | 114 | L95 | P93-L95 VanDerWaalsContact C-N 3.25Å; P93-L95 PolarHBondContact O-N 2.93Å | |||
| 94 | A | 39.3 | Very low | 45 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 81.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N96 | A94-N96 PolarHBondContact O-N 3.27Š| ||
| 95 | L | 41.7 | Very low | 46.6 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 17.4 | 82.6 | 147 | -167.2 | 82.4 | 0 | 0 | 0 | 113.3 | P93 K97 | P93-L95 VanDerWaalsContact C-N 3.25Å; P93-L95 PolarHBondContact O-N 2.93Å; L95-K97 PolarHBondContact O-N 3.03Å | ||
| 96 | N | 41.9 | Very low | 47.7 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -49.4 | 111.3 | 165.2 | -85.8 | -68 | 0 | 0 | 0 | 106.7 | A94 C98 | A94-N96 PolarHBondContact O-N 3.27Å; N96-C98 VanDerWaalsContact C-N 3.33Å; N96-C98 PolarHBondContact O-N 3.39Å | ||
| 97 | K | 48.9 | Very low | 49.2 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -61.6 | 102.4 | -177.6 | -59.8 | -155.3 | -178.8 | -168.9 | 0 | 106.8 | L95 P99 | L95-K97 PolarHBondContact O-N 3.03Å; K97-P99 WeakPolarHBondContact O-CD 3.4Å; K97-P99 VanDerWaalsContact O-N 3.15Å | ||
| 98 | C | 40.6 | Very low | 50.6 | Low | 90 Ų | 90 | 139.8 Ų | 139.8 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | trans | -45.7 | 120.4 | 173.3 | -41.3 | 0 | 0 | 0 | 0 | 107.7 | N96 T100 | N96-C98 VanDerWaalsContact C-N 3.33Å; N96-C98 PolarHBondContact O-N 3.39Å; C98-T100 WeakPolarHBondContact CB-OG1 2.96Å; C98-T100 PolarHBondContact O-N 3.32Å | ||
| 99 | P | 49.1 | Very low | 52.2 | Low | 132 Ų | 132 | 139.1 Ų | 139.1 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | trans | -75.3 | 69.3 | 169 | 30.6 | -31.4 | 0 | 0 | 0 | 108 | K97 K101 | K97-P99 WeakPolarHBondContact O-CD 3.4Å; K97-P99 VanDerWaalsContact O-N 3.15Å; P99-K101 PolarHBondContact O-N 2.95Å; P99-K101 VanDerWaalsContact O-N 3.07Å | ||
| 100 | T | 50.7 | Low | 53.9 | Low | 107 Ų | 107 | 133.5 Ų | 133.5 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | trans | -83.7 | 66.8 | 173.2 | -22.1 | 0 | 0 | 0 | 0 | 108.9 | C98 | C98-T100 WeakPolarHBondContact CB-OG1 2.96Å; C98-T100 PolarHBondContact O-N 3.32Å | ||
| 101 | K | 55.3 | Low | 55.6 | Low | 171 Ų | 171 | 134 Ų | 134 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -143.8 | 81.2 | 167.5 | -57.2 | -66.8 | 160.4 | -169.3 | 0 | 111.3 | P99 | P99-K101 PolarHBondContact O-N 2.95Å; P99-K101 VanDerWaalsContact O-N 3.07Å |
| 102 | Y | 52.2 | Low | 57.6 | Low | 199 Ų | 199 | 131 Ų | 131 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | trans | 68 | 121.9 | 153.8 | -65.6 | -87 | 0 | 0 | 0 | 119.5 | ||||
| 103 | P | 64.3 | Low | 58.9 | Low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -77.6 | 127.3 | 177.8 | 31.6 | -31.2 | 0 | 0 | 0 | 111.3 | T105 | P103-T105 PolarHBondContact O-N 2.88Š|
| 104 | K | 62.2 | Low | 60.2 | Low | 204 Ų | 204 | 135.2 Ų | 135.2 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | trans | 44.7 | 70.4 | 153.9 | -66.4 | 172.7 | 177.5 | 172.7 | 0 | 115.8 | ||||
| 105 | T | 67.3 | Low | 61.1 | Low | 75 Ų | 75 | 132.9 Ų | 132.9 | 46% | 0.46 | 66% | 0.662 | S | S | . | * | trans | -86.9 | 149.7 | 157.6 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | P103 K107 H108 | P103-T105 PolarHBondContact O-N 2.88Å; T105-K107 PolarHBondContact O-N 3.28Å; T105-H108 WeakPolarHBondContact O-CB 3.25Å; T105-H108 PolarHBondContact O-N 3.48Å | ||
| 106 | K | 63 | Low | 62.1 | Low | 176 Ų | 176 | 134.5 Ų | 134.5 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -48.7 | -29.2 | 172.9 | -179 | -178.4 | 176.6 | -173.6 | 0 | 112.3 | L109 V110 | K106-L109 PolarHBondContact O-N 2.94Å; K106-V110 HydrophobicContact CG-CG2 4.39Å; K106-V110 VanDerWaalsContact O-CG2 3.26Å; K106-V110 WeakPolarHBondContact O-CG2 3.39Å; K106-V110 PolarHBondContact O-N 3.39Å |
| 107 | K | 72.8 | Confident | 62.8 | Low | 167 Ų | 167 | 134.3 Ų | 134.3 | 73% | 0.726 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.3 | -37.7 | 176.7 | -64.6 | -67.9 | -170.2 | 168.1 | 0 | 112.6 | T105 V110 N111 | T105-K107 PolarHBondContact O-N 3.28Å; K107-V110 PolarHBondContact O-N 3.35Å; K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 2.79Å |
| 108 | H | 71.2 | Confident | 63 | Low | 99 Ų | 99 | 130.6 Ų | 130.6 | 46% | 0.458 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.1 | -45.5 | 175.8 | -100.9 | 61.3 | 0 | 0 | 0 | 111.6 | T105 V110 N111 E112 | T105-H108 WeakPolarHBondContact O-CB 3.25Å; T105-H108 PolarHBondContact O-N 3.48Å; H108-V110 VanDerWaalsContact C-N 3.29Å; H108-V110 PolarHBondContact O-N 3.07Å; H108-N111 CarbonylContact O-C 3.58Å; H108-N111 WeakPolarHBondContact O-CA 3.2Å; H108-N111 WeakPolarHBondContact O-CB 3.47Å; H108-N111 PolarHBondContact O-N 3.23Å; H108-E112 WeakPolarHBondContact O-CG 3.27Å; H108-E112 PolarHBondContact O-N 2.96Å |
| 109 | L | 78.4 | Confident | 63.4 | Low | 105 Ų | 105 | 134.3 Ų | 134.3 | 55% | 0.55 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61.5 | -39.4 | 177.1 | -172.2 | 67.1 | 0 | 0 | 0 | 111.9 | K106 N111 W113 | K106-L109 PolarHBondContact O-N 2.94Å; L109-N111 VanDerWaalsContact C-N 3.34Å; L109-W113 VanDerWaalsContact O-CD1 3.28Å; L109-W113 PolarHBondContact O-N 3.33Å; L109-W113 VanDerWaalsContact O-N 3.17Å |
| 110 | V | 75.5 | Confident | 63.2 | Low | 69 Ų | 69 | 136.8 Ų | 136.8 | 42% | 0.418 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.5 | -36.7 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | K106 K107 H108 L114 | K106-V110 HydrophobicContact CG-CG2 4.39Å; K106-V110 VanDerWaalsContact O-CG2 3.26Å; K106-V110 WeakPolarHBondContact O-CG2 3.39Å; K106-V110 PolarHBondContact O-N 3.39Å; K107-V110 PolarHBondContact O-N 3.35Å; H108-V110 VanDerWaalsContact C-N 3.29Å; H108-V110 PolarHBondContact O-N 3.07Å; V110-L114 HydrophobicContact CG1-CD1 3.82Å; V110-L114 HydrophobicContact CG1-CG 4.5Å; V110-L114 WeakPolarHBondContact O-CB 3.18Å; V110-L114 WeakPolarHBondContact O-CG 3.16Å; V110-L114 PolarHBondContact O-N 3.5Å; V110-L114 VanDerWaalsContact O-N 3.16Å |
| 111 | N | 72.9 | Confident | 62.8 | Low | 103 Ų | 103 | 138.7 Ų | 138.7 | 55% | 0.551 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.9 | -46.2 | 178 | -121.9 | 18.6 | 0 | 0 | 0 | 111.3 | K107 H108 L109 W113 L114 S115 | K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 2.79Å; H108-N111 CarbonylContact O-C 3.58Å; H108-N111 WeakPolarHBondContact O-CA 3.2Å; H108-N111 WeakPolarHBondContact O-CB 3.47Å; H108-N111 PolarHBondContact O-N 3.23Å; L109-N111 VanDerWaalsContact C-N 3.34Å; N111-W113 VanDerWaalsContact C-N 3.31Å; N111-W113 PolarHBondContact O-N 3.46Å; N111-L114 CarbonylContact O-C 3.49Å; N111-L114 PolarHBondContact O-N 3.18Å; N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.17Å; N111-S115 PolarHBondContact O-N 3.15Å; N111-S115 PolarHBondContact O-OG 2.9Å |
| 112 | E | 75.6 | Confident | 62 | Low | 118 Ų | 118 | 133.8 Ų | 133.8 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -58.6 | -42.7 | 178.3 | -71.2 | 177.9 | 134.1 | 0 | 0 | 111.3 | H108 L114 S115 E116 | H108-E112 WeakPolarHBondContact O-CG 3.27Å; H108-E112 PolarHBondContact O-N 2.96Å; E112-L114 VanDerWaalsContact C-N 3.3Å; E112-L114 PolarHBondContact O-N 3.43Å; E112-S115 WeakPolarHBondContact CA-OG 3.26Å; E112-S115 PolarHBondContact O-OG 2.99Å; E112-E116 PolarHBondContact O-N 3.4Å |
