| 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 | 41.2 | Very low | 39.1 | Very low | 244 Ų | 244 | 155.9 Ų | 155.9 | 100% | 1.202 | 83% | 0.833 | S | S | * | * | 0 | 126.5 | 0 | -72.9 | -174.5 | 173.9 | 0 | 0 | 105.3 | |||||
| 2 | S | 42.8 | Very low | 38.5 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -53.9 | 129.2 | -156.7 | 44.6 | 0 | 0 | 0 | 0 | 114.8 | A4 | S2-A4 PolarHBondContact O-N 3.1Å; S2-A4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | D | 41.4 | Very low | 37.9 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | trans | -56.4 | 107.7 | 158.3 | -58.1 | -58.3 | 0 | 0 | 0 | 108 | ||||
| 4 | A | 45 | Very low | 37.6 | Very low | 98 Ų | 98 | 153 Ų | 153 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -86.9 | 118.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S2 | S2-A4 PolarHBondContact O-N 3.1Å; S2-A4 VanDerWaalsContact O-N 3.15Å | ||
| 5 | E | 41.5 | Very low | 37.6 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -63.8 | 143.2 | -172.5 | -66.5 | 174.1 | 149.9 | 0 | 0 | 112.4 | E7 | E5-E7 PolarHBondContact O-N 3.04Š| ||
| 6 | N | 37.6 | Very low | 37.5 | Very low | 131 Ų | 131 | 155.6 Ų | 155.6 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | trans | -73.8 | 99.4 | 179.8 | -177.9 | 45.4 | 0 | 0 | 0 | 109.9 | Q8 | N6-Q8 PolarHBondContact ND2-OE1 2.7Å; N6-Q8 PolarHBondContact O-N 3.27Å | ||
| 7 | E | 40.1 | Very low | 37.5 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | -86.1 | 95.2 | 162.7 | -95.3 | -176.7 | 161.1 | 0 | 0 | 108.9 | E5 T9 | E5-E7 PolarHBondContact O-N 3.04Å; E7-T9 PolarHBondContact O-N 3.24Å | ||
| 8 | Q | 37 | Very low | 37.8 | Very low | 152 Ų | 152 | 157.3 Ų | 157.3 | 71% | 0.71 | 84% | 0.84 | S | S | * | * | trans | -68.2 | 109.6 | 164 | -82.4 | 166.9 | -63.8 | 0 | 0 | 108.7 | N6 | N6-Q8 PolarHBondContact ND2-OE1 2.7Å; N6-Q8 PolarHBondContact O-N 3.27Å | ||
| 9 | T | 36.2 | Very low | 38 | Very low | 117 Ų | 117 | 157.7 Ų | 157.7 | 72% | 0.718 | 84% | 0.839 | S | S | * | * | trans | -90.3 | 108.2 | 163.3 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | E7 Q11 | E7-T9 PolarHBondContact O-N 3.24Å; T9-Q11 PolarHBondContact O-N 3.3Å | ||
| 10 | D | 34.9 | Very low | 38.6 | Very low | 147 Ų | 147 | 159.4 Ų | 159.4 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | trans | -61.1 | 108.7 | 170 | -59.3 | -49.8 | 0 | 0 | 0 | 109.9 | ||||
| 11 | Q | 33 | Very low | 39.1 | Very low | 177 Ų | 177 | 160.5 Ų | 160.5 | 83% | 0.827 | 84% | 0.842 | S | S | * | * | trans | -132.5 | 61.5 | 167.2 | -73.4 | -172.5 | -7.4 | 0 | 0 | 108.8 | T9 | T9-Q11 PolarHBondContact O-N 3.3Š| ||
| 12 | D | 31.3 | Very low | 39.7 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -108.7 | 116.8 | 168.9 | -73.6 | -38.9 | 0 | 0 | 0 | 108.7 | ||||
| 13 | G | 31.5 | Very low | 40.7 | Very low | 75 Ų | 75 | 155.9 Ų | 155.9 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 132.4 | 37.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 14 | Q | 33.4 | Very low | 41.8 | Very low | 187 Ų | 187 | 156 Ų | 156 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -129.2 | 5.6 | 168.4 | -74.4 | -168.5 | -20.2 | 0 | 0 | 117.5 | ||
| 15 | D | 36.6 | Very low | 42.9 | Very low | 160 Ų | 160 | 159 Ų | 159 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -108.6 | 35.4 | -171.7 | -60.5 | -16.5 | 0 | 0 | 0 | 114.9 | ||||
| 16 | Q | 36 | Very low | 44.4 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -118.4 | 4.1 | -177 | -81.5 | -171.4 | 14.8 | 0 | 0 | 117.6 | ||
| 17 | E | 38.3 | Very low | 46.3 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -106.5 | -6.7 | -178.4 | -67.3 | -169 | 169.4 | 0 | 0 | 116.1 | ||
| 18 | D | 42.2 | Very low | 48 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 10 | -171.2 | -67.7 | -11.8 | 0 | 0 | 0 | 115.7 | ||
| 19 | M | 43 | Very low | 49.9 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 3.3 | -173.2 | -72.8 | -67.2 | -68.8 | 0 | 0 | 115.8 | ||
| 20 | E | 49.2 | Very low | 51.8 | Low | 190 Ų | 190 | 145 Ų | 145 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -104.5 | -9.4 | -176.7 | -67.4 | -165.1 | 167.9 | 0 | 0 | 115.7 | L22 | E20-L22 PolarHBondContact O-N 3.26Š|
| 21 | E | 48.5 | Very low | 53.9 | Low | 184 Ų | 184 | 143.5 Ų | 143.5 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -85.1 | 59 | 167.8 | -78.7 | -169.6 | 154.4 | 0 | 0 | 111 | D23 | E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 3.09Å | ||
| 22 | L | 54.1 | Low | 56 | Low | 147 Ų | 147 | 141.8 Ų | 141.8 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -71.1 | 96.1 | 158.4 | -77.4 | 171.6 | 0 | 0 | 0 | 107.5 | E20 Q24 | E20-L22 PolarHBondContact O-N 3.26Å; L22-Q24 PolarHBondContact O-N 2.88Å | ||
| 23 | D | 63.8 | Low | 58.2 | Low | 112 Ų | 112 | 143.2 Ų | 143.2 | 60% | 0.599 | 72% | 0.721 | S | S | * | * | trans | -17.3 | 105.7 | 177.7 | -63.7 | -31.2 | 0 | 0 | 0 | 113.8 | E21 E25 A26 I27 | E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 3.09Å; D23-E25 PolarHBondContact O-N 3.44Å; D23-A26 HydrophobicContact CB-CB 4.15Å; D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 3.43Å; D23-I27 PolarHBondContact O-N 3.06Å | ||
| 24 | Q | 65.4 | Low | 60.4 | Low | 165 Ų | 165 | 149.1 Ų | 149.1 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -52.3 | -29.7 | 171.8 | -64.6 | 177.2 | 5.9 | 0 | 0 | 111.3 | L22 I27 E28 | L22-Q24 PolarHBondContact O-N 2.88Å; Q24-I27 PolarHBondContact O-N 3.29Å; Q24-E28 PolarHBondContact O-N 3.24Å |
| 25 | E | 67.9 | Low | 62.4 | Low | 160 Ų | 160 | 144.8 Ų | 144.8 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -61.8 | -40.7 | 173.9 | -69.4 | -167.1 | 158.1 | 0 | 0 | 113.3 | D23 I27 E28 E29 | D23-E25 PolarHBondContact O-N 3.44Å; E25-I27 VanDerWaalsContact C-N 3.29Å; E25-I27 PolarHBondContact O-N 2.99Å; E25-E28 PolarHBondContact O-N 3.14Å; E25-E29 WeakPolarHBondContact O-CB 3.46Å; E25-E29 PolarHBondContact O-N 2.96Å |
| 26 | A | 73.3 | Confident | 63.9 | Low | 57 Ų | 57 | 143.2 Ų | 143.2 | 47% | 0.471 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -66.1 | -35 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D23 A30 | D23-A26 HydrophobicContact CB-CB 4.15Å; D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 3.43Å; A26-A30 WeakPolarHBondContact O-CB 3.41Å; A26-A30 PolarHBondContact O-N 3.5Å |
| 27 | I | 76.9 | Confident | 65.6 | Low | 116 Ų | 116 | 136.3 Ų | 136.3 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.2 | -44.7 | 175.2 | -59.1 | 175.3 | 0 | 0 | 0 | 110.4 | D23 Q24 E25 A30 H31 | D23-I27 PolarHBondContact O-N 3.06Å; Q24-I27 PolarHBondContact O-N 3.29Å; E25-I27 VanDerWaalsContact C-N 3.29Å; E25-I27 PolarHBondContact O-N 2.99Å; I27-A30 PolarHBondContact O-N 3.47Å; I27-H31 PolarHBondContact O-N 3.06Å |
| 28 | E | 75.6 | Confident | 67.2 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63 | -42.1 | 176.1 | -77.6 | -163.2 | 174.9 | 0 | 0 | 112.7 | Q24 E25 H31 K32 | Q24-E28 PolarHBondContact O-N 3.24Å; E25-E28 PolarHBondContact O-N 3.14Å; E28-H31 PolarHBondContact O-N 3.42Å; E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 3.02Å; E28-K32 IonicContact OE2-NZ 3.68Å |
| 29 | E | 76.6 | Confident | 68.3 | Low | 130 Ų | 130 | 129.5 Ų | 129.5 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 179 | -162.5 | -177.7 | -179 | 0 | 0 | 111.2 | E25 H31 K32 R33 | E25-E29 WeakPolarHBondContact O-CB 3.46Å; E25-E29 PolarHBondContact O-N 2.96Å; E29-H31 VanDerWaalsContact C-N 3.29Å; E29-H31 PolarHBondContact O-N 3.01Å; E29-K32 PolarHBondContact O-N 3.5Å; E29-R33 WeakPolarHBondContact O-CB 3.28Å; E29-R33 PolarHBondContact O-N 3.16Å |
| 30 | A | 77.3 | Confident | 69.1 | Low | 59 Ų | 59 | 126.8 Ų | 126.8 | 49% | 0.488 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.4 | -38.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A26 I27 R33 R34 | A26-A30 WeakPolarHBondContact O-CB 3.41Å; A26-A30 PolarHBondContact O-N 3.5Å; I27-A30 PolarHBondContact O-N 3.47Å; A30-R33 PolarHBondContact O-N 3.1Å; A30-R34 PolarHBondContact O-N 2.87Å; A30-R34 VanDerWaalsContact O-N 3.1Å |
| 31 | H | 79 | Confident | 69.7 | Low | 117 Ų | 117 | 127 Ų | 127 | 54% | 0.542 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67 | -45.7 | 176.6 | -158.1 | -75.5 | 0 | 0 | 0 | 111.9 | I27 E28 E29 R33 R34 E35 | I27-H31 PolarHBondContact O-N 3.06Å; E28-H31 PolarHBondContact O-N 3.42Å; E29-H31 VanDerWaalsContact C-N 3.29Å; E29-H31 PolarHBondContact O-N 3.01Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.41Å; H31-R34 WeakPolarHBondContact O-CB 3.43Å; H31-R34 PolarHBondContact O-N 3.11Å; H31-E35 PolarHBondContact O-N 3.48Å |
| 32 | K | 77 | Confident | 70.3 | Confident | 141 Ų | 141 | 122.9 Ų | 122.9 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.2 | -41 | 175.6 | -74.6 | 170.7 | -176.8 | 155.6 | 0 | 111.8 | E28 E29 E35 H36 | E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 3.02Å; E28-K32 IonicContact OE2-NZ 3.68Å; E29-K32 PolarHBondContact O-N 3.5Å; K32-E35 PolarHBondContact O-N 3.06Å; K32-H36 PolarHBondContact O-N 2.87Å |
| 33 | R | 77.3 | Confident | 70.4 | Confident | 194 Ų | 194 | 122 Ų | 122 | 73% | 0.732 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.6 | -36.5 | 178.8 | -144.9 | 169.2 | -173.1 | 167.5 | 1.6 | 112.3 | E29 A30 H31 A37 | E29-R33 WeakPolarHBondContact O-CB 3.28Å; E29-R33 PolarHBondContact O-N 3.16Å; A30-R33 PolarHBondContact O-N 3.1Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.41Å; R33-A37 WeakPolarHBondContact O-CB 3.45Å; R33-A37 PolarHBondContact O-N 3.31Å; R33-A37 VanDerWaalsContact O-N 3.13Å |