| 113 | W | 69.4 | Low | 61.4 | Low | 206 Ų | 206 | 134 Ų | 134 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.8 | -24.9 | 173.6 | -88.7 | 72.2 | 0 | 0 | 0 | 114.4 | L109 N111 | L109-W113 VanDerWaalsContact O-CD1 3.28Å; L109-W113 PolarHBondContact O-N 3.33Å; L109-W113 VanDerWaalsContact O-N 3.17Å; N111-W113 VanDerWaalsContact C-N 3.31Å; N111-W113 PolarHBondContact O-N 3.46Å |
| 114 | L | 70.9 | Confident | 60.5 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 62% | 0.618 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -95.6 | -23.8 | 179.1 | -70.9 | 176 | 0 | 0 | 0 | 113 | V110 N111 E112 | V110-L114 HydrophobicContact CG1-CD1 3.82Å; V110-L114 HydrophobicContact CG1-CG 4.5Å; V110-L114 WeakPolarHBondContact O-CB 3.18Å; V110-L114 WeakPolarHBondContact O-CG 3.16Å; V110-L114 PolarHBondContact O-N 3.5Å; V110-L114 VanDerWaalsContact O-N 3.16Å; N111-L114 CarbonylContact O-C 3.49Å; N111-L114 PolarHBondContact O-N 3.18Å; E112-L114 VanDerWaalsContact C-N 3.3Å; E112-L114 PolarHBondContact O-N 3.43Å |
| 115 | S | 60 | Low | 59.5 | Low | 50 Ų | 50 | 129.7 Ų | 129.7 | 35% | 0.35 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -91 | -13.7 | -177.3 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | N111 E112 K117 N118 | N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.17Å; N111-S115 PolarHBondContact O-N 3.15Å; N111-S115 PolarHBondContact O-OG 2.9Å; E112-S115 WeakPolarHBondContact CA-OG 3.26Å; E112-S115 PolarHBondContact O-OG 2.99Å; S115-K117 PolarHBondContact O-N 3.39Å; S115-N118 WeakPolarHBondContact CA-OD1 3.45Å; S115-N118 WeakPolarHBondContact CB-OD1 3.33Å; S115-N118 PolarHBondContact O-N 3.01Å; S115-N118 PolarHBondContact O-OD1 2.96Å |
| 116 | E | 62.4 | Low | 58.6 | Low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -14.9 | 171.9 | -169.3 | 161.1 | -140.1 | 0 | 0 | 112.7 | E112 | E112-E116 PolarHBondContact O-N 3.4Š|
| 117 | K | 56.1 | Low | 57.9 | Low | 148 Ų | 148 | 128.3 Ų | 128.3 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -21.8 | 171.7 | 171.3 | -177.1 | 170.3 | -167.8 | 0 | 114.5 | S115 E130 | S115-K117 PolarHBondContact O-N 3.39Å; K117-E130 IonicContact NZ-OE1 2.92Å; K117-E130 PolarHBondContact NZ-OE1 3.38Å |
| 118 | N | 54.1 | Low | 57 | Low | 112 Ų | 112 | 126 Ų | 126 | 60% | 0.599 | 66% | 0.663 | S | S | * | * | trans | -133.2 | 51 | -154.9 | 74 | -5.3 | 0 | 0 | 0 | 117.3 | S115 | S115-N118 WeakPolarHBondContact CA-OD1 3.45Å; S115-N118 WeakPolarHBondContact CB-OD1 3.33Å; S115-N118 PolarHBondContact O-N 3.01Å; S115-N118 PolarHBondContact O-OD1 2.96Å | ||
| 119 | E | 47.3 | Very low | 56.2 | Low | 168 Ų | 168 | 126.5 Ų | 126.5 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | trans | -157.3 | 105.7 | 158.6 | -151 | -172.7 | 98.9 | 0 | 0 | 113.3 | ||||
| 120 | K | 45 | Very low | 54.9 | Low | 184 Ų | 184 | 128.2 Ų | 128.2 | 80% | 0.8 | 68% | 0.684 | S | S | * | * | 157.2 | 113.3 | 109.9 | 58.9 | -139.3 | 159.6 | -169.3 | 0 | 113.3 | |||||
| 121 | T | 42 | Very low | 54 | Low | 148 Ų | 148 | 134.4 Ų | 134.4 | 91% | 0.908 | 70% | 0.699 | S | S | * | * | trans | 23.1 | 114.4 | 146 | -48.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 122 | G | 39.9 | Very low | 53.4 | Low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | 127.4 | 104.8 | 146 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 123 | K | 39.3 | Very low | 52.8 | Low | 203 Ų | 203 | 133 Ų | 133 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | 90 | 133.2 | 172.1 | -53.4 | -93.7 | -179.1 | 170.6 | 0 | 115.7 | S125 | K123-S125 PolarHBondContact O-N 2.84Å; K123-S125 VanDerWaalsContact O-N 3.16Å | ||
| 124 | P | 45.3 | Very low | 52.6 | Low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | trans | -81.6 | 94.6 | 176.9 | 33.5 | -28.5 | 0 | 0 | 0 | 108.5 | D126 | P124-D126 PolarHBondContact O-N 3.26Š| ||
| 125 | S | 41.8 | Very low | 52.6 | Low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | trans | -85.8 | 100.7 | 156.3 | 65.8 | 0 | 0 | 0 | 0 | 106.9 | K123 S127 | K123-S125 PolarHBondContact O-N 2.84Å; K123-S125 VanDerWaalsContact O-N 3.16Å; S125-S127 PolarHBondContact O-N 3.17Å | ||
| 126 | D | 46.8 | Very low | 53.4 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | trans | -33.3 | 113.7 | -176.2 | -76.3 | -65.8 | 0 | 0 | 0 | 116.1 | P124 L128 | P124-D126 PolarHBondContact O-N 3.26Å; D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 2.71Å | ||
| 127 | S | 49.1 | Very low | 54.2 | Low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | S | Bend | 56.9 | 10.7 | 119.9 | 76 | 0 | 0 | 0 | 0 | 120.9 | S125 | S125-S127 PolarHBondContact O-N 3.17Š| |
| 128 | L | 53.2 | Low | 55.6 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 62% | 0.618 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -86.4 | -12.2 | 175.9 | -64.7 | -172.8 | 0 | 0 | 0 | 114.9 | D126 | D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 2.71Å |
| 129 | S | 54.5 | Low | 56.9 | Low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -107.2 | 1.9 | -169.2 | 61.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 130 | E | 51.2 | Low | 58.6 | Low | 140 Ų | 140 | 124 Ų | 124 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -112.5 | -14.7 | -176.6 | -167.4 | 148.6 | -122.4 | 0 | 0 | 115.5 | K117 | K117-E130 IonicContact NZ-OE1 2.92Å; K117-E130 PolarHBondContact NZ-OE1 3.38Å |
| 131 | R | 56.5 | Low | 60.6 | Low | 199 Ų | 199 | 118.2 Ų | 118.2 | 75% | 0.751 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -97.7 | 143.2 | 162.2 | -97.4 | 80.7 | -174.7 | -168.7 | 5.5 | 108.6 | L133 | R131-L133 PolarHBondContact O-N 3.38Å; R131-L133 VanDerWaalsContact O-N 3.13Å |
| 132 | P | 60.7 | Low | 62.6 | Low | 115 Ų | 115 | 111.5 Ų | 111.5 | 75% | 0.747 | 61% | 0.612 | S | S | * | * | trans | -51.9 | 126.8 | 166.3 | 22.7 | -31.2 | 0 | 0 | 0 | 107.7 | R134 | P132-R134 PolarHBondContact O-N 3.42Š| ||
| 133 | L | 62.5 | Low | 64.6 | Low | 77 Ų | 77 | 108.4 Ų | 108.4 | 40% | 0.403 | 58% | 0.58 | S | S | . | * | trans | -44.7 | 109 | -174.5 | -140 | 87.8 | 0 | 0 | 0 | 108 | R131 I135 | R131-L133 PolarHBondContact O-N 3.38Å; R131-L133 VanDerWaalsContact O-N 3.13Å; L133-I135 PolarHBondContact O-N 2.94Å | ||
| 134 | R | 65.2 | Low | 66.8 | Low | 219 Ų | 219 | 103 Ų | 103 | 83% | 0.826 | 56% | 0.564 | S | S | * | * | trans | -72.4 | 84.1 | 174.6 | -69.9 | -179.3 | 85.2 | 167.3 | 4.1 | 105.3 | P132 T136 | P132-R134 PolarHBondContact O-N 3.42Å; R134-T136 PolarHBondContact O-N 2.81Å; R134-T136 VanDerWaalsContact O-N 3.15Å | ||
| 135 | I | 72.7 | Confident | 68.7 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 43% | 0.426 | 54% | 0.54 | S | S | . | . | trans | -49.2 | 119.4 | -179.9 | -77.2 | 157 | 0 | 0 | 0 | 108.7 | L133 F168 | L133-I135 PolarHBondContact O-N 2.94Å; I135-F168 HydrophobicContact CB-CE1 4.15Å; I135-F168 HydrophobicContact CB-CE2 4.41Å; I135-F168 HydrophobicContact CB-CZ 4.08Å; I135-F168 HydrophobicContact CD1-CD1 3.53Å; I135-F168 HydrophobicContact CD1-CE1 3.46Å; I135-F168 VanDerWaalsContact CD1-CE1 3.46Å; I135-F168 HydrophobicContact CD1-CG 4.35Å; I135-F168 HydrophobicContact CD1-CZ 4.26Å; I135-F168 HydrophobicContact CG1-CD1 4.13Å; I135-F168 HydrophobicContact CG1-CE1 3.59Å; I135-F168 HydrophobicContact CG1-CZ 3.94Å; I135-F168 HydrophobicContact CG2-CD1 3.85Å; I135-F168 HydrophobicContact CG2-CD2 3.46Å; I135-F168 VanDerWaalsContact CG2-CD2 3.46Å; I135-F168 HydrophobicContact CG2-CE1 3.46Å; I135-F168 VanDerWaalsContact CG2-CE1 3.46Å; I135-F168 HydrophobicContact CG2-CE2 3.03Å; I135-F168 HydrophobicContact CG2-CG 3.86Å; I135-F168 HydrophobicContact CG2-CZ 3.04Å | ||
| 136 | T | 75.9 | Confident | 70.7 | Confident | 37 Ų | 37 | 96.2 Ų | 96.2 | 23% | 0.227 | 51% | 0.511 | C | S | . | . | trans | -79 | 150.9 | 174.9 | 63.5 | 0 | 0 | 0 | 0 | 109.5 | R134 V141 L142 Q145 | R134-T136 PolarHBondContact O-N 2.81Å; R134-T136 VanDerWaalsContact O-N 3.15Å; T136-V141 HydrophobicContact CG2-CG1 3.86Å; T136-L142 PolarHBondContact OG1-N 2.79Å; T136-Q145 PolarHBondContact OG1-OE1 3.48Å | ||
| 137 | T | 79.5 | Confident | 72.4 | Confident | 148 Ų | 148 | 92.8 Ų | 92.8 | 91% | 0.908 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -90.5 | -10.2 | 175.3 | 51.2 | 0 | 0 | 0 | 0 | 113 | ||
| 138 | D | 84.1 | Confident | 74 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | trans | -78.1 | 119.7 | 176.5 | -176.1 | -18.8 | 0 | 0 | 0 | 109.3 | E140 V141 L142 | D138-E140 VanDerWaalsContact C-N 3.27Å; D138-E140 PolarHBondContact O-N 3.44Å; D138-E140 PolarHBondContact OD1-N 3.13Å; D138-V141 HydrophobicContact CB-CB 4.13Å; D138-V141 HydrophobicContact CB-CG2 4.04Å; D138-L142 WeakPolarHBondContact O-CB 3.45Å; D138-L142 PolarHBondContact O-N 2.77Å | ||
| 139 | P | 82.3 | Confident | 75.3 | Confident | 94 Ų | 94 | 89.6 Ų | 89.6 | 61% | 0.61 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.3 | -32.1 | -177.3 | 26 | -35.5 | 0 | 0 | 0 | 113.5 | A143 | P139-A143 WeakPolarHBondContact O-CB 3.49Å; P139-A143 PolarHBondContact O-N 3.47Å |
| 140 | E | 83.9 | Confident | 76.5 | Confident | 135 Ų | 135 | 90.5 Ų | 90.5 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -74.9 | -45.9 | -177 | -64.8 | -176.4 | -177.1 | 0 | 0 | 111.3 | D138 L142 A143 T144 | D138-E140 VanDerWaalsContact C-N 3.27Å; D138-E140 PolarHBondContact O-N 3.44Å; D138-E140 PolarHBondContact OD1-N 3.13Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-A143 PolarHBondContact O-N 3Å; E140-T144 WeakPolarHBondContact O-CB 3.37Å; E140-T144 PolarHBondContact O-N 2.79Å; E140-T144 PolarHBondContact O-OG1 2.86Å |
| 141 | V | 86.6 | Confident | 77.7 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 38% | 0.376 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 110 | T136 D138 A143 T144 Q145 | T136-V141 HydrophobicContact CG2-CG1 3.86Å; D138-V141 HydrophobicContact CB-CB 4.13Å; D138-V141 HydrophobicContact CB-CG2 4.04Å; V141-A143 PolarHBondContact O-N 3.25Å; V141-T144 PolarHBondContact O-N 3.13Å; V141-Q145 HydrophobicContact CG1-CG 4.36Å; V141-Q145 WeakPolarHBondContact O-CB 3.32Å; V141-Q145 VanDerWaalsContact O-CG 3.26Å; V141-Q145 WeakPolarHBondContact O-CG 3.21Å; V141-Q145 PolarHBondContact O-N 2.9Å |
| 142 | L | 84.3 | Confident | 78.6 | Confident | 6 Ų | 6 | 82.4 Ų | 82.4 | 3% | 0.031 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 178.5 | 175.2 | 59.9 | 0 | 0 | 0 | 112 | T136 D138 E140 T144 Q145 L146 I166 F168 | T136-L142 PolarHBondContact OG1-N 2.79Å; D138-L142 WeakPolarHBondContact O-CB 3.45Å; D138-L142 PolarHBondContact O-N 2.77Å; E140-L142 VanDerWaalsContact C-N 3.34Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.92Å; L142-Q145 PolarHBondContact O-N 3.34Å; L142-L146 HydrophobicContact CD1-CD1 4.14Å; L142-L146 HydrophobicContact CD1-CG 4.18Å; L142-L146 HydrophobicContact CG-CD1 4.15Å; L142-L146 WeakPolarHBondContact O-CB 3.45Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.05Å; L142-I166 HydrophobicContact CD2-CB 3.91Å; L142-I166 HydrophobicContact CD2-CD1 4.41Å; L142-I166 HydrophobicContact CD2-CG2 3.9Å; L142-F168 HydrophobicContact CD1-CE2 4.3Å; L142-F168 HydrophobicContact CD1-CZ 3.6Å; L142-F168 HydrophobicContact CD2-CE2 3.53Å; L142-F168 HydrophobicContact CD2-CZ 3.55Å; L142-F168 HydrophobicContact CG-CZ 4.21Å |
| 143 | A | 81.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 83 Ų | 83 | 3% | 0.025 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.1 | -34.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | P139 E140 V141 L146 N147 V158 Y159 | P139-A143 WeakPolarHBondContact O-CB 3.49Å; P139-A143 PolarHBondContact O-N 3.47Å; E140-A143 PolarHBondContact O-N 3Å; V141-A143 PolarHBondContact O-N 3.25Å; A143-L146 PolarHBondContact O-N 2.87Å; A143-N147 WeakPolarHBondContact O-CB 3.21Å; A143-N147 PolarHBondContact O-N 3.48Å; A143-N147 PolarHBondContact O-ND2 2.85Å; A143-V158 HydrophobicContact CB-CG1 4.11Å; A143-Y159 HydrophobicContact CB-CE1 3.51Å; A143-Y159 HydrophobicContact CB-CE2 4.02Å; A143-Y159 WeakPolarHBondContact CB-OH 3.2Å |
| 144 | T | 84.4 | Confident | 79.7 | Confident | 89 Ų | 89 | 86 Ų | 86 | 55% | 0.546 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 170.8 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | E140 V141 L142 L146 N147 S148 Y159 | E140-T144 WeakPolarHBondContact O-CB 3.37Å; E140-T144 PolarHBondContact O-N 2.79Å; E140-T144 PolarHBondContact O-OG1 2.86Å; V141-T144 PolarHBondContact O-N 3.13Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.92Å; T144-L146 VanDerWaalsContact C-N 3.3Å; T144-L146 PolarHBondContact O-N 3.16Å; T144-N147 PolarHBondContact O-N 2.98Å; T144-S148 PolarHBondContact O-N 3.01Å; T144-Y159 PolarHBondContact N-OH 3.22Å |
| 145 | Q | 85.8 | Confident | 79.7 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 24% | 0.238 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 176.6 | -76.2 | 175.9 | -32.5 | 0 | 0 | 111.5 | T136 V141 L142 S148 | T136-Q145 PolarHBondContact OG1-OE1 3.48Å; V141-Q145 HydrophobicContact CG1-CG 4.36Å; V141-Q145 WeakPolarHBondContact O-CB 3.32Å; V141-Q145 VanDerWaalsContact O-CG 3.26Å; V141-Q145 WeakPolarHBondContact O-CG 3.21Å; V141-Q145 PolarHBondContact O-N 2.9Å; L142-Q145 PolarHBondContact O-N 3.34Å; Q145-S148 PolarHBondContact O-N 3.43Å; Q145-S148 PolarHBondContact O-OG 2.9Å |
| 146 | L | 83.8 | Confident | 79.6 | Confident | 38 Ų | 38 | 77.7 Ų | 77.7 | 20% | 0.199 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.9 | -74.9 | 177.4 | 0 | 0 | 0 | 112.5 | L142 A143 T144 S148 L149 L152 I166 | L142-L146 HydrophobicContact CD1-CD1 4.14Å; L142-L146 HydrophobicContact CD1-CG 4.18Å; L142-L146 HydrophobicContact CG-CD1 4.15Å; L142-L146 WeakPolarHBondContact O-CB 3.45Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.05Å; A143-L146 PolarHBondContact O-N 2.87Å; T144-L146 VanDerWaalsContact C-N 3.3Å; T144-L146 PolarHBondContact O-N 3.16Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.49Å; L146-L149 HydrophobicContact CD2-CD1 4.21Å; L146-L149 WeakPolarHBondContact O-CB 3.42Å; L146-L149 PolarHBondContact O-N 3.21Å; L146-L149 VanDerWaalsContact O-N 3.14Å; L146-L152 HydrophobicContact CB-CD2 3.49Å; L146-L152 VanDerWaalsContact CB-CD2 3.49Å; L146-L152 HydrophobicContact CD2-CD2 3.77Å; L146-L152 HydrophobicContact CG-CD2 4.1Å; L146-L152 VanDerWaalsContact O-CD2 3.25Å; L146-L152 WeakPolarHBondContact O-CD2 3.45Å; L146-I166 HydrophobicContact CD1-CD1 3.45Å; L146-I166 VanDerWaalsContact CD1-CD1 3.45Å |