| 34 | R | 77.5 | Confident | 70.2 | Confident | 200 Ų | 200 | 121.4 Ų | 121.4 | 76% | 0.755 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.3 | -43.9 | 172.7 | -104.4 | -176.9 | 175.3 | 174.8 | 0.7 | 112.6 | A30 H31 A37 R38 | A30-R34 PolarHBondContact O-N 2.87Å; A30-R34 VanDerWaalsContact O-N 3.1Å; H31-R34 WeakPolarHBondContact O-CB 3.43Å; H31-R34 PolarHBondContact O-N 3.11Å; R34-A37 PolarHBondContact O-N 3.34Å; R34-R38 PolarHBondContact O-N 3.23Å |
| 35 | E | 74.7 | Confident | 69.7 | Low | 96 Ų | 96 | 116.4 Ų | 116.4 | 45% | 0.449 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -42.3 | 177.8 | -73.2 | -63.6 | 128 | 0 | 0 | 111.6 | H31 K32 A37 R38 A39 | H31-E35 PolarHBondContact O-N 3.48Å; K32-E35 PolarHBondContact O-N 3.06Å; E35-A37 PolarHBondContact O-N 2.87Å; E35-R38 WeakPolarHBondContact O-CB 3.44Å; E35-R38 PolarHBondContact O-N 3.17Å; E35-A39 PolarHBondContact O-N 3.29Å |
| 36 | H | 68.6 | Low | 69.1 | Low | 126 Ų | 126 | 114.1 Ų | 114.1 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.5 | -43.5 | 177 | -147.1 | -76.9 | 0 | 0 | 0 | 112.2 | K32 R38 A39 E40 | K32-H36 PolarHBondContact O-N 2.87Å; H36-R38 VanDerWaalsContact C-N 3.26Å; H36-R38 PolarHBondContact O-N 3.32Å; H36-A39 PolarHBondContact O-N 3.13Å; H36-E40 IonicContact CE1-OE1 3.83Å; H36-E40 IonicContact ND1-OE1 3.91Å; H36-E40 PolarHBondContact O-N 2.92Å; H36-E40 VanDerWaalsContact O-N 3.1Å |
| 37 | A | 72.3 | Confident | 68.2 | Low | 44 Ų | 44 | 116.6 Ų | 116.6 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -29.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R33 R34 E35 R41 | R33-A37 WeakPolarHBondContact O-CB 3.45Å; R33-A37 PolarHBondContact O-N 3.31Å; R33-A37 VanDerWaalsContact O-N 3.13Å; R34-A37 PolarHBondContact O-N 3.34Å; E35-A37 PolarHBondContact O-N 2.87Å; A37-R41 WeakPolarHBondContact O-CG 3.36Å; A37-R41 PolarHBondContact O-N 3.48Å |
| 38 | R | 71.8 | Confident | 67.1 | Low | 143 Ų | 143 | 114.7 Ų | 114.7 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.3 | -45.3 | 173.3 | -178.8 | -177.2 | 171.8 | 178.5 | 1.1 | 111.4 | R34 E35 H36 E40 R41 E42 | R34-R38 PolarHBondContact O-N 3.23Å; E35-R38 WeakPolarHBondContact O-CB 3.44Å; E35-R38 PolarHBondContact O-N 3.17Å; H36-R38 VanDerWaalsContact C-N 3.26Å; H36-R38 PolarHBondContact O-N 3.32Å; R38-E40 VanDerWaalsContact C-N 3.33Å; R38-E40 PolarHBondContact O-N 3.07Å; R38-R41 PolarHBondContact O-N 3.02Å; R38-E42 IonicContact CZ-OE1 2.72Å; R38-E42 IonicContact NE-OE1 2.81Å; R38-E42 PolarHBondContact NE-OE1 3.28Å; R38-E42 IonicContact NH2-OE1 2.75Å; R38-E42 PolarHBondContact O-N 2.78Å |
| 39 | A | 64.2 | Low | 66.1 | Low | 55 Ų | 55 | 112.9 Ų | 112.9 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.3 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | E35 H36 R41 E42 E43 | E35-A39 PolarHBondContact O-N 3.29Å; H36-A39 PolarHBondContact O-N 3.13Å; A39-R41 PolarHBondContact O-N 3.19Å; A39-E42 PolarHBondContact O-N 3.04Å; A39-E43 PolarHBondContact O-N 2.9Å |
| 40 | E | 60.9 | Low | 65 | Low | 109 Ų | 109 | 114.7 Ų | 114.7 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 175.4 | -75 | 177.7 | -175.6 | 0 | 0 | 112.3 | H36 R38 E42 E43 V44 | H36-E40 IonicContact CE1-OE1 3.83Å; H36-E40 IonicContact ND1-OE1 3.91Å; H36-E40 PolarHBondContact O-N 2.92Å; H36-E40 VanDerWaalsContact O-N 3.1Å; R38-E40 VanDerWaalsContact C-N 3.33Å; R38-E40 PolarHBondContact O-N 3.07Å; E40-E42 VanDerWaalsContact C-N 3.35Å; E40-E42 PolarHBondContact O-N 3.12Å; E40-E43 PolarHBondContact O-N 2.64Å; E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 3.16Å |
| 41 | R | 61.6 | Low | 63.6 | Low | 194 Ų | 194 | 114.8 Ų | 114.8 | 73% | 0.732 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64 | -39.3 | 176.7 | -73.8 | 175.8 | -178.2 | -178.5 | 1.4 | 112.5 | A37 R38 A39 A45 | A37-R41 WeakPolarHBondContact O-CG 3.36Å; A37-R41 PolarHBondContact O-N 3.48Å; R38-R41 PolarHBondContact O-N 3.02Å; A39-R41 PolarHBondContact O-N 3.19Å; R41-A45 WeakPolarHBondContact O-CB 3.4Å; R41-A45 PolarHBondContact O-N 2.85Å |
| 42 | E | 60 | Low | 62.7 | Low | 98 Ų | 98 | 118.7 Ų | 118.7 | 46% | 0.458 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.5 | -36.7 | 176.9 | -71.6 | 178.6 | -171.8 | 0 | 0 | 111.5 | R38 A39 E40 A45 N46 | R38-E42 IonicContact CZ-OE1 2.72Å; R38-E42 IonicContact NE-OE1 2.81Å; R38-E42 PolarHBondContact NE-OE1 3.28Å; R38-E42 IonicContact NH2-OE1 2.75Å; R38-E42 PolarHBondContact O-N 2.78Å; A39-E42 PolarHBondContact O-N 3.04Å; E40-E42 VanDerWaalsContact C-N 3.35Å; E40-E42 PolarHBondContact O-N 3.12Å; E42-A45 PolarHBondContact O-N 3.06Å; E42-N46 WeakPolarHBondContact O-CB 2.95Å; E42-N46 PolarHBondContact O-N 2.9Å; E42-N46 PolarHBondContact O-ND2 3.31Å |
| 43 | E | 56.2 | Low | 61.8 | Low | 127 Ų | 127 | 117.8 Ų | 117.8 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.5 | -46.7 | 174 | -168.7 | -177.8 | 177.2 | 0 | 0 | 112.1 | A39 E40 A45 N46 L47 | A39-E43 PolarHBondContact O-N 2.9Å; E40-E43 PolarHBondContact O-N 2.64Å; E43-A45 VanDerWaalsContact C-N 3.3Å; E43-A45 PolarHBondContact O-N 2.98Å; E43-N46 PolarHBondContact O-N 2.97Å; E43-L47 HydrophobicContact CG-CD1 4.29Å; E43-L47 PolarHBondContact O-N 3.1Å |
| 44 | V | 59.1 | Low | 61 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63 | -37.7 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | E40 L47 A48 | E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 3.16Å; V44-L47 PolarHBondContact O-N 3.46Å; V44-A48 PolarHBondContact O-N 3.45Å; V44-A48 VanDerWaalsContact O-N 3.15Å |
| 45 | A | 56.7 | Low | 60.5 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.1 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R41 E42 E43 A48 A49 | R41-A45 WeakPolarHBondContact O-CB 3.4Å; R41-A45 PolarHBondContact O-N 2.85Å; E42-A45 PolarHBondContact O-N 3.06Å; E43-A45 VanDerWaalsContact C-N 3.3Å; E43-A45 PolarHBondContact O-N 2.98Å; A45-A48 PolarHBondContact O-N 3.17Å; A45-A49 PolarHBondContact O-N 3.03Å |
| 46 | N | 55.5 | Low | 60.3 | Low | 111 Ų | 111 | 107.2 Ų | 107.2 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67 | -35.3 | 176.8 | -76.9 | -29 | 0 | 0 | 0 | 112.5 | E42 E43 A48 A49 F50 | E42-N46 WeakPolarHBondContact O-CB 2.95Å; E42-N46 PolarHBondContact O-N 2.9Å; E42-N46 PolarHBondContact O-ND2 3.31Å; E43-N46 PolarHBondContact O-N 2.97Å; N46-A48 VanDerWaalsContact C-N 3.31Å; N46-A48 PolarHBondContact O-N 2.96Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 3.11Å; N46-F50 WeakPolarHBondContact O-CD2 3.35Å |
| 47 | L | 53 | Low | 60.5 | Low | 109 Ų | 109 | 104.9 Ų | 104.9 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.6 | -35.8 | 172.3 | -80.3 | 152.7 | 0 | 0 | 0 | 112 | E43 V44 A49 F50 | E43-L47 HydrophobicContact CG-CD1 4.29Å; E43-L47 PolarHBondContact O-N 3.1Å; V44-L47 PolarHBondContact O-N 3.46Å; L47-A49 VanDerWaalsContact C-N 3.28Å; L47-A49 PolarHBondContact O-N 3.33Å; L47-F50 PolarHBondContact O-N 2.93Å |
| 48 | A | 53.9 | Low | 60.1 | Low | 76 Ų | 76 | 109.9 Ų | 109.9 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.6 | -19.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V44 A45 N46 F50 | V44-A48 PolarHBondContact O-N 3.45Å; V44-A48 VanDerWaalsContact O-N 3.15Å; A45-A48 PolarHBondContact O-N 3.17Å; N46-A48 VanDerWaalsContact C-N 3.31Å; N46-A48 PolarHBondContact O-N 2.96Å; A48-F50 VanDerWaalsContact C-N 3.28Å |
| 49 | A | 54.5 | Low | 60 | Low | 81 Ų | 81 | 109.8 Ų | 109.8 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.9 | -24.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A45 N46 L47 G51 | A45-A49 PolarHBondContact O-N 3.03Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 3.11Å; L47-A49 VanDerWaalsContact C-N 3.28Å; L47-A49 PolarHBondContact O-N 3.33Å; A49-G51 VanDerWaalsContact C-N 3.3Å; A49-G51 PolarHBondContact O-N 3.05Å |
| 50 | F | 53 | Low | 60.2 | Low | 167 Ų | 167 | 113.3 Ų | 113.3 | 73% | 0.732 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -72 | 95.5 | 161.1 | -61.9 | -79 | 0 | 0 | 0 | 106.6 | N46 L47 A48 K52 | N46-F50 WeakPolarHBondContact O-CD2 3.35Å; L47-F50 PolarHBondContact O-N 2.93Å; A48-F50 VanDerWaalsContact C-N 3.28Å; F50-K52 PolarHBondContact O-N 3.14Å |
| 51 | G | 49.4 | Very low | 60.4 | Low | 62 Ų | 62 | 111.1 Ų | 111.1 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | trans | -41.3 | 142.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A49 | A49-G51 VanDerWaalsContact C-N 3.3Å; A49-G51 PolarHBondContact O-N 3.05Å | ||
| 52 | K | 60 | Low | 60.5 | Low | 198 Ų | 198 | 106 Ų | 106 | 86% | 0.861 | 60% | 0.601 | S | S | * | * | trans | -38 | 129.8 | -175.1 | -63.1 | 174.2 | -178.1 | -179.8 | 0 | 110.7 | F50 S54 | F50-K52 PolarHBondContact O-N 3.14Å; K52-S54 PolarHBondContact O-N 3.2Å | ||
| 53 | P | 58.2 | Low | 60.7 | Low | 123 Ų | 123 | 109.1 Ų | 109.1 | 80% | 0.799 | 61% | 0.609 | S | S | * | * | trans | -52.8 | 133.2 | 178.2 | 21.2 | -31.4 | 0 | 0 | 0 | 108.9 | A55 | P53-A55 PolarHBondContact O-N 3.22Š| ||
| 54 | S | 61 | Low | 60.8 | Low | 65 Ų | 65 | 106.5 Ų | 106.5 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | trans | -55.5 | 126.2 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | K52 L56 L61 | K52-S54 PolarHBondContact O-N 3.2Å; S54-L56 PolarHBondContact O-N 3.4Å; S54-L61 WeakPolarHBondContact OG-CD1 3.09Å; S54-L61 WeakPolarHBondContact OG-CD2 2.98Å | ||
| 55 | A | 67 | Low | 60.6 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 91% | 0.909 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -68 | 8.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P53 | P53-A55 PolarHBondContact O-N 3.22Š|