| 147 | N | 82.9 | Confident | 79.2 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -25.1 | 179.3 | -68.4 | -27.8 | 0 | 0 | 0 | 113.6 | A143 T144 L149 Y154 Y159 | A143-N147 WeakPolarHBondContact O-CB 3.21Å; A143-N147 PolarHBondContact O-N 3.48Å; A143-N147 PolarHBondContact O-ND2 2.85Å; T144-N147 PolarHBondContact O-N 2.98Å; N147-L149 PolarHBondContact O-N 3.37Å; N147-Y154 HydrophobicContact CB-CD2 4.28Å; N147-Y154 VanDerWaalsContact ND2-CD2 3.26Å; N147-Y154 WeakPolarHBondContact ND2-CD2 3.23Å; N147-Y154 VanDerWaalsContact ND2-CE2 3.28Å; N147-Y154 WeakPolarHBondContact ND2-CE2 3.41Å; N147-Y154 VanDerWaalsContact OD1-CD2 3.31Å; N147-Y154 WeakPolarHBondContact OD1-CD2 3.47Å; N147-Y159 PolarHBondContact ND2-OH 2.7Å; N147-Y159 VanDerWaalsContact ND2-OH 3.09Å |
| 148 | S | 82.2 | Confident | 78.7 | Confident | 75 Ų | 75 | 77 Ų | 77 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -11.8 | 174.4 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | T144 Q145 L146 | T144-S148 PolarHBondContact O-N 3.01Å; Q145-S148 PolarHBondContact O-N 3.43Å; Q145-S148 PolarHBondContact O-OG 2.9Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.49Å |
| 149 | L | 80.6 | Confident | 77.9 | Confident | 71 Ų | 71 | 78.2 Ų | 78.2 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -81.2 | 123.5 | -179.4 | -62.8 | 177 | 0 | 0 | 0 | 111.1 | L146 N147 G151 L152 | L146-L149 HydrophobicContact CD2-CD1 4.21Å; L146-L149 WeakPolarHBondContact O-CB 3.42Å; L146-L149 PolarHBondContact O-N 3.21Å; L146-L149 VanDerWaalsContact O-N 3.14Å; N147-L149 PolarHBondContact O-N 3.37Å; L149-G151 PolarHBondContact O-N 2.95Å; L149-L152 HydrophobicContact CB-CB 4.2Å; L149-L152 PolarHBondContact O-N 3.36Å |
| 150 | P | 79.8 | Confident | 77.3 | Confident | 130 Ų | 130 | 78 Ų | 78 | 84% | 0.844 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 135.2 | 172.8 | 27.1 | -32.8 | 0 | 0 | 0 | 110 | L152 | P150-L152 VanDerWaalsContact C-N 3.33Š|
| 151 | G | 75.3 | Confident | 76.3 | Confident | 86 Ų | 86 | 73 Ų | 73 | 89% | 0.887 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -6.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L149 | L149-G151 PolarHBondContact O-N 2.95Š|
| 152 | L | 76.3 | Confident | 75.1 | Confident | 84 Ų | 84 | 76.9 Ų | 76.9 | 44% | 0.44 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -95.1 | 117.3 | 166 | -157.1 | 85.5 | 0 | 0 | 0 | 108.9 | L146 L149 P150 | L146-L152 HydrophobicContact CB-CD2 3.49Å; L146-L152 VanDerWaalsContact CB-CD2 3.49Å; L146-L152 HydrophobicContact CD2-CD2 3.77Å; L146-L152 HydrophobicContact CG-CD2 4.1Å; L146-L152 VanDerWaalsContact O-CD2 3.25Å; L146-L152 WeakPolarHBondContact O-CD2 3.45Å; L149-L152 HydrophobicContact CB-CB 4.2Å; L149-L152 PolarHBondContact O-N 3.36Å; P150-L152 VanDerWaalsContact C-N 3.33Å |
| 153 | T | 72.8 | Confident | 74.1 | Confident | 127 Ų | 127 | 85.3 Ų | 85.3 | 78% | 0.779 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -74 | 132.8 | -179 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | S155 | T153-S155 PolarHBondContact O-N 2.93Å; T153-S155 VanDerWaalsContact O-N 3.11Å |
| 154 | Y | 73 | Confident | 73.4 | Confident | 141 Ų | 141 | 90.6 Ų | 90.6 | 55% | 0.553 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 116.2 | 172.9 | 178.1 | -97.9 | 0 | 0 | 0 | 109.2 | N147 P156 Y159 | N147-Y154 HydrophobicContact CB-CD2 4.28Å; N147-Y154 VanDerWaalsContact ND2-CD2 3.26Å; N147-Y154 WeakPolarHBondContact ND2-CD2 3.23Å; N147-Y154 VanDerWaalsContact ND2-CE2 3.28Å; N147-Y154 WeakPolarHBondContact ND2-CE2 3.41Å; N147-Y154 VanDerWaalsContact OD1-CD2 3.31Å; N147-Y154 WeakPolarHBondContact OD1-CD2 3.47Å; Y154-P156 HydrophobicContact CD1-CB 4.43Å; Y154-P156 HydrophobicContact CD1-CG 3.95Å; Y154-P156 HydrophobicContact CE1-CB 3.68Å; Y154-P156 HydrophobicContact CE1-CG 3.64Å; Y154-P156 WeakPolarHBondContact O-CD 3.28Å; Y154-Y159 AromaticContact CE2-CE2 3.91Å; Y154-Y159 HydrophobicContact CE2-CE2 3.91Å |
| 155 | S | 65.7 | Low | 72.7 | Confident | 57 Ų | 57 | 93.6 Ų | 93.6 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | trans | -108.8 | 100.1 | 175 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | T153 H157 V158 | T153-S155 PolarHBondContact O-N 2.93Å; T153-S155 VanDerWaalsContact O-N 3.11Å; S155-H157 PolarHBondContact O-N 3.17Å; S155-V158 WeakPolarHBondContact O-CG2 3.39Å; S155-V158 PolarHBondContact O-N 3.31Å | ||
| 156 | P | 69.9 | Low | 72.1 | Confident | 70 Ų | 70 | 94.2 Ų | 94.2 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.8 | -179.2 | 0.4 | 0.9 | 0 | 0 | 0 | 113.1 | Y154 V158 Y159 S160 | Y154-P156 HydrophobicContact CD1-CB 4.43Å; Y154-P156 HydrophobicContact CD1-CG 3.95Å; Y154-P156 HydrophobicContact CE1-CB 3.68Å; Y154-P156 HydrophobicContact CE1-CG 3.64Å; Y154-P156 WeakPolarHBondContact O-CD 3.28Å; P156-V158 PolarHBondContact O-N 3.26Å; P156-Y159 PolarHBondContact O-N 2.97Å; P156-S160 PolarHBondContact O-N 3.34Å; P156-S160 VanDerWaalsContact O-N 3.17Å |
| 157 | H | 67.9 | Low | 71.7 | Confident | 117 Ų | 117 | 100.2 Ų | 100.2 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -25.6 | 177.8 | -94.5 | 74.8 | 0 | 0 | 0 | 113.5 | S155 Y159 T161 | S155-H157 PolarHBondContact O-N 3.17Å; H157-Y159 VanDerWaalsContact C-N 3.25Å; H157-Y159 PolarHBondContact O-N 2.92Å; H157-T161 PolarHBondContact O-N 2.94Å; H157-T161 PolarHBondContact O-OG1 3.42Å |
| 158 | V | 69.5 | Low | 70.9 | Confident | 52 Ų | 52 | 102.7 Ų | 102.7 | 32% | 0.315 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -33.6 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | A143 S155 P156 I166 | A143-V158 HydrophobicContact CB-CG1 4.11Å; S155-V158 WeakPolarHBondContact O-CG2 3.39Å; S155-V158 PolarHBondContact O-N 3.31Å; P156-V158 PolarHBondContact O-N 3.26Å; V158-I166 HydrophobicContact CG1-CD1 3.72Å; V158-I166 HydrophobicContact CG1-CG1 3.91Å; V158-I166 HydrophobicContact CG2-CD1 4.31Å |
| 159 | Y | 67.3 | Low | 70.3 | Confident | 101 Ų | 101 | 104.3 Ų | 104.3 | 40% | 0.396 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -93.3 | -32.5 | -179.5 | -59.3 | -80.5 | 0 | 0 | 0 | 112.7 | A143 T144 N147 Y154 P156 H157 | A143-Y159 HydrophobicContact CB-CE1 3.51Å; A143-Y159 HydrophobicContact CB-CE2 4.02Å; A143-Y159 WeakPolarHBondContact CB-OH 3.2Å; T144-Y159 PolarHBondContact N-OH 3.22Å; N147-Y159 PolarHBondContact ND2-OH 2.7Å; N147-Y159 VanDerWaalsContact ND2-OH 3.09Å; Y154-Y159 AromaticContact CE2-CE2 3.91Å; Y154-Y159 HydrophobicContact CE2-CE2 3.91Å; P156-Y159 PolarHBondContact O-N 2.97Å; H157-Y159 VanDerWaalsContact C-N 3.25Å; H157-Y159 PolarHBondContact O-N 2.92Å |
| 160 | S | 70 | Confident | 69.4 | Low | 89 Ų | 89 | 103.6 Ų | 103.6 | 62% | 0.622 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.9 | -25 | -172.3 | 170 | 0 | 0 | 0 | 0 | 113.7 | P156 | P156-S160 PolarHBondContact O-N 3.34Å; P156-S160 VanDerWaalsContact O-N 3.17Å |
| 161 | T | 62.3 | Low | 68.8 | Low | 31 Ų | 31 | 103.2 Ų | 103.2 | 19% | 0.19 | 56% | 0.557 | C | S | . | * | trans | -119.8 | 113.1 | -165.3 | 60 | 0 | 0 | 0 | 0 | 112.2 | H157 K163 H164 | H157-T161 PolarHBondContact O-N 2.94Å; H157-T161 PolarHBondContact O-OG1 3.42Å; T161-K163 PolarHBondContact O-N 2.76Å; T161-H164 WeakPolarHBondContact CB-ND1 3.5Å; T161-H164 PolarHBondContact O-N 3.15Å; T161-H164 VanDerWaalsContact O-N 3.14Å; T161-H164 WeakPolarHBondContact OG1-CB 3.4Å; T161-H164 PolarHBondContact OG1-ND1 3.48Å | ||
| 162 | P | 62.7 | Low | 67.8 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 92% | 0.922 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -10.4 | -175 | -24.8 | 32.2 | 0 | 0 | 0 | 115.9 | ||
| 163 | K | 62.9 | Low | 67.1 | Low | 184 Ų | 184 | 109.3 Ų | 109.3 | 80% | 0.8 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -9.2 | -177.6 | -78.5 | 180 | 177.7 | 173.1 | 0 | 114.6 | T161 Y165 | T161-K163 PolarHBondContact O-N 2.76Å; K163-Y165 WeakPolarHBondContact O-CD1 3.49Å; K163-Y165 PolarHBondContact O-N 3.28Å |
| 164 | H | 65.9 | Low | 66.1 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 52% | 0.523 | 55% | 0.548 | S | S | . | . | trans | -102.8 | 56.6 | -173.6 | -58.8 | 77.4 | 0 | 0 | 0 | 111 | T161 | T161-H164 WeakPolarHBondContact CB-ND1 3.5Å; T161-H164 PolarHBondContact O-N 3.15Å; T161-H164 VanDerWaalsContact O-N 3.14Å; T161-H164 WeakPolarHBondContact OG1-CB 3.4Å; T161-H164 PolarHBondContact OG1-ND1 3.48Å | ||
| 165 | Y | 70.8 | Confident | 65.3 | Low | 152 Ų | 152 | 108.7 Ų | 108.7 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | trans | -63.9 | 136.2 | 172.5 | 60.3 | -75.8 | 0 | 0 | 0 | 110.1 | K163 R167 | K163-Y165 WeakPolarHBondContact O-CD1 3.49Å; K163-Y165 PolarHBondContact O-N 3.28Å; Y165-R167 HydrophobicContact CD2-CG 3.23Å; Y165-R167 HydrophobicContact CE2-CB 4.49Å; Y165-R167 HydrophobicContact CE2-CG 3.02Å; Y165-R167 HydrophobicContact CG-CG 4.25Å; Y165-R167 VanDerWaalsContact CZ-CD 3.44Å; Y165-R167 PolarHBondContact O-N 3.05Å; Y165-R167 WeakPolarHBondContact OH-CD 3.26Å; Y165-R167 PolarHBondContact OH-NE 3.48Å; Y165-R167 PolarHBondContact OH-NH1 3.04Å | ||
| 166 | I | 73.1 | Confident | 64.9 | Low | 64 Ų | 64 | 114.9 Ų | 114.9 | 33% | 0.328 | 58% | 0.581 | S | S | . | * | trans | -70.1 | 122.8 | 171.5 | -59 | -173.3 | 0 | 0 | 0 | 107.8 | L142 L146 V158 | L142-I166 HydrophobicContact CD2-CB 3.91Å; L142-I166 HydrophobicContact CD2-CD1 4.41Å; L142-I166 HydrophobicContact CD2-CG2 3.9Å; L146-I166 HydrophobicContact CD1-CD1 3.45Å; L146-I166 VanDerWaalsContact CD1-CD1 3.45Å; V158-I166 HydrophobicContact CG1-CD1 3.72Å; V158-I166 HydrophobicContact CG1-CG1 3.91Å; V158-I166 HydrophobicContact CG2-CD1 4.31Å | ||
| 167 | R | 74.6 | Confident | 64.4 | Low | 164 Ų | 164 | 121.2 Ų | 121.2 | 62% | 0.619 | 60% | 0.602 | S | S | * | * | trans | -108.9 | 123.6 | -179.8 | -66.5 | 176.8 | 80.5 | -179.8 | -1.3 | 109.9 | Y165 T169 | Y165-R167 HydrophobicContact CD2-CG 3.23Å; Y165-R167 HydrophobicContact CE2-CB 4.49Å; Y165-R167 HydrophobicContact CE2-CG 3.02Å; Y165-R167 HydrophobicContact CG-CG 4.25Å; Y165-R167 VanDerWaalsContact CZ-CD 3.44Å; Y165-R167 PolarHBondContact O-N 3.05Å; Y165-R167 WeakPolarHBondContact OH-CD 3.26Å; Y165-R167 PolarHBondContact OH-NE 3.48Å; Y165-R167 PolarHBondContact OH-NH1 3.04Å; R167-T169 PolarHBondContact O-N 2.77Å | ||
| 168 | F | 66.4 | Low | 63.9 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 47% | 0.465 | 61% | 0.608 | S | S | . | * | trans | -72.2 | 99.3 | 162.7 | -63.3 | -73.9 | 0 | 0 | 0 | 108.7 | I135 L142 S170 | I135-F168 HydrophobicContact CB-CE1 4.15Å; I135-F168 HydrophobicContact CB-CE2 4.41Å; I135-F168 HydrophobicContact CB-CZ 4.08Å; I135-F168 HydrophobicContact CD1-CD1 3.53Å; I135-F168 HydrophobicContact CD1-CE1 3.46Å; I135-F168 VanDerWaalsContact CD1-CE1 3.46Å; I135-F168 HydrophobicContact CD1-CG 4.35Å; I135-F168 HydrophobicContact CD1-CZ 4.26Å; I135-F168 HydrophobicContact CG1-CD1 4.13Å; I135-F168 HydrophobicContact CG1-CE1 3.59Å; I135-F168 HydrophobicContact CG1-CZ 3.94Å; I135-F168 HydrophobicContact CG2-CD1 3.85Å; I135-F168 HydrophobicContact CG2-CD2 3.46Å; I135-F168 VanDerWaalsContact CG2-CD2 3.46Å; I135-F168 HydrophobicContact CG2-CE1 3.46Å; I135-F168 VanDerWaalsContact CG2-CE1 3.46Å; I135-F168 HydrophobicContact CG2-CE2 3.03Å; I135-F168 HydrophobicContact CG2-CG 3.86Å; I135-F168 HydrophobicContact CG2-CZ 3.04Å; L142-F168 HydrophobicContact CD1-CE2 4.3Å; L142-F168 HydrophobicContact CD1-CZ 3.6Å; L142-F168 HydrophobicContact CD2-CE2 3.53Å; L142-F168 HydrophobicContact CD2-CZ 3.55Å; L142-F168 HydrophobicContact CG-CZ 4.21Å; F168-S170 PolarHBondContact O-N 3.48Å | ||
| 169 | T | 70 | Confident | 63 | Low | 110 Ų | 110 | 129 Ų | 129 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | trans | -71.1 | 112.2 | 167.6 | 54.1 | 0 | 0 | 0 | 0 | 107.3 | R167 | R167-T169 PolarHBondContact O-N 2.77Š| ||
| 170 | S | 61.8 | Low | 62.5 | Low | 55 Ų | 55 | 134.8 Ų | 134.8 | 39% | 0.385 | 65% | 0.648 | S | S | . | * | trans | -56.9 | 135.7 | 167.3 | 168.9 | 0 | 0 | 0 | 0 | 108.6 | F168 F172 L173 | F168-S170 PolarHBondContact O-N 3.48Å; S170-F172 PolarHBondContact O-N 3.02Å; S170-F172 PolarHBondContact OG-N 3.02Å; S170-L173 PolarHBondContact O-N 3.09Å | ||
| 171 | P | 66.7 | Low | 61.4 | Low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -10.1 | 176.6 | 24.3 | -32.9 | 0 | 0 | 0 | 112.8 | ||
| 172 | F | 54.7 | Low | 60.6 | Low | 183 Ų | 183 | 140.5 Ų | 140.5 | 80% | 0.803 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -0.2 | 177.7 | -57.9 | -74.2 | 0 | 0 | 0 | 114.3 | S170 S174 | S170-F172 PolarHBondContact O-N 3.02Å; S170-F172 PolarHBondContact OG-N 3.02Å; F172-S174 PolarHBondContact O-N 3.19Å |
| 173 | L | 60.7 | Low | 59.8 | Low | 115 Ų | 115 | 139.6 Ų | 139.6 | 60% | 0.602 | 66% | 0.663 | S | S | * | * | trans | -76 | 89.8 | 170.3 | -70.8 | 171.8 | 0 | 0 | 0 | 108.9 | S170 E175 | S170-L173 PolarHBondContact O-N 3.09Å; L173-E175 PolarHBondContact O-N 2.86Å | ||
| 174 | S | 53.3 | Low | 59.4 | Low | 73 Ų | 73 | 136.8 Ų | 136.8 | 51% | 0.51 | 65% | 0.652 | S | S | . | * | trans | -53.9 | 131.3 | 174.2 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | F172 K176 | F172-S174 PolarHBondContact O-N 3.19Å; S174-K176 PolarHBondContact O-N 3.42Å; S174-K176 VanDerWaalsContact OG-CD 3.32Å; S174-K176 WeakPolarHBondContact OG-CD 3.31Å; S174-K176 VanDerWaalsContact OG-CE 3.27Å; S174-K176 WeakPolarHBondContact OG-CE 3.43Å; S174-K176 WeakPolarHBondContact OG-CG 3.49Å | ||
| 175 | E | 55.6 | Low | 58.8 | Low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | trans | -62.5 | 45.6 | 177.6 | -61.2 | -168.3 | 134.9 | 0 | 0 | 114.5 | L173 K177 | L173-E175 PolarHBondContact O-N 2.86Å; E175-K177 PolarHBondContact O-N 3.05Å | ||
| 176 | K | 57.5 | Low | 58.1 | Low | 187 Ų | 187 | 137.9 Ų | 137.9 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 10.3 | -169.7 | -78.1 | -176.4 | 176.9 | -178.1 | 0 | 115.2 | S174 | S174-K176 PolarHBondContact O-N 3.42Å; S174-K176 VanDerWaalsContact OG-CD 3.32Å; S174-K176 WeakPolarHBondContact OG-CD 3.31Å; S174-K176 VanDerWaalsContact OG-CE 3.27Å; S174-K176 WeakPolarHBondContact OG-CE 3.43Å; S174-K176 WeakPolarHBondContact OG-CG 3.49Å |