| 56 | L | 69.7 | Low | 60.7 | Low | 92 Ų | 92 | 108.8 Ų | 108.8 | 48% | 0.482 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -80 | 139.3 | 178.6 | -73.7 | 162.8 | 0 | 0 | 0 | 109.8 | S54 K58 K60 L61 | S54-L56 PolarHBondContact O-N 3.4Å; L56-K58 PolarHBondContact O-N 3.26Å; L56-K60 HydrophobicContact CD2-CD 4.04Å; L56-L61 HydrophobicContact CB-CD1 4.29Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 WeakPolarHBondContact O-CD1 3.48Å |
| 57 | P | 72.9 | Confident | 60.8 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | trans | -59.4 | 141.4 | 173.3 | 24.8 | -32.7 | 0 | 0 | 0 | 110.1 | E59 K60 L61 | P57-E59 PolarHBondContact O-N 3.42Å; P57-K60 HydrophobicContact CG-CB 4.34Å; P57-K60 HydrophobicContact CG-CD 4.31Å; P57-K60 HydrophobicContact CG-CG 4.32Å; P57-K60 PolarHBondContact O-N 3.05Å; P57-L61 PolarHBondContact O-N 2.93Å | ||
| 58 | K | 64.6 | Low | 60.7 | Low | 149 Ų | 149 | 108.5 Ų | 108.5 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -46.3 | -40 | -178.8 | -173.9 | 176.4 | 178.3 | -179.8 | 0 | 112.4 | L56 K60 L61 M62 | L56-K58 PolarHBondContact O-N 3.26Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K58-K60 PolarHBondContact O-N 3Å; K58-L61 WeakPolarHBondContact O-CB 3.47Å; K58-L61 PolarHBondContact O-N 2.99Å; K58-L61 VanDerWaalsContact O-N 3.15Å; K58-M62 HydrophobicContact CG-CG 4.11Å; K58-M62 HydrophobicContact CG-SD 4.25Å; K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.45Å; K58-M62 PolarHBondContact O-N 2.9Å |
| 59 | E | 69.8 | Low | 60.5 | Low | 141 Ų | 141 | 108.5 Ų | 108.5 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.6 | -34.5 | 177.3 | -64.8 | 178.8 | -176.5 | 0 | 0 | 114.7 | P57 R63 | P57-E59 PolarHBondContact O-N 3.42Å; E59-R63 WeakPolarHBondContact O-CG 3.26Å; E59-R63 PolarHBondContact O-N 2.94Å; E59-R63 PolarHBondContact O-NH1 2.83Å |
| 60 | K | 67.6 | Low | 60.2 | Low | 129 Ų | 129 | 112.2 Ų | 112.2 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.8 | -36.5 | 175.8 | -87.3 | -174.2 | 177.3 | 177.6 | 0 | 111.4 | L56 P57 K58 R63 | L56-K60 HydrophobicContact CD2-CD 4.04Å; P57-K60 HydrophobicContact CG-CB 4.34Å; P57-K60 HydrophobicContact CG-CD 4.31Å; P57-K60 HydrophobicContact CG-CG 4.32Å; P57-K60 PolarHBondContact O-N 3.05Å; K58-K60 VanDerWaalsContact C-N 3.33Å; K58-K60 PolarHBondContact O-N 3Å; K60-R63 PolarHBondContact O-N 3.35Å |
| 61 | L | 64.8 | Low | 60.1 | Low | 64 Ų | 64 | 113.5 Ų | 113.5 | 34% | 0.335 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.8 | -45.8 | 174.8 | -68.9 | 153.2 | 0 | 0 | 0 | 110.5 | S54 L56 P57 K58 R63 S64 | S54-L61 WeakPolarHBondContact OG-CD1 3.09Å; S54-L61 WeakPolarHBondContact OG-CD2 2.98Å; L56-L61 HydrophobicContact CB-CD1 4.29Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 WeakPolarHBondContact O-CD1 3.48Å; P57-L61 PolarHBondContact O-N 2.93Å; K58-L61 WeakPolarHBondContact O-CB 3.47Å; K58-L61 PolarHBondContact O-N 2.99Å; K58-L61 VanDerWaalsContact O-N 3.15Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 2.67Å; L61-S64 PolarHBondContact O-N 3.23Å; L61-S64 VanDerWaalsContact O-N 3.09Å; L61-S64 PolarHBondContact O-OG 3.04Å |
| 62 | M | 64.2 | Low | 60.4 | Low | 86 Ų | 86 | 113.5 Ų | 113.5 | 42% | 0.424 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.9 | -23.5 | 178.9 | -64.1 | -152.7 | 89.5 | 0 | 0 | 113.8 | K58 S64 E65 | K58-M62 HydrophobicContact CG-CG 4.11Å; K58-M62 HydrophobicContact CG-SD 4.25Å; K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.45Å; K58-M62 PolarHBondContact O-N 2.9Å; M62-S64 PolarHBondContact O-N 3.21Å; M62-E65 VanDerWaalsContact CE-CD 3.48Å; M62-E65 WeakPolarHBondContact CE-OE2 3.33Å; M62-E65 WeakPolarHBondContact O-CB 3.46Å; M62-E65 PolarHBondContact O-N 2.96Å |
| 63 | R | 63.9 | Low | 59.9 | Low | 163 Ų | 163 | 107.3 Ų | 107.3 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -22.3 | 171.7 | -82.4 | -178.8 | -171.2 | 93.8 | -5.4 | 113 | E59 K60 L61 | E59-R63 WeakPolarHBondContact O-CG 3.26Å; E59-R63 PolarHBondContact O-N 2.94Å; E59-R63 PolarHBondContact O-NH1 2.83Å; K60-R63 PolarHBondContact O-N 3.35Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 2.67Å |
| 64 | S | 57.9 | Low | 59.6 | Low | 73 Ų | 73 | 104.1 Ų | 104.1 | 51% | 0.51 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -13.9 | 173.7 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | L61 M62 G66 I67 | L61-S64 PolarHBondContact O-N 3.23Å; L61-S64 VanDerWaalsContact O-N 3.09Å; L61-S64 PolarHBondContact O-OG 3.04Å; M62-S64 PolarHBondContact O-N 3.21Å; S64-G66 PolarHBondContact O-N 3.21Å; S64-I67 PolarHBondContact O-N 2.77Å; S64-I67 VanDerWaalsContact O-N 3.08Å |
| 65 | E | 55.9 | Low | 59.5 | Low | 135 Ų | 135 | 107.2 Ų | 107.2 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 93.9 | 176.6 | -67.9 | -174.6 | -158.8 | 0 | 0 | 109.8 | M62 | M62-E65 VanDerWaalsContact CE-CD 3.48Å; M62-E65 WeakPolarHBondContact CE-OE2 3.33Å; M62-E65 WeakPolarHBondContact O-CB 3.46Å; M62-E65 PolarHBondContact O-N 2.96Å |
| 66 | G | 58 | Low | 58.9 | Low | 73 Ų | 73 | 110 Ų | 110 | 75% | 0.753 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.2 | -23.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S64 I68 | S64-G66 PolarHBondContact O-N 3.21Å; G66-I68 VanDerWaalsContact C-N 3.31Å; G66-I68 PolarHBondContact O-N 3.01Å |
| 67 | I | 56.8 | Low | 58.3 | Low | 123 Ų | 123 | 115 Ų | 115 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | trans | -88.5 | 81.3 | 165.3 | -52.5 | 175.2 | 0 | 0 | 0 | 106 | S64 P69 | S64-I67 PolarHBondContact O-N 2.77Å; S64-I67 VanDerWaalsContact O-N 3.08Å; I67-P69 WeakPolarHBondContact O-CD 3.16Å; I67-P69 VanDerWaalsContact O-N 3.09Å | ||
| 68 | I | 52.1 | Low | 57.4 | Low | 92 Ų | 92 | 114.7 Ų | 114.7 | 47% | 0.472 | 61% | 0.605 | S | S | . | * | trans | -58.4 | 116.8 | 163.9 | -57.1 | 178.9 | 0 | 0 | 0 | 105 | G66 I70 S72 | G66-I68 VanDerWaalsContact C-N 3.31Å; G66-I68 PolarHBondContact O-N 3.01Å; I68-I70 PolarHBondContact O-N 3.34Å; I68-S72 WeakPolarHBondContact CG2-O 3.5Å; I68-S72 WeakPolarHBondContact CG2-OG 3.44Å | ||
| 69 | P | 48.9 | Very low | 56.8 | Low | 76 Ų | 76 | 111.3 Ų | 111.3 | 49% | 0.494 | 60% | 0.6 | S | S | . | * | trans | -44.9 | 133.3 | 173.5 | -25.8 | 30.2 | 0 | 0 | 0 | 108 | I67 Q71 S72 | I67-P69 WeakPolarHBondContact O-CD 3.16Å; I67-P69 VanDerWaalsContact O-N 3.09Å; P69-Q71 HydrophobicContact CB-CB 4.31Å; P69-Q71 PolarHBondContact O-N 2.98Å; P69-S72 VanDerWaalsContact CD-OG 3.26Å; P69-S72 WeakPolarHBondContact CD-OG 3.25Å; P69-S72 WeakPolarHBondContact O-CA 2.99Å; P69-S72 PolarHBondContact O-N 2.98Å; P69-S72 PolarHBondContact O-OG 3.15Å | ||
| 70 | I | 49.3 | Very low | 56.3 | Low | 159 Ų | 159 | 111.9 Ų | 111.9 | 82% | 0.815 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -23.3 | 178.1 | -73.9 | 171.7 | 0 | 0 | 0 | 111.3 | I68 | I68-I70 PolarHBondContact O-N 3.34Š|
| 71 | Q | 51.2 | Low | 55.6 | Low | 193 Ų | 193 | 115 Ų | 115 | 90% | 0.902 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -37.7 | 172.7 | -56.9 | -116.7 | -41.6 | 0 | 0 | 113.9 | P69 G73 | P69-Q71 HydrophobicContact CB-CB 4.31Å; P69-Q71 PolarHBondContact O-N 2.98Å; Q71-G73 PolarHBondContact O-N 3.21Å |
| 72 | S | 54.4 | Low | 55.1 | Low | 62 Ų | 62 | 115.7 Ų | 115.7 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -83.2 | 75.6 | 169.4 | 24.4 | 0 | 0 | 0 | 0 | 108.5 | I68 P69 T74 | I68-S72 WeakPolarHBondContact CG2-O 3.5Å; I68-S72 WeakPolarHBondContact CG2-OG 3.44Å; P69-S72 VanDerWaalsContact CD-OG 3.26Å; P69-S72 WeakPolarHBondContact CD-OG 3.25Å; P69-S72 WeakPolarHBondContact O-CA 2.99Å; P69-S72 PolarHBondContact O-N 2.98Å; P69-S72 PolarHBondContact O-OG 3.15Å; S72-T74 PolarHBondContact O-N 3.23Å |
| 73 | G | 49.7 | Very low | 54.7 | Low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | trans | -26.5 | 100.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q71 N75 | Q71-G73 PolarHBondContact O-N 3.21Å; G73-N75 PolarHBondContact O-N 2.92Å | ||
| 74 | T | 52.7 | Low | 54.3 | Low | 55 Ų | 55 | 113.5 Ų | 113.5 | 34% | 0.337 | 64% | 0.641 | S | S | . | * | trans | -72.9 | 123.5 | 171.3 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | S72 K76 | S72-T74 PolarHBondContact O-N 3.23Å; T74-K76 PolarHBondContact O-N 3.3Å; T74-K76 WeakPolarHBondContact OG1-CB 3.27Å; T74-K76 PolarHBondContact OG1-N 3.3Å | ||
| 75 | N | 57.4 | Low | 53.9 | Low | 130 Ų | 130 | 112.5 Ų | 112.5 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -77.4 | 4.9 | 176.3 | 64.2 | -14.3 | 0 | 0 | 0 | 113.1 | G73 Y77 A78 | G73-N75 PolarHBondContact O-N 2.92Å; N75-Y77 PolarHBondContact O-N 3.13Å; N75-Y77 VanDerWaalsContact O-N 3.1Å; N75-A78 HydrophobicContact CB-CB 4Å; N75-A78 WeakPolarHBondContact O-CB 3.32Å; N75-A78 PolarHBondContact O-N 3.39Å |
| 76 | K | 56.2 | Low | 53.8 | Low | 169 Ų | 169 | 117 Ų | 117 | 74% | 0.735 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -57.2 | -29.6 | -178.5 | -172.1 | 176.8 | -84.7 | -176.1 | 0 | 112.4 | T74 | T74-K76 PolarHBondContact O-N 3.3Å; T74-K76 WeakPolarHBondContact OG1-CB 3.27Å; T74-K76 PolarHBondContact OG1-N 3.3Å |
| 77 | Y | 57 | Low | 53.5 | Low | 197 Ų | 197 | 117.3 Ų | 117.3 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -105.8 | 0.5 | 174.9 | -49.8 | -67.4 | 0 | 0 | 0 | 113.5 | N75 S79 | N75-Y77 PolarHBondContact O-N 3.13Å; N75-Y77 VanDerWaalsContact O-N 3.1Å; Y77-S79 VanDerWaalsContact C-N 3.35Å; Y77-S79 PolarHBondContact O-N 2.99Å |