| 177 | K | 58.4 | Low | 57.4 | Low | 203 Ų | 203 | 140.9 Ų | 140.9 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.3 | 47.1 | 178.7 | -155.3 | -173.4 | 173.7 | -178 | 0 | 113.6 | E175 | E175-K177 PolarHBondContact O-N 3.05Š|
| 178 | R | 57.5 | Low | 57.1 | Low | 177 Ų | 177 | 135 Ų | 135 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -157.3 | 126.3 | 148.4 | -133.1 | 174.7 | 54.9 | 90.2 | 7.4 | 113.2 | ||
| 179 | R | 51.9 | Low | 57.8 | Low | 156 Ų | 156 | 133.9 Ų | 133.9 | 59% | 0.589 | 69% | 0.693 | S | S | * | * | trans | 78.8 | 117.4 | 175.4 | -60.6 | -157.7 | 174.3 | 128.4 | -2 | 116.6 | E181 | R179-E181 PolarHBondContact O-N 3.37Å; R179-E181 VanDerWaalsContact O-N 3.15Å | ||
| 180 | K | 56.2 | Low | 58.2 | Low | 221 Ų | 221 | 133.8 Ų | 133.8 | 96% | 0.961 | 70% | 0.696 | S | S | * | * | trans | -63.3 | 99.9 | 154 | -78.6 | 170.6 | 171.5 | 176.7 | 0 | 106 | ||||
| 181 | E | 46.9 | Very low | 59.4 | Low | 126 Ų | 126 | 138.1 Ų | 138.1 | 59% | 0.589 | 71% | 0.708 | S | S | * | * | trans | -105.5 | 135.1 | 163.6 | -160.6 | 101 | -128.9 | 0 | 0 | 106.8 | R179 T183 | R179-E181 PolarHBondContact O-N 3.37Å; R179-E181 VanDerWaalsContact O-N 3.15Å; E181-T183 PolarHBondContact O-N 3.29Å | ||
| 182 | T | 44.3 | Very low | 60.4 | Low | 115 Ų | 115 | 139.5 Ų | 139.5 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | -53.2 | 130.5 | -167.4 | 34.7 | 0 | 0 | 0 | 0 | 113.2 | E184 | T182-E184 PolarHBondContact O-N 3.41Š| ||
| 183 | T | 45.9 | Very low | 61.9 | Low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | trans | -62.1 | 73.8 | 169.1 | -53.6 | 0 | 0 | 0 | 0 | 110 | E181 I186 | E181-T183 PolarHBondContact O-N 3.29Å; T183-I186 HydrophobicContact CG2-CD1 4.33Å | ||
| 184 | E | 54.8 | Low | 63.2 | Low | 124 Ų | 124 | 141.2 Ų | 141.2 | 58% | 0.579 | 69% | 0.694 | S | S | * | * | trans | -126.6 | 91.8 | 176.1 | -68.8 | -72.1 | 162.3 | 0 | 0 | 107.6 | T182 | T182-E184 PolarHBondContact O-N 3.41Š| ||
| 185 | N | 53.1 | Low | 64.9 | Low | 128 Ų | 128 | 141.9 Ų | 141.9 | 68% | 0.684 | 69% | 0.692 | S | S | * | * | trans | 86.6 | 73.8 | 156.4 | -46.1 | -68 | 0 | 0 | 0 | 117.1 | S187 | N185-S187 PolarHBondContact O-N 3.45Š| ||
| 186 | I | 55.8 | Low | 66.4 | Low | 160 Ų | 160 | 139 Ų | 139 | 82% | 0.821 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -71 | -7.1 | 168.9 | -58.3 | 119.6 | 0 | 0 | 0 | 112.5 | T183 G188 | T183-I186 HydrophobicContact CG2-CD1 4.33Å; I186-G188 PolarHBondContact O-N 3.24Å |
| 187 | S | 59.8 | Low | 67.6 | Low | 127 Ų | 127 | 135.5 Ų | 135.5 | 89% | 0.888 | 66% | 0.663 | S | S | * | * | trans | -93 | 60.2 | 179.8 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | N185 | N185-S187 PolarHBondContact O-N 3.45Š| ||
| 188 | G | 67.8 | Low | 68.7 | Low | 41 Ų | 41 | 128 Ų | 128 | 42% | 0.423 | 64% | 0.639 | S | S | . | * | trans | -131.4 | 145.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | I186 | I186-G188 PolarHBondContact O-N 3.24Š| ||
| 189 | S | 80.3 | Confident | 69.9 | Low | 82 Ų | 82 | 124.8 Ų | 124.8 | 57% | 0.573 | 63% | 0.634 | S | S | * | * | trans | -57.9 | 144.2 | 170.5 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | K191 K192 R193 | S189-K191 PolarHBondContact O-N 3.48Å; S189-K191 PolarHBondContact OG-N 3.49Å; S189-K192 WeakPolarHBondContact O-CA 3.4Å; S189-K192 WeakPolarHBondContact O-CB 3.41Å; S189-K192 PolarHBondContact O-N 2.94Å; S189-R193 PolarHBondContact O-N 3.29Å; S189-R193 VanDerWaalsContact O-N 3.09Å | ||
| 190 | C | 79.2 | Confident | 71 | Confident | 109 Ų | 109 | 120.7 Ų | 120.7 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -47.2 | -38.8 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | K192 R193 W194 | C190-K192 PolarHBondContact O-N 3.43Å; C190-R193 PolarHBondContact O-N 3.35Å; C190-W194 VanDerWaalsContact O-CD1 3.29Å; C190-W194 PolarHBondContact O-N 3.21Å |
| 191 | K | 86.8 | Confident | 71.6 | Confident | 145 Ų | 145 | 116 Ų | 116 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59 | -44.9 | 176.6 | -165.4 | 178.9 | 179.4 | 178.6 | 0 | 113 | S189 R193 W194 L195 | S189-K191 PolarHBondContact O-N 3.48Å; S189-K191 PolarHBondContact OG-N 3.49Å; K191-R193 VanDerWaalsContact C-N 3.28Å; K191-R193 PolarHBondContact O-N 3.39Å; K191-W194 VanDerWaalsContact C-CD1 3.46Å; K191-W194 VanDerWaalsContact CA-NE1 3.32Å; K191-W194 VanDerWaalsContact CG-NE1 3.34Å; K191-W194 PolarHBondContact O-NE1 3.16Å; K191-L195 WeakPolarHBondContact O-CB 3.46Å; K191-L195 PolarHBondContact O-N 3.44Å |
| 192 | K | 87.9 | Confident | 72.5 | Confident | 153 Ų | 153 | 116.4 Ų | 116.4 | 67% | 0.665 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -34.2 | -179.4 | -168.3 | -179.3 | 176.6 | -178.8 | 0 | 110.7 | S189 C190 K196 | S189-K192 WeakPolarHBondContact O-CA 3.4Å; S189-K192 WeakPolarHBondContact O-CB 3.41Å; S189-K192 PolarHBondContact O-N 2.94Å; C190-K192 PolarHBondContact O-N 3.43Å; K192-K196 VanDerWaalsContact O-CB 3.31Å; K192-K196 WeakPolarHBondContact O-CB 3.31Å; K192-K196 PolarHBondContact O-N 3.11Å |
| 193 | R | 86.8 | Confident | 73.3 | Confident | 185 Ų | 185 | 116 Ų | 116 | 70% | 0.698 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.5 | -46.3 | -178.9 | -165.3 | 173.4 | 170.6 | -143.2 | -6 | 112.7 | S189 C190 K191 L195 K196 Q197 | S189-R193 PolarHBondContact O-N 3.29Å; S189-R193 VanDerWaalsContact O-N 3.09Å; C190-R193 PolarHBondContact O-N 3.35Å; K191-R193 VanDerWaalsContact C-N 3.28Å; K191-R193 PolarHBondContact O-N 3.39Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.99Å; R193-K196 PolarHBondContact O-N 3.49Å; R193-Q197 VanDerWaalsContact O-CB 3.31Å; R193-Q197 WeakPolarHBondContact O-CB 3.27Å; R193-Q197 PolarHBondContact O-N 3.35Å |
| 194 | W | 87.7 | Confident | 73.9 | Confident | 148 Ų | 148 | 112.9 Ų | 112.9 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66 | -37.7 | 177.2 | 78.1 | -91.1 | 0 | 0 | 0 | 111.9 | C190 K191 Q197 A198 | C190-W194 VanDerWaalsContact O-CD1 3.29Å; C190-W194 PolarHBondContact O-N 3.21Å; K191-W194 VanDerWaalsContact C-CD1 3.46Å; K191-W194 VanDerWaalsContact CA-NE1 3.32Å; K191-W194 VanDerWaalsContact CG-NE1 3.34Å; K191-W194 PolarHBondContact O-NE1 3.16Å; W194-Q197 PolarHBondContact O-N 2.95Å; W194-A198 WeakPolarHBondContact O-CB 3.32Å; W194-A198 PolarHBondContact O-N 3.11Å |
| 195 | L | 89.4 | Confident | 74 | Confident | 88 Ų | 88 | 110.8 Ų | 110.8 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.4 | -41.6 | 178 | -173.8 | 63.7 | 0 | 0 | 0 | 111.8 | K191 R193 Q197 A198 L199 | K191-L195 WeakPolarHBondContact O-CB 3.46Å; K191-L195 PolarHBondContact O-N 3.44Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.99Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; L195-A198 PolarHBondContact O-N 3.2Å; L195-L199 WeakPolarHBondContact O-CG 3.32Å; L195-L199 PolarHBondContact O-N 3.11Å |