| 78 | A | 54.1 | Low | 53.1 | Low | 70 Ų | 70 | 120.3 Ų | 120.3 | 58% | 0.579 | 67% | 0.667 | S | S | * | * | trans | -77.8 | 88.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | N75 Q80 | N75-A78 HydrophobicContact CB-CB 4Å; N75-A78 WeakPolarHBondContact O-CB 3.32Å; N75-A78 PolarHBondContact O-N 3.39Å; A78-Q80 PolarHBondContact O-N 2.7Å | ||
| 79 | S | 50.2 | Low | 53.1 | Low | 78 Ų | 78 | 120.8 Ų | 120.8 | 55% | 0.545 | 68% | 0.676 | S | S | . | * | trans | -67.6 | 125.2 | 170.3 | 152.8 | 0 | 0 | 0 | 0 | 109.7 | Y77 K81 | Y77-S79 VanDerWaalsContact C-N 3.35Å; Y77-S79 PolarHBondContact O-N 2.99Å; S79-K81 PolarHBondContact O-N 2.89Å; S79-K81 VanDerWaalsContact O-N 3.13Å; S79-K81 WeakPolarHBondContact OG-CB 3.41Å; S79-K81 PolarHBondContact OG-N 2.84Å | ||
| 80 | Q | 60.9 | Low | 53.2 | Low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | trans | -64.5 | -11.8 | 170.4 | -167.5 | 171.7 | 33.3 | 0 | 0 | 112.4 | A78 G82 M83 | A78-Q80 PolarHBondContact O-N 2.7Å; Q80-G82 PolarHBondContact O-N 2.6Å; Q80-M83 HydrophobicContact CG-CB 4.14Å; Q80-M83 HydrophobicContact CG-SD 4.22Å; Q80-M83 WeakPolarHBondContact O-CB 3.47Å; Q80-M83 PolarHBondContact O-N 3.33Å | ||
| 81 | K | 52.1 | Low | 53.3 | Low | 193 Ų | 193 | 125.8 Ų | 125.8 | 84% | 0.839 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 111.7 | 176.3 | -154.9 | 178.6 | -176.6 | 179.2 | 0 | 109.3 | S79 | S79-K81 PolarHBondContact O-N 2.89Å; S79-K81 VanDerWaalsContact O-N 3.13Å; S79-K81 WeakPolarHBondContact OG-CB 3.41Å; S79-K81 PolarHBondContact OG-N 2.84Å |
| 82 | G | 54.9 | Low | 53.4 | Low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.3 | -10.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q80 T84 | Q80-G82 PolarHBondContact O-N 2.6Å; G82-T84 PolarHBondContact O-N 3.39Å; G82-T84 VanDerWaalsContact O-N 3.12Å |
| 83 | M | 56.1 | Low | 53.3 | Low | 141 Ų | 141 | 123 Ų | 123 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | trans | -71.6 | 107.9 | 168.2 | -73.6 | 179.5 | 68.9 | 0 | 0 | 109.1 | Q80 G85 | Q80-M83 HydrophobicContact CG-CB 4.14Å; Q80-M83 HydrophobicContact CG-SD 4.22Å; Q80-M83 WeakPolarHBondContact O-CB 3.47Å; Q80-M83 PolarHBondContact O-N 3.33Å; M83-G85 PolarHBondContact O-N 3.2Å | ||
| 84 | T | 54.7 | Low | 53.4 | Low | 62 Ų | 62 | 125.8 Ų | 125.8 | 38% | 0.38 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 131.9 | 167.5 | 51.9 | 0 | 0 | 0 | 0 | 109 | G82 R88 | G82-T84 PolarHBondContact O-N 3.39Å; G82-T84 VanDerWaalsContact O-N 3.12Å; T84-R88 HydrophobicContact CG2-CB 4.37Å |
| 85 | G | 49.3 | Very low | 53.4 | Low | 52 Ų | 52 | 132.8 Ų | 132.8 | 54% | 0.536 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 153.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | M83 G87 R88 | M83-G85 PolarHBondContact O-N 3.2Å; G85-G87 PolarHBondContact O-N 3.09Å; G85-G87 VanDerWaalsContact O-N 3.17Å; G85-R88 PolarHBondContact O-N 2.92Å |
| 86 | F | 54.1 | Low | 53.1 | Low | 229 Ų | 229 | 131.4 Ų | 131.4 | 100% | 1.004 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.5 | 124.9 | 175.2 | -106.3 | -89.6 | 0 | 0 | 0 | 110.2 | ||
| 87 | G | 50.5 | Low | 52.8 | Low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.4 | -6.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G85 | G85-G87 PolarHBondContact O-N 3.09Å; G85-G87 VanDerWaalsContact O-N 3.17Å |
| 88 | R | 49.2 | Very low | 52.3 | Low | 186 Ų | 186 | 126.7 Ų | 126.7 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -71.7 | 135.9 | 167.9 | -107.4 | -161.9 | -172.4 | -127.5 | 3.9 | 110 | T84 G85 R90 | T84-R88 HydrophobicContact CG2-CB 4.37Å; G85-R88 PolarHBondContact O-N 2.92Å; R88-R90 PolarHBondContact O-N 2.79Å |
| 89 | P | 51.6 | Low | 52.5 | Low | 102 Ų | 102 | 132.5 Ų | 132.5 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | trans | -53.9 | 126.3 | 168.5 | -19.3 | 29.5 | 0 | 0 | 0 | 108.7 | D91 | P89-D91 PolarHBondContact O-N 3.08Š| ||
| 90 | R | 52.2 | Low | 52.9 | Low | 204 Ų | 204 | 136.4 Ų | 136.4 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | -76.4 | 112.3 | 166.9 | -61.5 | -179.6 | -158.6 | -112.4 | 3 | 105 | R88 V92 | R88-R90 PolarHBondContact O-N 2.79Å; R90-V92 VanDerWaalsContact C-N 3.31Å; R90-V92 WeakPolarHBondContact O-CG2 3.28Å; R90-V92 PolarHBondContact O-N 3.3Å | ||
| 91 | D | 50.6 | Low | 52.7 | Low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -64.9 | 97.8 | 171.3 | -70.3 | -28.3 | 0 | 0 | 0 | 107.2 | P89 I93 | P89-D91 PolarHBondContact O-N 3.08Å; D91-I93 PolarHBondContact O-N 3.04Å | ||
| 92 | V | 54 | Low | 53.2 | Low | 79 Ų | 79 | 135.4 Ų | 135.4 | 48% | 0.479 | 71% | 0.714 | S | S | . | * | trans | -76.4 | 0.9 | 174.9 | -164.4 | 0 | 0 | 0 | 0 | 110.8 | R90 D94 L117 | R90-V92 VanDerWaalsContact C-N 3.31Å; R90-V92 WeakPolarHBondContact O-CG2 3.28Å; R90-V92 PolarHBondContact O-N 3.3Å; V92-D94 PolarHBondContact O-N 3.46Å; V92-L117 HydrophobicContact CG2-CD2 4.5Å | ||
| 93 | I | 51.9 | Low | 53.4 | Low | 118 Ų | 118 | 136.6 Ų | 136.6 | 61% | 0.605 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -77.2 | 84.3 | 171.5 | -53.3 | 177.6 | 0 | 0 | 0 | 106.4 | D91 K95 | D91-I93 PolarHBondContact O-N 3.04Å; I93-K95 PolarHBondContact O-N 2.78Å; I93-K95 VanDerWaalsContact O-N 3.1Å |
| 94 | D | 50.7 | Low | 53.7 | Low | 127 Ų | 127 | 134.1 Ų | 134.1 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | trans | -46 | 116.3 | 177.6 | -78.2 | -36.7 | 0 | 0 | 0 | 110 | V92 V96 | V92-D94 PolarHBondContact O-N 3.46Å; D94-V96 HydrophobicContact CB-CB 4.42Å; D94-V96 PolarHBondContact O-N 2.77Å; D94-V96 VanDerWaalsContact O-N 3.16Å | ||
| 95 | K | 53.7 | Low | 54.2 | Low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -71.1 | 4.5 | 166.2 | -66.9 | -178.8 | -178.4 | 178.4 | 0 | 112 | I93 K97 | I93-K95 PolarHBondContact O-N 2.78Å; I93-K95 VanDerWaalsContact O-N 3.1Å; K95-K97 PolarHBondContact O-N 2.9Å | ||
| 96 | V | 50.1 | Low | 55.3 | Low | 100 Ų | 100 | 140.3 Ų | 140.3 | 61% | 0.606 | 71% | 0.709 | S | S | * | * | trans | -81.4 | 100 | 176.2 | -172.8 | 0 | 0 | 0 | 0 | 107.6 | D94 C98 | D94-V96 HydrophobicContact CB-CB 4.42Å; D94-V96 PolarHBondContact O-N 2.77Å; D94-V96 VanDerWaalsContact O-N 3.16Å; V96-C98 VanDerWaalsContact C-N 3.32Å; V96-C98 PolarHBondContact O-N 2.94Å | ||
| 97 | K | 50.3 | Low | 56 | Low | 197 Ų | 197 | 136.9 Ų | 136.9 | 86% | 0.857 | 70% | 0.696 | S | S | * | * | trans | -67.3 | 94.2 | 166.4 | -65 | -176.2 | 179.6 | -175.7 | 0 | 107.6 | K95 E99 | K95-K97 PolarHBondContact O-N 2.9Å; K97-E99 PolarHBondContact O-N 3.4Å | ||
| 98 | C | 46.1 | Very low | 57 | Low | 71 Ų | 71 | 137.2 Ų | 137.2 | 48% | 0.48 | 69% | 0.686 | S | S | . | * | trans | -71.5 | 113 | 169 | -71.4 | 0 | 0 | 0 | 0 | 108.2 | V96 N100 L101 | V96-C98 VanDerWaalsContact C-N 3.32Å; V96-C98 PolarHBondContact O-N 2.94Å; C98-N100 PolarHBondContact O-N 2.69Å; C98-L101 HydrophobicContact CB-CD1 4Å; C98-L101 PolarHBondContact O-N 3.17Å | ||
| 99 | E | 58.4 | Low | 57.9 | Low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -20 | -178.8 | -61.8 | -171.7 | 166.6 | 0 | 0 | 113.4 | K97 | K97-E99 PolarHBondContact O-N 3.4Š|
| 100 | N | 59.8 | Low | 58.7 | Low | 160 Ų | 160 | 132 Ų | 132 | 86% | 0.856 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 0 | -175.3 | -63.6 | -28.1 | 0 | 0 | 0 | 114.7 | C98 | C98-N100 PolarHBondContact O-N 2.69Š|
| 101 | L | 56.7 | Low | 59.3 | Low | 132 Ų | 132 | 128.1 Ų | 128.1 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -115.5 | 124 | 179.2 | -75.5 | 157.1 | 0 | 0 | 0 | 109.5 | C98 | C98-L101 HydrophobicContact CB-CD1 4Å; C98-L101 PolarHBondContact O-N 3.17Å |
| 102 | K | 62.1 | Low | 60.1 | Low | 193 Ų | 193 | 124.5 Ų | 124.5 | 84% | 0.839 | 64% | 0.636 | S | S | * | * | trans | -59.1 | 130 | 172.5 | -74.4 | -177.4 | 177.8 | 179.1 | 0 | 108.7 | I104 | K102-I104 PolarHBondContact O-N 3.08Š| ||
| 103 | P | 59.9 | Low | 60.5 | Low | 105 Ų | 105 | 125.6 Ų | 125.6 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | trans | -58.8 | 130.4 | 172.7 | 24.4 | -31.3 | 0 | 0 | 0 | 108.7 | E105 | P103-E105 PolarHBondContact O-N 2.97Š| ||
| 104 | I | 61.2 | Low | 61 | Low | 89 Ų | 89 | 127.7 Ų | 127.7 | 46% | 0.456 | 64% | 0.639 | S | S | . | * | trans | -76.2 | 109 | 173.4 | -60.9 | 171 | 0 | 0 | 0 | 105.9 | K102 D106 K109 I110 L113 | K102-I104 PolarHBondContact O-N 3.08Å; I104-D106 HydrophobicContact CG2-CB 4.5Å; I104-K109 HydrophobicContact CG2-CB 3.71Å; I104-K109 HydrophobicContact CG2-CD 4.08Å; I104-I110 HydrophobicContact CG2-CG1 4.37Å; I104-I110 WeakPolarHBondContact O-CD1 3.13Å; I104-L113 HydrophobicContact CD1-CD1 3.88Å | ||
| 105 | E | 65 | Low | 61.5 | Low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | trans | -87.4 | -16.7 | 179 | -58.8 | -154.3 | 163.4 | 0 | 0 | 113 | P103 E107 | P103-E105 PolarHBondContact O-N 2.97Å; E105-E107 PolarHBondContact O-N 3.39Å; E105-E107 VanDerWaalsContact O-N 3.1Å | ||
| 106 | D | 72.1 | Confident | 61.9 | Low | 79 Ų | 79 | 122.1 Ų | 122.1 | 42% | 0.422 | 62% | 0.622 | S | S | . | * | trans | -70.3 | 107.4 | -179.8 | -64.5 | -35.1 | 0 | 0 | 0 | 111 | I104 S108 K109 I110 | I104-D106 HydrophobicContact CG2-CB 4.5Å; D106-S108 PolarHBondContact O-N 3.19Å; D106-S108 VanDerWaalsContact O-N 3.14Å; D106-K109 HydrophobicContact CB-CB 4.16Å; D106-K109 HydrophobicContact CB-CD 3.99Å; D106-K109 HydrophobicContact CB-CG 4.02Å; D106-K109 PolarHBondContact O-N 3Å; D106-K109 WeakPolarHBondContact OD2-CE 3.26Å; D106-K109 IonicContact OD2-NZ 3.5Å; D106-K109 PolarHBondContact OD2-NZ 3.26Å; D106-I110 PolarHBondContact O-N 3.42Å; D106-I110 VanDerWaalsContact O-N 3.09Å | ||
| 107 | E | 69.6 | Low | 62 | Low | 157 Ų | 157 | 121.5 Ų | 121.5 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -53.3 | -36.4 | 178.8 | -64.3 | -170.3 | 161.1 | 0 | 0 | 112.6 | E105 K109 I110 Q111 | E105-E107 PolarHBondContact O-N 3.39Å; E105-E107 VanDerWaalsContact O-N 3.1Å; E107-K109 PolarHBondContact O-N 2.85Å; E107-I110 PolarHBondContact O-N 3.15Å; E107-Q111 WeakPolarHBondContact O-CB 3.15Å; E107-Q111 PolarHBondContact O-N 3.31Å |
| 108 | S | 72.3 | Confident | 62.2 | Low | 88 Ų | 88 | 115 Ų | 115 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.3 | -36.7 | 178.1 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | D106 Q111 S112 | D106-S108 PolarHBondContact O-N 3.19Å; D106-S108 VanDerWaalsContact O-N 3.14Å; S108-Q111 PolarHBondContact O-N 3.35Å; S108-S112 PolarHBondContact O-N 3.32Å; S108-S112 PolarHBondContact O-OG 3.44Å |
| 109 | K | 68.1 | Low | 62.4 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 47% | 0.47 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74.3 | -36.9 | 175.3 | -68.7 | 179.8 | -174.4 | 150.7 | 0 | 111.2 | I104 D106 E107 Q111 S112 L113 | I104-K109 HydrophobicContact CG2-CB 3.71Å; I104-K109 HydrophobicContact CG2-CD 4.08Å; D106-K109 HydrophobicContact CB-CB 4.16Å; D106-K109 HydrophobicContact CB-CD 3.99Å; D106-K109 HydrophobicContact CB-CG 4.02Å; D106-K109 PolarHBondContact O-N 3Å; D106-K109 WeakPolarHBondContact OD2-CE 3.26Å; D106-K109 IonicContact OD2-NZ 3.5Å; D106-K109 PolarHBondContact OD2-NZ 3.26Å; E107-K109 PolarHBondContact O-N 2.85Å; K109-Q111 VanDerWaalsContact C-N 3.27Å; K109-Q111 PolarHBondContact O-N 3.29Å; K109-S112 PolarHBondContact O-N 2.86Å; K109-S112 PolarHBondContact O-OG 2.71Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.31Å; K109-L113 PolarHBondContact O-N 3.05Å |
| 110 | I | 67.6 | Low | 62.1 | Low | 71 Ų | 71 | 118.2 Ų | 118.2 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.9 | -41.4 | 173.5 | -62.2 | 172.3 | 0 | 0 | 0 | 109.8 | I104 D106 E107 L113 R114 | I104-I110 HydrophobicContact CG2-CG1 4.37Å; I104-I110 WeakPolarHBondContact O-CD1 3.13Å; D106-I110 PolarHBondContact O-N 3.42Å; D106-I110 VanDerWaalsContact O-N 3.09Å; E107-I110 PolarHBondContact O-N 3.15Å; I110-L113 PolarHBondContact O-N 3.09Å; I110-R114 VanDerWaalsContact O-CG 3.26Å; I110-R114 WeakPolarHBondContact O-CG 3.39Å; I110-R114 PolarHBondContact O-N 3.21Å |
| 111 | Q | 65.5 | Low | 61.9 | Low | 122 Ų | 122 | 113.3 Ų | 113.3 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.2 | -43.6 | -179.4 | -144.7 | 149.3 | 3.6 | 0 | 0 | 111.9 | E107 S108 K109 L113 R114 D115 | E107-Q111 WeakPolarHBondContact O-CB 3.15Å; E107-Q111 PolarHBondContact O-N 3.31Å; S108-Q111 PolarHBondContact O-N 3.35Å; K109-Q111 VanDerWaalsContact C-N 3.27Å; K109-Q111 PolarHBondContact O-N 3.29Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; Q111-R114 WeakPolarHBondContact O-CB 3.37Å; Q111-R114 PolarHBondContact O-N 3.24Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; Q111-D115 PolarHBondContact O-N 3.2Å |
| 112 | S | 66.6 | Low | 61.4 | Low | 59 Ų | 59 | 109.7 Ų | 109.7 | 41% | 0.413 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.7 | -35.3 | 175.1 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | S108 K109 R114 D115 V116 | S108-S112 PolarHBondContact O-N 3.32Å; S108-S112 PolarHBondContact O-OG 3.44Å; K109-S112 PolarHBondContact O-N 2.86Å; K109-S112 PolarHBondContact O-OG 2.71Å; S112-R114 VanDerWaalsContact C-N 3.32Å; S112-R114 PolarHBondContact O-N 2.77Å; S112-D115 PolarHBondContact O-N 2.8Å; S112-V116 WeakPolarHBondContact O-CB 3.23Å; S112-V116 VanDerWaalsContact O-CG2 3.23Å; S112-V116 WeakPolarHBondContact O-CG2 3.31Å; S112-V116 PolarHBondContact O-N 3.15Å |
| 113 | L | 63.6 | Low | 60.8 | Low | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.5 | -30.3 | 173 | -74.3 | 167.6 | 0 | 0 | 0 | 112.9 | I104 K109 I110 Q111 V116 | I104-L113 HydrophobicContact CD1-CD1 3.88Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.31Å; K109-L113 PolarHBondContact O-N 3.05Å; I110-L113 PolarHBondContact O-N 3.09Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; L113-V116 CarbonylContact O-C 3.48Å |
| 114 | R | 62.4 | Low | 60.6 | Low | 161 Ų | 161 | 103.3 Ų | 103.3 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.1 | -36.2 | 173.8 | -69.7 | 170 | 94.5 | 168.1 | 8.1 | 111.7 | I110 Q111 S112 | I110-R114 VanDerWaalsContact O-CG 3.26Å; I110-R114 WeakPolarHBondContact O-CG 3.39Å; I110-R114 PolarHBondContact O-N 3.21Å; Q111-R114 WeakPolarHBondContact O-CB 3.37Å; Q111-R114 PolarHBondContact O-N 3.24Å; Q111-R114 VanDerWaalsContact O-N 3.11Å; S112-R114 VanDerWaalsContact C-N 3.32Å; S112-R114 PolarHBondContact O-N 2.77Å |
| 115 | D | 61.3 | Low | 60.3 | Low | 118 Ų | 118 | 105.9 Ų | 105.9 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -77.2 | -33.3 | 178.2 | -65.6 | -24.4 | 0 | 0 | 0 | 112.3 | Q111 S112 L117 | Q111-D115 PolarHBondContact O-N 3.2Å; S112-D115 PolarHBondContact O-N 2.8Å; D115-L117 VanDerWaalsContact C-N 3.28Å; D115-L117 PolarHBondContact O-N 3.13Å |
| 116 | V | 60.8 | Low | 59.7 | Low | 95 Ų | 95 | 108 Ų | 108 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | trans | -89 | 68 | 173.4 | -173 | 0 | 0 | 0 | 0 | 108.7 | S112 L113 P118 | S112-V116 WeakPolarHBondContact O-CB 3.23Å; S112-V116 VanDerWaalsContact O-CG2 3.23Å; S112-V116 WeakPolarHBondContact O-CG2 3.31Å; S112-V116 PolarHBondContact O-N 3.15Å; L113-V116 CarbonylContact O-C 3.48Å; V116-P118 WeakPolarHBondContact O-CD 2.98Å; V116-P118 VanDerWaalsContact O-N 3.17Å | ||
| 117 | L | 52.8 | Low | 58.7 | Low | 87 Ų | 87 | 106.9 Ų | 106.9 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | trans | -59.7 | 121 | 157.5 | -73.4 | 175.1 | 0 | 0 | 0 | 107.1 | V92 D115 L119 T123 | V92-L117 HydrophobicContact CG2-CD2 4.5Å; D115-L117 VanDerWaalsContact C-N 3.28Å; D115-L117 PolarHBondContact O-N 3.13Å; L117-L119 PolarHBondContact O-N 3.01Å; L117-T123 HydrophobicContact CB-CG2 4.48Å | ||
| 118 | P | 53.7 | Low | 57.8 | Low | 62 Ų | 62 | 103.6 Ų | 103.6 | 40% | 0.403 | 56% | 0.56 | S | S | . | * | trans | -56.1 | 132.6 | -172 | 20.9 | -32.4 | 0 | 0 | 0 | 109.1 | V116 Q120 S121 | V116-P118 WeakPolarHBondContact O-CD 2.98Å; V116-P118 VanDerWaalsContact O-N 3.17Å; P118-Q120 PolarHBondContact O-N 3.44Å; P118-S121 WeakPolarHBondContact O-CA 3.49Å; P118-S121 WeakPolarHBondContact O-CB 3.46Å; P118-S121 PolarHBondContact O-N 3.24Å; P118-S121 PolarHBondContact O-OG 3.34Å | ||
| 119 | L | 51.6 | Low | 57.2 | Low | 142 Ų | 142 | 106.9 Ų | 106.9 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -25.7 | 178.1 | -96.8 | 94.2 | 0 | 0 | 0 | 112.3 | L117 S121 G122 | L117-L119 PolarHBondContact O-N 3.01Å; L119-S121 PolarHBondContact O-N 3.39Å; L119-G122 PolarHBondContact O-N 3.12Å; L119-G122 VanDerWaalsContact O-N 3.16Å |
| 120 | Q | 52.7 | Low | 56.6 | Low | 188 Ų | 188 | 111 Ų | 111 | 88% | 0.879 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -25.3 | 173.4 | -64.5 | -62 | -52.2 | 0 | 0 | 112.7 | P118 G122 | P118-Q120 PolarHBondContact O-N 3.44Å; Q120-G122 PolarHBondContact O-N 3.21Å |
| 121 | S | 54.2 | Low | 56 | Low | 56 Ų | 56 | 111.3 Ų | 111.3 | 39% | 0.392 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | 42.7 | 169.8 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | P118 L119 T123 | P118-S121 WeakPolarHBondContact O-CA 3.49Å; P118-S121 WeakPolarHBondContact O-CB 3.46Å; P118-S121 PolarHBondContact O-N 3.24Å; P118-S121 PolarHBondContact O-OG 3.34Å; L119-S121 PolarHBondContact O-N 3.39Å; S121-T123 WeakPolarHBondContact O-CA 3.46Å; S121-T123 PolarHBondContact O-N 2.89Å |
| 122 | G | 46.8 | Very low | 55.6 | Low | 56 Ų | 56 | 112.5 Ų | 112.5 | 58% | 0.577 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 36.5 | 52.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L119 Q120 N124 | L119-G122 PolarHBondContact O-N 3.12Å; L119-G122 VanDerWaalsContact O-N 3.16Å; Q120-G122 PolarHBondContact O-N 3.21Å; G122-N124 PolarHBondContact O-N 3.01Å |
| 123 | T | 50.3 | Low | 55.2 | Low | 41 Ų | 41 | 112.6 Ų | 112.6 | 25% | 0.252 | 61% | 0.61 | S | S | . | * | trans | -69 | 111.7 | -163.5 | 65.9 | 0 | 0 | 0 | 0 | 109.5 | L117 S121 K125 | L117-T123 HydrophobicContact CB-CG2 4.48Å; S121-T123 WeakPolarHBondContact O-CA 3.46Å; S121-T123 PolarHBondContact O-N 2.89Å; T123-K125 PolarHBondContact O-N 3.22Å | ||
| 124 | N | 53.7 | Low | 54.9 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 66% | 0.663 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 31.5 | 177.6 | -76.8 | -22.5 | 0 | 0 | 0 | 113.3 | G122 F126 A127 | G122-N124 PolarHBondContact O-N 3.01Å; N124-F126 PolarHBondContact O-N 3.23Å; N124-A127 HydrophobicContact CB-CB 3.76Å; N124-A127 CarbonylContact O-C 3.53Å; N124-A127 PolarHBondContact O-N 3.36Å |
| 125 | K | 55.2 | Low | 54.7 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 62% | 0.622 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -30.9 | -179.3 | -74.8 | -174.9 | 179.8 | -177.6 | 0 | 112.1 | T123 | T123-K125 PolarHBondContact O-N 3.22Š|
| 126 | F | 52.5 | Low | 54.3 | Low | 208 Ų | 208 | 110.6 Ų | 110.6 | 91% | 0.912 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -104.2 | -9.4 | 175.3 | -53.5 | -69.5 | 0 | 0 | 0 | 113.9 | N124 S128 | N124-F126 PolarHBondContact O-N 3.23Å; F126-S128 PolarHBondContact O-N 3.02Å |