| 196 | K | 86.8 | Confident | 74.2 | Confident | 120 Ų | 120 | 109.6 Ų | 109.6 | 52% | 0.522 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.7 | -44.1 | 174.2 | -168.4 | -165.8 | 178.8 | -158.9 | 0 | 110.8 | K192 R193 L199 E200 | K192-K196 VanDerWaalsContact O-CB 3.31Å; K192-K196 WeakPolarHBondContact O-CB 3.31Å; K192-K196 PolarHBondContact O-N 3.11Å; R193-K196 PolarHBondContact O-N 3.49Å; K196-L199 PolarHBondContact O-N 3.31Å; K196-E200 WeakPolarHBondContact O-CB 3.39Å; K196-E200 PolarHBondContact O-N 3.1Å |
| 197 | Q | 82.9 | Confident | 74.1 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.8 | -43.6 | -179.8 | -172.5 | 176.7 | -35.3 | 0 | 0 | 112 | R193 W194 L195 L199 E200 E201 | R193-Q197 VanDerWaalsContact O-CB 3.31Å; R193-Q197 WeakPolarHBondContact O-CB 3.27Å; R193-Q197 PolarHBondContact O-N 3.35Å; W194-Q197 PolarHBondContact O-N 2.95Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; Q197-L199 VanDerWaalsContact C-N 3.28Å; Q197-L199 PolarHBondContact O-N 2.95Å; Q197-E200 PolarHBondContact O-N 2.78Å; Q197-E201 PolarHBondContact O-N 2.99Å |
| 198 | A | 81.6 | Confident | 73.7 | Confident | 45 Ų | 45 | 107.5 Ų | 107.5 | 37% | 0.372 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W194 L195 | W194-A198 WeakPolarHBondContact O-CB 3.32Å; W194-A198 PolarHBondContact O-N 3.11Å; L195-A198 PolarHBondContact O-N 3.2Å |
| 199 | L | 82 | Confident | 72.8 | Confident | 110 Ų | 110 | 115.7 Ų | 115.7 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.6 | -35.5 | 176.1 | -70.5 | 170.6 | 0 | 0 | 0 | 112.7 | L195 K196 Q197 N203 | L195-L199 WeakPolarHBondContact O-CG 3.32Å; L195-L199 PolarHBondContact O-N 3.11Å; K196-L199 PolarHBondContact O-N 3.31Å; Q197-L199 VanDerWaalsContact C-N 3.28Å; Q197-L199 PolarHBondContact O-N 2.95Å; L199-N203 PolarHBondContact O-ND2 3.23Å |
| 200 | E | 76.1 | Confident | 71.3 | Confident | 71 Ų | 71 | 120.7 Ų | 120.7 | 33% | 0.332 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.1 | -30.6 | -179.2 | -175.6 | 167.2 | -144.5 | 0 | 0 | 112.8 | K196 Q197 N203 S204 | K196-E200 WeakPolarHBondContact O-CB 3.39Å; K196-E200 PolarHBondContact O-N 3.1Å; Q197-E200 PolarHBondContact O-N 2.78Å; E200-N203 PolarHBondContact O-N 3.04Å; E200-S204 VanDerWaalsContact O-CB 3.28Å; E200-S204 WeakPolarHBondContact O-CB 3.47Å; E200-S204 PolarHBondContact O-N 3.49Å; E200-S204 PolarHBondContact O-OG 3.19Å |
| 201 | E | 68.7 | Low | 69.7 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.2 | -41.3 | 176.4 | -170 | 168.2 | -179.1 | 0 | 0 | 111.9 | Q197 N203 S204 T205 | Q197-E201 PolarHBondContact O-N 2.99Å; E201-N203 PolarHBondContact O-N 3.12Å; E201-S204 PolarHBondContact O-N 3.3Å; E201-T205 WeakPolarHBondContact O-CG2 2.85Å; E201-T205 PolarHBondContact O-N 3.45Å; E201-T205 VanDerWaalsContact O-N 3.13Å; E201-T205 PolarHBondContact O-OG1 2.82Å |
| 202 | E | 64.9 | Low | 67.5 | Low | 134 Ų | 134 | 119.7 Ų | 119.7 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.6 | -36 | 174 | -65 | -63.1 | 146.2 | 0 | 0 | 112.5 | T205 I206 | E202-T205 PolarHBondContact O-OG1 3Å; E202-I206 WeakPolarHBondContact O-CD1 3.47Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å |
| 203 | N | 60.4 | Low | 65.3 | Low | 108 Ų | 108 | 118.2 Ų | 118.2 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.5 | -34.4 | 178.7 | -77.2 | -83.9 | 0 | 0 | 0 | 112.4 | L199 E200 E201 L207 | L199-N203 PolarHBondContact O-ND2 3.23Å; E200-N203 PolarHBondContact O-N 3.04Å; E201-N203 PolarHBondContact O-N 3.12Å; N203-L207 PolarHBondContact O-N 2.95Å |
| 204 | S | 59 | Low | 63.2 | Low | 57 Ų | 57 | 115 Ų | 115 | 40% | 0.399 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.3 | -32.7 | -177.9 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | E200 E201 I206 L207 H208 | E200-S204 VanDerWaalsContact O-CB 3.28Å; E200-S204 WeakPolarHBondContact O-CB 3.47Å; E200-S204 PolarHBondContact O-N 3.49Å; E200-S204 PolarHBondContact O-OG 3.19Å; E201-S204 PolarHBondContact O-N 3.3Å; S204-I206 VanDerWaalsContact C-N 3.31Å; S204-I206 PolarHBondContact O-N 2.87Å; S204-L207 PolarHBondContact O-N 2.85Å; S204-H208 PolarHBondContact O-N 2.82Å |
| 205 | T | 56.2 | Low | 61 | Low | 79 Ų | 79 | 116.6 Ų | 116.6 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.4 | -35.2 | 175.8 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | E201 E202 H208 R209 | E201-T205 WeakPolarHBondContact O-CG2 2.85Å; E201-T205 PolarHBondContact O-N 3.45Å; E201-T205 VanDerWaalsContact O-N 3.13Å; E201-T205 PolarHBondContact O-OG1 2.82Å; E202-T205 PolarHBondContact O-OG1 3Å; T205-H208 PolarHBondContact O-N 2.77Å; T205-R209 PolarHBondContact O-N 2.76Å |
| 206 | I | 58.2 | Low | 58.8 | Low | 103 Ų | 103 | 120.9 Ų | 120.9 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63 | -46.7 | 174.1 | -62 | 166.5 | 0 | 0 | 0 | 110.1 | E202 S204 H208 R209 Y210 | E202-I206 WeakPolarHBondContact O-CD1 3.47Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å; S204-I206 VanDerWaalsContact C-N 3.31Å; S204-I206 PolarHBondContact O-N 2.87Å; I206-H208 PolarHBondContact O-N 2.77Å; I206-R209 PolarHBondContact O-N 2.93Å; I206-Y210 HydrophobicContact CG2-CE2 4.21Å; I206-Y210 WeakPolarHBondContact O-CD2 3.41Å |
| 207 | L | 53 | Low | 56.4 | Low | 112 Ų | 112 | 125.5 Ų | 125.5 | 59% | 0.586 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -32.6 | 179.4 | -118 | 160.4 | 0 | 0 | 0 | 113.1 | N203 S204 R209 Y210 H211 | N203-L207 PolarHBondContact O-N 2.95Å; S204-L207 PolarHBondContact O-N 2.85Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.85Å; L207-Y210 PolarHBondContact O-N 2.81Å; L207-H211 PolarHBondContact O-N 2.95Å |
| 208 | H | 51.5 | Low | 55 | Low | 131 Ų | 131 | 125.1 Ų | 125.1 | 61% | 0.606 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.7 | -27.7 | 177.9 | -162.7 | -95.4 | 0 | 0 | 0 | 113.1 | S204 T205 I206 Y210 | S204-H208 PolarHBondContact O-N 2.82Å; T205-H208 PolarHBondContact O-N 2.77Å; I206-H208 PolarHBondContact O-N 2.77Å; H208-Y210 VanDerWaalsContact C-N 3.3Å; H208-Y210 PolarHBondContact O-N 2.88Å |
| 209 | R | 49.5 | Very low | 53.2 | Low | 214 Ų | 214 | 133.4 Ų | 133.4 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.8 | -29 | 175.5 | -173.4 | 175.2 | -72 | 175.8 | -1 | 112.6 | T205 I206 L207 | T205-R209 PolarHBondContact O-N 2.76Å; I206-R209 PolarHBondContact O-N 2.93Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.85Å |
| 210 | Y | 48.3 | Very low | 51.3 | Low | 187 Ų | 187 | 133.6 Ų | 133.6 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -91.7 | -11.8 | -179.2 | -67.9 | -78 | 0 | 0 | 0 | 114.5 | I206 L207 H208 | I206-Y210 HydrophobicContact CG2-CE2 4.21Å; I206-Y210 WeakPolarHBondContact O-CD2 3.41Å; L207-Y210 PolarHBondContact O-N 2.81Å; H208-Y210 VanDerWaalsContact C-N 3.3Å; H208-Y210 PolarHBondContact O-N 2.88Å |
| 211 | H | 46.9 | Very low | 49.7 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | trans | -105.5 | 35.5 | -178.9 | -101.5 | -66.9 | 0 | 0 | 0 | 113.6 | L207 P213 | L207-H211 PolarHBondContact O-N 2.95Å; H211-P213 VanDerWaalsContact O-CD 3.27Å; H211-P213 WeakPolarHBondContact O-CD 3.23Å | ||
| 212 | S | 38.8 | Very low | 48.3 | Very low | 84 Ų | 84 | 137 Ų | 137 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | trans | -68.9 | 117.1 | 165.2 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | C214 | S212-C214 PolarHBondContact O-N 2.83Š| ||