| 127 | A | 51.6 | Low | 54 | Low | 55 Ų | 55 | 109.4 Ų | 109.4 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | trans | -92.1 | 83.2 | 178 | 0 | 0 | 0 | 0 | 0 | 109.3 | N124 Q129 | N124-A127 HydrophobicContact CB-CB 3.76Å; N124-A127 CarbonylContact O-C 3.53Å; N124-A127 PolarHBondContact O-N 3.36Å; A127-Q129 PolarHBondContact O-N 2.89Å | ||
| 128 | S | 50.4 | Low | 54 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | trans | -63.9 | 119.3 | 170.7 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | F126 K130 | F126-S128 PolarHBondContact O-N 3.02Å; S128-K130 PolarHBondContact O-N 3.49Å; S128-K130 WeakPolarHBondContact OG-CB 3.34Å; S128-K130 PolarHBondContact OG-N 2.92Å; S128-K130 VanDerWaalsContact OG-N 3.14Å | ||
| 129 | Q | 60.7 | Low | 54.2 | Low | 157 Ų | 157 | 117 Ų | 117 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -68.6 | -5 | 167.3 | -164.9 | -179.6 | 38.6 | 0 | 0 | 112 | A127 G131 M132 | A127-Q129 PolarHBondContact O-N 2.89Å; Q129-G131 PolarHBondContact O-N 3.04Å; Q129-M132 HydrophobicContact CG-CB 4.05Å; Q129-M132 PolarHBondContact O-N 3.18Å | ||
| 130 | K | 54.7 | Low | 54.3 | Low | 195 Ų | 195 | 114.8 Ų | 114.8 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 107.7 | -178.1 | -152.9 | -177.8 | -165.2 | -175.6 | 0 | 109.1 | S128 | S128-K130 PolarHBondContact O-N 3.49Å; S128-K130 WeakPolarHBondContact OG-CB 3.34Å; S128-K130 PolarHBondContact OG-N 2.92Å; S128-K130 VanDerWaalsContact OG-N 3.14Å |
| 131 | G | 54.8 | Low | 54.5 | Low | 77 Ų | 77 | 112 Ų | 112 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.7 | -10.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q129 T133 | Q129-G131 PolarHBondContact O-N 3.04Å; G131-T133 PolarHBondContact O-N 3.22Å |
| 132 | M | 58.3 | Low | 54.2 | Low | 147 Ų | 147 | 113.8 Ų | 113.8 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | trans | -81.3 | 104 | 175.1 | -162.5 | 174.2 | -177 | 0 | 0 | 109.6 | Q129 | Q129-M132 HydrophobicContact CG-CB 4.05Å; Q129-M132 PolarHBondContact O-N 3.18Å | ||
| 133 | T | 57.4 | Low | 54.3 | Low | 61 Ų | 61 | 118.2 Ų | 118.2 | 37% | 0.374 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 134.7 | 171.1 | 43.7 | 0 | 0 | 0 | 0 | 109.5 | G131 | G131-T133 PolarHBondContact O-N 3.22Š|
| 134 | G | 56.7 | Low | 54 | Low | 44 Ų | 44 | 121.9 Ų | 121.9 | 45% | 0.454 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 154.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G136 C137 | G134-G136 PolarHBondContact O-N 3.31Å; G134-G136 VanDerWaalsContact O-N 3.15Å; G134-C137 WeakPolarHBondContact O-CB 3.45Å; G134-C137 PolarHBondContact O-N 3.07Å |
| 135 | F | 57.7 | Low | 53.7 | Low | 224 Ų | 224 | 121.6 Ų | 121.6 | 98% | 0.982 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 122.7 | 174.1 | -174.3 | -99.7 | 0 | 0 | 0 | 109.6 | ||
| 136 | G | 53.5 | Low | 53.1 | Low | 72 Ų | 72 | 122.6 Ų | 122.6 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.3 | -5.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G134 | G134-G136 PolarHBondContact O-N 3.31Å; G134-G136 VanDerWaalsContact O-N 3.15Å |
| 137 | C | 55.6 | Low | 52.7 | Low | 70 Ų | 70 | 116.9 Ų | 116.9 | 47% | 0.473 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 133.9 | 169.7 | -90.5 | 0 | 0 | 0 | 0 | 110.4 | G134 R139 | G134-C137 WeakPolarHBondContact O-CB 3.45Å; G134-C137 PolarHBondContact O-N 3.07Å; C137-R139 PolarHBondContact O-N 3.19Å |
| 138 | P | 52.9 | Low | 52.2 | Low | 123 Ų | 123 | 120.3 Ų | 120.3 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 123.6 | 171.8 | 25.1 | -31.5 | 0 | 0 | 0 | 108.8 | ||
| 139 | R | 56.4 | Low | 51.9 | Low | 186 Ų | 186 | 119 Ų | 119 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 126.5 | 171.4 | -62.9 | -171.9 | -179.6 | 99.7 | 0.8 | 107.4 | C137 V141 | C137-R139 PolarHBondContact O-N 3.19Å; R139-V141 VanDerWaalsContact C-N 3.32Å; R139-V141 PolarHBondContact O-N 2.73Å |
| 140 | D | 54.3 | Low | 51 | Low | 95 Ų | 95 | 115.9 Ų | 115.9 | 51% | 0.508 | 70% | 0.699 | S | S | . | * | trans | -72.9 | 92.5 | 175.4 | -137.1 | -8.1 | 0 | 0 | 0 | 107.2 | I142 K144 | D140-I142 PolarHBondContact O-N 3.25Å; D140-K144 VanDerWaalsContact OD2-CE 3.26Å; D140-K144 WeakPolarHBondContact OD2-CE 3.45Å; D140-K144 IonicContact OD2-NZ 2.98Å; D140-K144 PolarHBondContact OD2-NZ 3.47Å | ||
| 141 | V | 56.7 | Low | 50.6 | Low | 128 Ų | 128 | 111.8 Ų | 111.8 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -72.1 | -14.6 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | R139 N143 | R139-V141 VanDerWaalsContact C-N 3.32Å; R139-V141 PolarHBondContact O-N 2.73Å; V141-N143 PolarHBondContact O-N 3.03Å; V141-N143 VanDerWaalsContact O-N 3.17Å | ||
| 142 | I | 48.9 | Very low | 50.4 | Low | 94 Ų | 94 | 110.9 Ų | 110.9 | 48% | 0.482 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -75.7 | 109.9 | 174.9 | -55.2 | 175.8 | 0 | 0 | 0 | 106.6 | D140 K144 | D140-I142 PolarHBondContact O-N 3.25Å; I142-K144 PolarHBondContact O-N 3.18Å |
| 143 | N | 47.2 | Very low | 50.3 | Low | 149 Ų | 149 | 112.8 Ų | 112.8 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -54.2 | 85.8 | 165.6 | -71 | -20.6 | 0 | 0 | 0 | 108.3 | V141 T145 | V141-N143 PolarHBondContact O-N 3.03Å; V141-N143 VanDerWaalsContact O-N 3.17Å; N143-T145 PolarHBondContact O-N 3.07Å; N143-T145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | K | 45.2 | Very low | 50.3 | Low | 119 Ų | 119 | 114.4 Ų | 114.4 | 52% | 0.517 | 69% | 0.694 | S | S | . | * | trans | -69.5 | 110.6 | 170.2 | -76.1 | 179.4 | 179 | 158.9 | 0 | 105.5 | D140 I142 K146 | D140-K144 VanDerWaalsContact OD2-CE 3.26Å; D140-K144 WeakPolarHBondContact OD2-CE 3.45Å; D140-K144 IonicContact OD2-NZ 2.98Å; D140-K144 PolarHBondContact OD2-NZ 3.47Å; I142-K144 PolarHBondContact O-N 3.18Å; K144-K146 PolarHBondContact O-N 2.76Å | ||
| 145 | T | 46.6 | Very low | 50.8 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -58.9 | 1.1 | 171.6 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | N143 | N143-T145 PolarHBondContact O-N 3.07Å; N143-T145 VanDerWaalsContact O-N 3.08Å |
| 146 | K | 43.3 | Very low | 51.2 | Low | 165 Ų | 165 | 114.8 Ų | 114.8 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -130 | 114.9 | 178.9 | -65.7 | -168.7 | 176.8 | -174.3 | 0 | 112 | K144 T148 | K144-K146 PolarHBondContact O-N 2.76Å; K146-T148 PolarHBondContact O-N 2.85Å |
| 147 | G | 42.8 | Very low | 51.8 | Low | 88 Ų | 88 | 118.5 Ų | 118.5 | 91% | 0.907 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 86.1 | -3.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 148 | T | 42.5 | Very low | 52.2 | Low | 126 Ų | 126 | 121.6 Ų | 121.6 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -125.1 | 86.5 | 179.1 | -42.5 | 0 | 0 | 0 | 0 | 110.7 | K146 | K146-T148 PolarHBondContact O-N 2.85Š|
| 149 | G | 43.1 | Very low | 52.5 | Low | 63 Ų | 63 | 117.9 Ų | 117.9 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 100.7 | 61.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116 | T151 | G149-T151 VanDerWaalsContact C-N 3.25Å; G149-T151 PolarHBondContact O-N 3.07Å |
| 150 | G | 42.2 | Very low | 53.1 | Low | 91 Ų | 91 | 116.3 Ų | 116.3 | 94% | 0.938 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 70.8 | -11.5 | 144 | 0 | 0 | 0 | 0 | 0 | 119.7 | G152 | G150-G152 PolarHBondContact O-N 3.31Š|
| 151 | T | 45.8 | Very low | 53.5 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | trans | -86.1 | 106.6 | 171.1 | 31.9 | 0 | 0 | 0 | 0 | 108.6 | G149 | G149-T151 VanDerWaalsContact C-N 3.25Å; G149-T151 PolarHBondContact O-N 3.07Å | ||
| 152 | G | 51.1 | Low | 53.6 | Low | 59 Ų | 59 | 113.4 Ų | 113.4 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | trans | -56.8 | 176.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G150 I154 | G150-G152 PolarHBondContact O-N 3.31Å; G152-I154 PolarHBondContact O-N 3.2Å | ||
| 153 | E | 56.5 | Low | 54 | Low | 186 Ų | 186 | 115.7 Ų | 115.7 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | trans | -51.2 | 113.8 | 176.7 | -73.6 | -179.1 | 162 | 0 | 0 | 110.1 | ||||
| 154 | I | 57.9 | Low | 54.7 | Low | 96 Ų | 96 | 112 Ų | 112 | 49% | 0.492 | 67% | 0.671 | S | S | . | * | trans | -80.9 | 124.4 | 172.1 | -58.5 | 175.6 | 0 | 0 | 0 | 105.7 | G152 E156 K158 A159 | G152-I154 PolarHBondContact O-N 3.2Å; I154-E156 PolarHBondContact O-N 2.79Å; I154-K158 HydrophobicContact CG2-CB 3.64Å; I154-A159 HydrophobicContact CG2-CB 4.48Å | ||
| 155 | E | 67.7 | Low | 55.4 | Low | 122 Ų | 122 | 111 Ų | 111 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | trans | -49.4 | 131.5 | 171.7 | -172.7 | 170.3 | -157 | 0 | 0 | 110.5 | E157 K158 A159 | E155-E157 PolarHBondContact O-N 2.96Å; E155-K158 PolarHBondContact O-N 3.22Å; E155-A159 PolarHBondContact O-N 2.89Å | ||
| 156 | E | 64.4 | Low | 55.7 | Low | 153 Ų | 153 | 111.5 Ų | 111.5 | 72% | 0.715 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -55.2 | -30 | -170.3 | -73.4 | -170.8 | 165.3 | 0 | 0 | 113.2 | I154 A159 K160 | I154-E156 PolarHBondContact O-N 2.79Å; E156-A159 PolarHBondContact O-N 3.46Å; E156-K160 WeakPolarHBondContact O-CB 3.44Å; E156-K160 PolarHBondContact O-N 3.34Å |
| 157 | E | 66.8 | Low | 56.3 | Low | 151 Ų | 151 | 107.7 Ų | 107.7 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.6 | -41.1 | 175.2 | -71.1 | -166.9 | 159.2 | 0 | 0 | 112.7 | E155 K160 A161 | E155-E157 PolarHBondContact O-N 2.96Å; E157-K160 PolarHBondContact O-N 3.2Å; E157-A161 PolarHBondContact O-N 3.27Å |