| 213 | P | 43.2 | Very low | 47.3 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | -78.6 | 73.4 | 171.7 | 33.1 | -28.9 | 0 | 0 | 0 | 108.3 | H211 Q215 | H211-P213 VanDerWaalsContact O-CD 3.27Å; H211-P213 WeakPolarHBondContact O-CD 3.23Å; P213-Q215 PolarHBondContact O-N 2.76Å | ||
| 214 | C | 42.7 | Very low | 46.2 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -69 | 85.2 | 153.8 | -76.6 | 0 | 0 | 0 | 0 | 106.9 | S212 | S212-C214 PolarHBondContact O-N 2.83Š| ||
| 215 | Q | 40.7 | Very low | 45.4 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | -126.2 | 80.4 | 166 | -157.8 | 170.9 | 54.4 | 0 | 0 | 109.3 | P213 R217 | P213-Q215 PolarHBondContact O-N 2.76Å; Q215-R217 PolarHBondContact O-N 3.15Å | ||
| 216 | E | 44 | Very low | 44.7 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -5.8 | 105.4 | 139 | -172.1 | 157.1 | -150.7 | 0 | 0 | 115.5 | ||||
| 217 | R | 36.4 | Very low | 43.7 | Very low | 218 Ų | 218 | 153 Ų | 153 | 82% | 0.823 | 76% | 0.762 | S | S | * | * | trans | -156.6 | 80.8 | 146.4 | -143.6 | 167.1 | -170.9 | 147.5 | 0.6 | 111.1 | Q215 R219 | Q215-R217 PolarHBondContact O-N 3.15Å; R217-R219 PolarHBondContact O-N 3.4Å | ||
| 218 | S | 53.2 | Low | 43.1 | Very low | 105 Ų | 105 | 156.6 Ų | 156.6 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -58.3 | 117.4 | 161 | 21.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 219 | R | 44.4 | Very low | 43.2 | Very low | 220 Ų | 220 | 154.4 Ų | 154.4 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -144.9 | 102.3 | 154.3 | -75 | -162.7 | 175 | -128.3 | -2.7 | 109.4 | R217 | R217-R219 PolarHBondContact O-N 3.4Š| ||
| 220 | S | 40.6 | Very low | 42.8 | Very low | 113 Ų | 113 | 155.1 Ų | 155.1 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.2 | 168.3 | -42.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 221 | P | 43.1 | Very low | 42.5 | Very low | 127 Ų | 127 | 154.5 Ų | 154.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 133.3 | 157.9 | 32 | -23 | 0 | 0 | 0 | 110.5 | ||
| 222 | T | 38.5 | Very low | 42 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 135.4 | -178.9 | -43.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 223 | V | 45.1 | Very low | 41.8 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.9 | 163.2 | 150.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 224 | N | 37.3 | Very low | 41.7 | Very low | 143 Ų | 143 | 159.2 Ų | 159.2 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -139.2 | 84.8 | 156.2 | -148.2 | 26.6 | 0 | 0 | 0 | 108.6 | ||||
| 225 | E | 42.6 | Very low | 41.4 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -75.6 | 123.5 | 159.6 | -83.4 | -164.7 | 143.1 | 0 | 0 | 108.5 | ||||
| 226 | Y | 41.6 | Very low | 41.4 | Very low | 191 Ų | 191 | 160.3 Ų | 160.3 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -146 | 88.3 | 145.7 | -76.7 | -70.9 | 0 | 0 | 0 | 108.9 | F228 | Y226-F228 HydrophobicContact CD1-CE2 4.23Š| ||
| 227 | F | 36.7 | Very low | 41.4 | Very low | 191 Ų | 191 | 161.3 Ų | 161.3 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -90.1 | 106.1 | 163.9 | -165 | -93.4 | 0 | 0 | 0 | 107.6 | P229 | F227-P229 HydrophobicContact CD1-CG 4.4Å; F227-P229 HydrophobicContact CE1-CB 4.5Å; F227-P229 HydrophobicContact CE1-CG 4.2Å | ||
| 228 | F | 40.9 | Very low | 42.1 | Very low | 188 Ų | 188 | 158.2 Ų | 158.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -112.9 | 122.3 | 167.3 | -95.9 | -80.9 | 0 | 0 | 0 | 109.4 | Y226 | Y226-F228 HydrophobicContact CD1-CE2 4.23Š| ||
| 229 | P | 53.3 | Low | 41.8 | Very low | 86 Ų | 86 | 161.9 Ų | 161.9 | 56% | 0.558 | 78% | 0.775 | S | S | * | * | trans | -107.6 | 157.3 | 165.2 | 35.5 | -26.1 | 0 | 0 | 0 | 112.3 | F227 | F227-P229 HydrophobicContact CD1-CG 4.4Å; F227-P229 HydrophobicContact CE1-CB 4.5Å; F227-P229 HydrophobicContact CE1-CG 4.2Å | ||
| 230 | R | 40.2 | Very low | 42.1 | Very low | 228 Ų | 228 | 158.9 Ų | 158.9 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 95.1 | 141.3 | 170.5 | -57.9 | -174.4 | 179.7 | -147.4 | 0.5 | 115.5 | ||||
| 231 | K | 42.8 | Very low | 42.3 | Very low | 174 Ų | 174 | 161.8 Ų | 161.8 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | cis | -173.9 | 153.2 | -13.7 | -105.1 | -158.6 | -175.4 | -173.6 | 0 | 106.3 | ||||
| 232 | F | 36.1 | Very low | 42.4 | Very low | 183 Ų | 183 | 160.8 Ų | 160.8 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | trans | 70.7 | 141.8 | 153.8 | -125.7 | -116.7 | 0 | 0 | 0 | 116.2 | ||||
| 233 | S | 35.4 | Very low | 42.6 | Very low | 69 Ų | 69 | 166.5 Ų | 166.5 | 48% | 0.483 | 78% | 0.778 | S | S | . | * | cis | -164.5 | 153.7 | 29.7 | -155.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 234 | R | 40.7 | Very low | 42.7 | Very low | 201 Ų | 201 | 164.1 Ų | 164.1 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | 33.5 | 129.5 | 143 | -71 | -175.7 | -81 | -167.3 | -3.1 | 118.5 | ||||
| 235 | N | 35.3 | Very low | 42.8 | Very low | 133 Ų | 133 | 169.1 Ų | 169.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 177.3 | 153.4 | 58.7 | -114 | -32.9 | 0 | 0 | 0 | 110.2 | |||||
| 236 | K | 41.3 | Very low | 42.8 | Very low | 190 Ų | 190 | 169.3 Ų | 169.3 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 57 | 116.1 | 151 | -70.1 | -179.8 | 177.1 | 179.5 | 0 | 119.5 | ||||
| 237 | E | 43.7 | Very low | 42.9 | Very low | 198 Ų | 198 | 168.2 Ų | 168.2 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | -163.3 | 138.3 | 100 | -119.9 | 168.5 | 173 | 0 | 0 | 112.2 | |||||
| 238 | M | 51 | Low | 43.2 | Very low | 153 Ų | 153 | 166.9 Ų | 166.9 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -89.6 | 131.3 | -179.5 | -66.6 | -97 | -72.5 | 0 | 0 | 108.6 | ||||
| 239 | H | 47.1 | Very low | 43.3 | Very low | 182 Ų | 182 | 165.6 Ų | 165.6 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -144.3 | 88.8 | 151.5 | -114.3 | 57.4 | 0 | 0 | 0 | 109.3 | ||||
| 240 | L | 50.7 | Low | 42.7 | Very low | 157 Ų | 157 | 170.6 Ų | 170.6 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -78.8 | 111.7 | 154.5 | -95 | 98.8 | 0 | 0 | 0 | 107.1 | ||||
| 241 | Q | 44.6 | Very low | 42.9 | Very low | 174 Ų | 174 | 166.8 Ų | 166.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -101.9 | 99.2 | 165.7 | -162.6 | 161.4 | 13.4 | 0 | 0 | 107.4 | ||||
| 242 | S | 45.4 | Very low | 42.9 | Very low | 106 Ų | 106 | 166.3 Ų | 166.3 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -164.5 | 101.2 | 167.2 | -87.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 243 | R | 42.1 | Very low | 43.4 | Very low | 260 Ų | 260 | 165 Ų | 165 | 98% | 0.981 | 82% | 0.822 | S | S | * | * | trans | 170.6 | 118.5 | 132.8 | -95.9 | 170.7 | 173.1 | 178.7 | -1.9 | 109.3 | ||||
| 244 | G | 47.7 | Very low | 44.1 | Very low | 74 Ų | 74 | 173 Ų | 173 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | trans | 167.2 | 70.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 245 | I | 39.6 | Very low | 44.4 | Very low | 248 Ų | 248 | 170.5 Ų | 170.5 | 100% | 1.272 | 86% | 0.859 | S | S | * | * | trans | 165.6 | 0 | 135.6 | -76.8 | 155.3 | 0 | 0 | 0 | 107.1 |
Retrieved 245 of 245 residues in 135.1 ms
(Link to these results)