| 158 | K | 64.9 | Low | 56.8 | Low | 135 Ų | 135 | 110.1 Ų | 110.1 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.2 | -36.2 | 177 | -69.4 | 179.7 | -176 | 169 | 0 | 111.5 | I154 E155 A161 T162 | I154-K158 HydrophobicContact CG2-CB 3.64Å; E155-K158 PolarHBondContact O-N 3.22Å; K158-A161 PolarHBondContact O-N 2.97Å; K158-T162 PolarHBondContact O-N 2.94Å |
| 159 | A | 58.8 | Low | 57.5 | Low | 44 Ų | 44 | 113 Ų | 113 | 36% | 0.364 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.1 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I154 E155 E156 A161 T162 D163 | I154-A159 HydrophobicContact CG2-CB 4.48Å; E155-A159 PolarHBondContact O-N 2.89Å; E156-A159 PolarHBondContact O-N 3.46Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 3.21Å; A159-T162 PolarHBondContact O-N 3.48Å; A159-T162 PolarHBondContact O-OG1 3.49Å; A159-D163 PolarHBondContact O-N 2.98Å |
| 160 | K | 67.6 | Low | 58.1 | Low | 154 Ų | 154 | 112.5 Ų | 112.5 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.4 | -37.3 | 172.6 | -81.8 | 179.9 | 177.7 | 171.9 | 0 | 112.9 | E156 E157 T162 D163 | E156-K160 WeakPolarHBondContact O-CB 3.44Å; E156-K160 PolarHBondContact O-N 3.34Å; E157-K160 PolarHBondContact O-N 3.2Å; K160-T162 PolarHBondContact O-N 2.93Å; K160-D163 VanDerWaalsContact O-CB 3.3Å; K160-D163 WeakPolarHBondContact O-CB 3.43Å; K160-D163 PolarHBondContact O-N 3.33Å; K160-D163 VanDerWaalsContact O-N 3.07Å |
| 161 | A | 63 | Low | 58.5 | Low | 72 Ų | 72 | 111 Ų | 111 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.2 | -27.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | E157 K158 A159 | E157-A161 PolarHBondContact O-N 3.27Å; K158-A161 PolarHBondContact O-N 2.97Å; A159-A161 VanDerWaalsContact C-N 3.34Å; A159-A161 PolarHBondContact O-N 3.21Å |
| 162 | T | 59.8 | Low | 58.8 | Low | 90 Ų | 90 | 108.6 Ų | 108.6 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -85.5 | -12.7 | 173.2 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | K158 A159 K160 G164 V165 | K158-T162 PolarHBondContact O-N 2.94Å; A159-T162 PolarHBondContact O-N 3.48Å; A159-T162 PolarHBondContact O-OG1 3.49Å; K160-T162 PolarHBondContact O-N 2.93Å; T162-G164 PolarHBondContact O-N 2.74Å; T162-V165 PolarHBondContact O-N 2.83Å |
| 163 | D | 56.9 | Low | 59.1 | Low | 141 Ų | 141 | 112 Ų | 112 | 75% | 0.754 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 117.6 | 176.1 | -160.3 | 11.6 | 0 | 0 | 0 | 109 | A159 K160 | A159-D163 PolarHBondContact O-N 2.98Å; K160-D163 VanDerWaalsContact O-CB 3.3Å; K160-D163 WeakPolarHBondContact O-CB 3.43Å; K160-D163 PolarHBondContact O-N 3.33Å; K160-D163 VanDerWaalsContact O-N 3.07Å |
| 164 | G | 61.3 | Low | 59.2 | Low | 71 Ų | 71 | 112.4 Ų | 112.4 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92 | -12.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T162 I166 | T162-G164 PolarHBondContact O-N 2.74Å; G164-I166 PolarHBondContact O-N 3.43Å; G164-I166 VanDerWaalsContact O-N 3.15Å |
| 165 | V | 61.1 | Low | 59.3 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 61% | 0.606 | 64% | 0.641 | S | S | * | * | trans | -86.1 | 84.9 | 171.2 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | T162 P167 | T162-V165 PolarHBondContact O-N 2.83Å; V165-P167 WeakPolarHBondContact O-CD 3.3Å | ||
| 166 | I | 53.3 | Low | 58.6 | Low | 126 Ų | 126 | 113.1 Ų | 113.1 | 65% | 0.646 | 64% | 0.64 | S | S | * | * | trans | -67.1 | 117 | 168.2 | -60.9 | 179.5 | 0 | 0 | 0 | 106.8 | G164 L168 A170 | G164-I166 PolarHBondContact O-N 3.43Å; G164-I166 VanDerWaalsContact O-N 3.15Å; I166-L168 PolarHBondContact O-N 3.23Å; I166-A170 HydrophobicContact CG2-CB 3.43Å; I166-A170 VanDerWaalsContact CG2-CB 3.43Å; I166-A170 WeakPolarHBondContact CG2-O 3.34Å | ||
| 167 | P | 55.1 | Low | 58 | Low | 85 Ų | 85 | 110.1 Ų | 110.1 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | trans | -56 | 135.4 | 177.5 | 22.3 | -31.6 | 0 | 0 | 0 | 108.3 | V165 Q169 A170 | V165-P167 WeakPolarHBondContact O-CD 3.3Å; P167-Q169 PolarHBondContact O-N 3.19Å; P167-A170 HydrophobicContact CG-CB 4.44Å; P167-A170 WeakPolarHBondContact O-CA 3.46Å; P167-A170 WeakPolarHBondContact O-CB 3.46Å; P167-A170 PolarHBondContact O-N 3.34Å | ||
| 168 | L | 54.3 | Low | 57.7 | Low | 140 Ų | 140 | 110.4 Ų | 110.4 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.6 | -25.1 | -178.8 | -101.9 | 126.8 | 0 | 0 | 0 | 114.3 | I166 A170 T172 | I166-L168 PolarHBondContact O-N 3.23Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-T172 HydrophobicContact CD2-CG2 3.69Å; L168-T172 HydrophobicContact CG-CG2 4.11Å |
| 169 | Q | 56 | Low | 57.2 | Low | 187 Ų | 187 | 108.1 Ų | 108.1 | 87% | 0.874 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -31 | 174.8 | -62.1 | -61.2 | -47.8 | 0 | 0 | 113.3 | P167 G171 | P167-Q169 PolarHBondContact O-N 3.19Å; Q169-G171 PolarHBondContact O-N 2.98Å |
| 170 | A | 55.7 | Low | 57.1 | Low | 52 Ų | 52 | 109.8 Ų | 109.8 | 43% | 0.43 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | 84.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | I166 P167 L168 T172 | I166-A170 HydrophobicContact CG2-CB 3.43Å; I166-A170 VanDerWaalsContact CG2-CB 3.43Å; I166-A170 WeakPolarHBondContact CG2-O 3.34Å; P167-A170 HydrophobicContact CG-CB 4.44Å; P167-A170 WeakPolarHBondContact O-CA 3.46Å; P167-A170 WeakPolarHBondContact O-CB 3.46Å; P167-A170 PolarHBondContact O-N 3.34Å; L168-A170 VanDerWaalsContact C-N 3.33Å; A170-T172 PolarHBondContact O-N 3.47Å; A170-T172 VanDerWaalsContact O-N 3.13Å |
| 171 | G | 50.3 | Low | 56.8 | Low | 59 Ų | 59 | 109.8 Ų | 109.8 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -23.4 | 109.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q169 N173 | Q169-G171 PolarHBondContact O-N 2.98Å; G171-N173 PolarHBondContact O-N 3.02Å; G171-N173 PolarHBondContact O-OD1 2.97Å |
| 172 | T | 51.9 | Low | 56.5 | Low | 57 Ų | 57 | 109.8 Ų | 109.8 | 35% | 0.35 | 66% | 0.662 | S | S | . | * | trans | -71.3 | 125 | 174.9 | 165.2 | 0 | 0 | 0 | 0 | 109.9 | L168 A170 K174 | L168-T172 HydrophobicContact CD2-CG2 3.69Å; L168-T172 HydrophobicContact CG-CG2 4.11Å; A170-T172 PolarHBondContact O-N 3.47Å; A170-T172 VanDerWaalsContact O-N 3.13Å; T172-K174 PolarHBondContact O-N 3.45Å; T172-K174 WeakPolarHBondContact OG1-CG 3.38Å; T172-K174 PolarHBondContact OG1-N 3.13Å | ||
| 173 | N | 58 | Low | 56.4 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -75.2 | -1.2 | 179.4 | -54.4 | -16.8 | 0 | 0 | 0 | 112.9 | G171 L175 A176 | G171-N173 PolarHBondContact O-N 3.02Å; G171-N173 PolarHBondContact O-OD1 2.97Å; N173-L175 PolarHBondContact O-N 3.15Å; N173-L175 VanDerWaalsContact O-N 3.11Å; N173-A176 HydrophobicContact CB-CB 4.34Å; N173-A176 PolarHBondContact O-N 3.13Å |
| 174 | K | 58.2 | Low | 56.3 | Low | 195 Ų | 195 | 111.9 Ų | 111.9 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -59.1 | -27.9 | -175.6 | -72.4 | -173 | 178.9 | -177.1 | 0 | 113.1 | T172 | T172-K174 PolarHBondContact O-N 3.45Å; T172-K174 WeakPolarHBondContact OG1-CG 3.38Å; T172-K174 PolarHBondContact OG1-N 3.13Å |
| 175 | L | 59.5 | Low | 55.9 | Low | 166 Ų | 166 | 112.3 Ų | 112.3 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -108 | -1.1 | 176.1 | -59.2 | 175.2 | 0 | 0 | 0 | 112.7 | N173 S177 | N173-L175 PolarHBondContact O-N 3.15Å; N173-L175 VanDerWaalsContact O-N 3.11Å; L175-S177 PolarHBondContact O-N 3.02Å; L175-S177 VanDerWaalsContact O-N 3.14Å |
| 176 | A | 53.9 | Low | 55.4 | Low | 67 Ų | 67 | 113.4 Ų | 113.4 | 55% | 0.554 | 67% | 0.674 | S | S | * | * | trans | -83.4 | 93.1 | 178 | 0 | 0 | 0 | 0 | 0 | 108.8 | N173 Q178 | N173-A176 HydrophobicContact CB-CB 4.34Å; N173-A176 PolarHBondContact O-N 3.13Å; A176-Q178 PolarHBondContact O-N 2.98Å | ||
| 177 | S | 50.8 | Low | 55.5 | Low | 91 Ų | 91 | 112.5 Ų | 112.5 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -65 | 127.9 | 168.6 | 172.1 | 0 | 0 | 0 | 0 | 110 | L175 A179 | L175-S177 PolarHBondContact O-N 3.02Å; L175-S177 VanDerWaalsContact O-N 3.14Å; S177-A179 PolarHBondContact O-N 3.49Å; S177-A179 WeakPolarHBondContact OG-CB 3.5Å; S177-A179 PolarHBondContact OG-N 3.21Å | ||
| 178 | Q | 61.1 | Low | 55.5 | Low | 157 Ų | 157 | 118.3 Ų | 118.3 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -72.9 | -6 | 168.9 | -167.9 | 176.6 | 13.9 | 0 | 0 | 111.9 | A176 G180 M181 | A176-Q178 PolarHBondContact O-N 2.98Å; Q178-G180 PolarHBondContact O-N 3.15Å; Q178-G180 VanDerWaalsContact O-N 3.13Å; Q178-M181 HydrophobicContact CG-CB 4.18Å; Q178-M181 PolarHBondContact O-N 3.41Å | ||
| 179 | A | 55.2 | Low | 55.5 | Low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 120.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S177 | S177-A179 PolarHBondContact O-N 3.49Å; S177-A179 WeakPolarHBondContact OG-CB 3.5Å; S177-A179 PolarHBondContact OG-N 3.21Å |
| 180 | G | 57 | Low | 55.5 | Low | 80 Ų | 80 | 112.7 Ų | 112.7 | 83% | 0.825 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.4 | -6.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q178 T182 | Q178-G180 PolarHBondContact O-N 3.15Å; Q178-G180 VanDerWaalsContact O-N 3.13Å; G180-T182 PolarHBondContact O-N 3Å |
| 181 | M | 60 | Low | 55.1 | Low | 153 Ų | 153 | 117 Ų | 117 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | trans | -73.7 | 113.2 | 169.5 | -96.7 | -170.4 | 174.5 | 0 | 0 | 110.3 | Q178 G183 | Q178-M181 HydrophobicContact CG-CB 4.18Å; Q178-M181 PolarHBondContact O-N 3.41Å; M181-G183 PolarHBondContact O-N 3.2Å | ||
| 182 | T | 58.1 | Low | 55 | Low | 73 Ų | 73 | 120.5 Ų | 120.5 | 45% | 0.448 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 128 | 168.9 | -7.5 | 0 | 0 | 0 | 0 | 108.4 | G180 M186 | G180-T182 PolarHBondContact O-N 3Å; T182-M186 HydrophobicContact CG2-CB 3.74Å |
| 183 | G | 57.4 | Low | 54.9 | Low | 43 Ų | 43 | 128.5 Ų | 128.5 | 44% | 0.443 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 151.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M181 G185 M186 | M181-G183 PolarHBondContact O-N 3.2Å; G183-G185 PolarHBondContact O-N 3.01Å; G183-M186 WeakPolarHBondContact O-CB 3.43Å; G183-M186 PolarHBondContact O-N 3.19Å |
| 184 | F | 54.8 | Low | 54.4 | Low | 231 Ų | 231 | 130.3 Ų | 130.3 | 100% | 1.013 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 125.6 | 174 | -101.6 | -86.8 | 0 | 0 | 0 | 110.3 | M186 | F184-M186 VanDerWaalsContact C-N 3.32Š|
| 185 | G | 53.3 | Low | 54.2 | Low | 81 Ų | 81 | 125.5 Ų | 125.5 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.5 | -7.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G183 | G183-G185 PolarHBondContact O-N 3.01Š|
| 186 | M | 50.7 | Low | 54.1 | Low | 122 Ų | 122 | 123.4 Ų | 123.4 | 60% | 0.601 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 130.8 | 171.6 | -69.1 | -63.1 | -73.6 | 0 | 0 | 109.7 | T182 G183 F184 R188 | T182-M186 HydrophobicContact CG2-CB 3.74Å; G183-M186 WeakPolarHBondContact O-CB 3.43Å; G183-M186 PolarHBondContact O-N 3.19Å; F184-M186 VanDerWaalsContact C-N 3.32Å; M186-R188 PolarHBondContact O-N 3.1Å; M186-R188 VanDerWaalsContact O-N 3.11Å |
| 187 | P | 53.5 | Low | 54.3 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.3 | 170.2 | 24.1 | -30.1 | 0 | 0 | 0 | 107.5 | S189 | P187-S189 PolarHBondContact O-N 3.15Š|
| 188 | R | 56.1 | Low | 54.4 | Low | 206 Ų | 206 | 127.4 Ų | 127.4 | 78% | 0.777 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118.7 | 166 | -68.1 | -173.9 | -173.7 | 122.3 | 1.5 | 105.6 | M186 V190 | M186-R188 PolarHBondContact O-N 3.1Å; M186-R188 VanDerWaalsContact O-N 3.11Å; R188-V190 PolarHBondContact O-N 3.1Å |
| 189 | S | 54.3 | Low | 54.2 | Low | 91 Ų | 91 | 125.1 Ų | 125.1 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -60.5 | 96.5 | 170.1 | 173.1 | 0 | 0 | 0 | 0 | 106.9 | P187 L191 | P187-S189 PolarHBondContact O-N 3.15Å; S189-L191 PolarHBondContact O-N 2.91Å; S189-L191 VanDerWaalsContact OG-CB 3.3Å; S189-L191 WeakPolarHBondContact OG-CB 3.43Å; S189-L191 WeakPolarHBondContact OG-CG 3.25Å; S189-L191 PolarHBondContact OG-N 3.18Å | ||
| 190 | V | 54.8 | Low | 54.4 | Low | 118 Ų | 118 | 131.7 Ų | 131.7 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | -75.2 | 61.3 | 157.7 | -165.3 | 0 | 0 | 0 | 0 | 104.6 | R188 H192 | R188-V190 PolarHBondContact O-N 3.1Å; V190-H192 VanDerWaalsContact C-N 3.27Å; V190-H192 PolarHBondContact O-N 3.11Å | ||
| 191 | L | 47.8 | Very low | 54.6 | Low | 143 Ų | 143 | 135.8 Ų | 135.8 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | -54.9 | 108.6 | 169.9 | -126.6 | 157.3 | 0 | 0 | 0 | 103.3 | S189 R193 | S189-L191 PolarHBondContact O-N 2.91Å; S189-L191 VanDerWaalsContact OG-CB 3.3Å; S189-L191 WeakPolarHBondContact OG-CB 3.43Å; S189-L191 WeakPolarHBondContact OG-CG 3.25Å; S189-L191 PolarHBondContact OG-N 3.18Å; L191-R193 PolarHBondContact O-N 3.44Å | ||
| 192 | H | 48.7 | Very low | 54.5 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 62% | 0.616 | 67% | 0.674 | S | S | * | * | trans | -49.7 | 104.3 | -169.2 | -63.5 | -77.9 | 0 | 0 | 0 | 107.1 | V190 F194 | V190-H192 VanDerWaalsContact C-N 3.27Å; V190-H192 PolarHBondContact O-N 3.11Å; H192-F194 HydrophobicContact CB-CD2 3.37Å; H192-F194 HydrophobicContact CB-CE2 3.45Å; H192-F194 VanDerWaalsContact CB-CE2 3.45Å; H192-F194 HydrophobicContact CB-CG 4.01Å; H192-F194 HydrophobicContact CB-CZ 4.16Å; H192-F194 AromaticContact CG-CE2 3.92Å; H192-F194 PolarHBondContact O-N 3.11Å | ||
| 193 | R | 49.3 | Very low | 54.3 | Low | 224 Ų | 224 | 134.4 Ų | 134.4 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | trans | -61.4 | 88 | 143.1 | -67.2 | -175.9 | -169.1 | 145.7 | 0.8 | 102.5 | L191 N195 | L191-R193 PolarHBondContact O-N 3.44Å; R193-N195 PolarHBondContact O-N 2.98Å | ||
| 194 | F | 47.8 | Very low | 54.2 | Low | 169 Ų | 169 | 134.7 Ų | 134.7 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | -61.6 | 84.5 | 166.7 | -88.1 | -82.4 | 0 | 0 | 0 | 104.2 | H192 P196 | H192-F194 HydrophobicContact CB-CD2 3.37Å; H192-F194 HydrophobicContact CB-CE2 3.45Å; H192-F194 VanDerWaalsContact CB-CE2 3.45Å; H192-F194 HydrophobicContact CB-CG 4.01Å; H192-F194 HydrophobicContact CB-CZ 4.16Å; H192-F194 AromaticContact CG-CE2 3.92Å; H192-F194 PolarHBondContact O-N 3.11Å; F194-P196 WeakPolarHBondContact O-CD 3.27Å | ||
| 195 | N | 53.4 | Low | 54.2 | Low | 93 Ų | 93 | 131 Ų | 131 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | trans | -78 | 103.8 | 158.6 | -73.1 | -5.7 | 0 | 0 | 0 | 102.9 | R193 D197 Q198 | R193-N195 PolarHBondContact O-N 2.98Å; N195-D197 PolarHBondContact O-N 3.21Å; N195-Q198 HydrophobicContact CB-CG 3.77Å; N195-Q198 PolarHBondContact O-N 3.14Å | ||
| 196 | P | 58.1 | Low | 54.1 | Low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -17.2 | -178.3 | 24.5 | -34.3 | 0 | 0 | 0 | 112.4 | F194 Q198 | F194-P196 WeakPolarHBondContact O-CD 3.27Å; P196-Q198 VanDerWaalsContact C-N 3.35Å |
| 197 | D | 58.5 | Low | 54.2 | Low | 137 Ų | 137 | 131.6 Ų | 131.6 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 2.9 | 177.9 | -59.5 | -32.2 | 0 | 0 | 0 | 114.9 | N195 D199 | N195-D197 PolarHBondContact O-N 3.21Å; D197-D199 PolarHBondContact O-N 3.3Å; D197-D199 VanDerWaalsContact O-N 3.13Å |
| 198 | Q | 52.5 | Low | 54.2 | Low | 105 Ų | 105 | 134.3 Ų | 134.3 | 49% | 0.491 | 67% | 0.666 | S | S | . | * | trans | -82.2 | 86.9 | 174.6 | -72 | -69.6 | -60.8 | 0 | 0 | 110.4 | N195 P196 S202 | N195-Q198 HydrophobicContact CB-CG 3.77Å; N195-Q198 PolarHBondContact O-N 3.14Å; P196-Q198 VanDerWaalsContact C-N 3.35Å; Q198-S202 PolarHBondContact OE1-OG 3.36Å | ||
| 199 | D | 57.6 | Low | 54.2 | Low | 109 Ų | 109 | 133.8 Ų | 133.8 | 58% | 0.583 | 67% | 0.672 | S | S | * | * | trans | -65 | 153.1 | 172.1 | -166.1 | 3.6 | 0 | 0 | 0 | 111 | D197 Q201 S202 | D197-D199 PolarHBondContact O-N 3.3Å; D197-D199 VanDerWaalsContact O-N 3.13Å; D199-Q201 PolarHBondContact O-N 3.35Å; D199-S202 PolarHBondContact O-N 2.96Å; D199-S202 PolarHBondContact O-OG 3.18Å | ||
| 200 | R | 59 | Low | 54.2 | Low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -21.2 | 178.6 | 178.8 | 174.3 | 156.1 | 177.4 | -6 | 112.7 | ||
| 201 | Q | 61.1 | Low | 54.1 | Low | 166 Ų | 166 | 129.3 Ų | 129.3 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -28.8 | 173.5 | -60.6 | -138 | -4.5 | 0 | 0 | 113.8 | D199 Q203 G204 | D199-Q201 PolarHBondContact O-N 3.35Å; Q201-Q203 VanDerWaalsContact C-N 3.35Å; Q201-G204 PolarHBondContact O-N 3.33Å |
| 202 | S | 57.3 | Low | 54.3 | Low | 45 Ų | 45 | 125.8 Ų | 125.8 | 32% | 0.315 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -72.7 | -28.8 | 177.5 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | Q198 D199 G204 F205 | Q198-S202 PolarHBondContact OE1-OG 3.36Å; D199-S202 PolarHBondContact O-N 2.96Å; D199-S202 PolarHBondContact O-OG 3.18Å; S202-G204 PolarHBondContact O-N 3.19Å; S202-G204 VanDerWaalsContact O-N 3.07Å; S202-F205 PolarHBondContact O-N 2.73Å |
| 203 | Q | 54.1 | Low | 54.7 | Low | 153 Ų | 153 | 126 Ų | 126 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -59.2 | -18.7 | 173.6 | -68.7 | -87.7 | -12.6 | 0 | 0 | 113 | Q201 | Q201-Q203 VanDerWaalsContact C-N 3.35Š|
| 204 | G | 55 | Low | 55.2 | Low | 49 Ų | 49 | 123.4 Ų | 123.4 | 51% | 0.505 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -94.7 | -15.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q201 S202 V206 | Q201-G204 PolarHBondContact O-N 3.33Å; S202-G204 PolarHBondContact O-N 3.19Å; S202-G204 VanDerWaalsContact O-N 3.07Å; G204-V206 PolarHBondContact O-N 2.77Å |
| 205 | F | 55.6 | Low | 55.8 | Low | 154 Ų | 154 | 123 Ų | 123 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | trans | -96.1 | 64.3 | -173.4 | -154.7 | -93.1 | 0 | 0 | 0 | 111.2 | S202 H207 | S202-F205 PolarHBondContact O-N 2.73Å; F205-H207 AromaticContact CE1-ND1 3.97Å; F205-H207 PolarHBondContact O-N 2.8Å | ||
| 206 | V | 52 | Low | 55.9 | Low | 83 Ų | 83 | 121.9 Ų | 121.9 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | trans | -76.2 | 113.6 | 163.2 | -178.6 | 0 | 0 | 0 | 0 | 106 | G204 L208 A210 | G204-V206 PolarHBondContact O-N 2.77Å; V206-L208 PolarHBondContact O-N 2.79Å; V206-A210 HydrophobicContact CG1-CB 3.3Å; V206-A210 VanDerWaalsContact CG1-O 3.23Å; V206-A210 WeakPolarHBondContact CG1-O 3.4Å | ||
| 207 | H | 52 | Low | 55.6 | Low | 132 Ų | 132 | 121.3 Ų | 121.3 | 61% | 0.611 | 65% | 0.646 | S | S | * | * | trans | -44.9 | 133.1 | 174.3 | -68.7 | -83.9 | 0 | 0 | 0 | 109.1 | F205 Q209 A210 | F205-H207 AromaticContact CE1-ND1 3.97Å; F205-H207 PolarHBondContact O-N 2.8Å; H207-Q209 PolarHBondContact O-N 2.79Å; H207-A210 PolarHBondContact O-N 3.42Å | ||
| 208 | L | 52.8 | Low | 55.7 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | -23.2 | -176.7 | -114.1 | 101.7 | 0 | 0 | 0 | 114.2 | V206 A210 | V206-L208 PolarHBondContact O-N 2.79Å; L208-A210 VanDerWaalsContact C-N 3.34Å |
| 209 | Q | 56.2 | Low | 55.7 | Low | 195 Ų | 195 | 126 Ų | 126 | 91% | 0.911 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -33.5 | 174.4 | -168.5 | -178.3 | -50.9 | 0 | 0 | 113.4 | H207 G211 | H207-Q209 PolarHBondContact O-N 2.79Å; Q209-G211 PolarHBondContact O-N 3.23Å |
| 210 | A | 55.3 | Low | 55.6 | Low | 54 Ų | 54 | 124.5 Ų | 124.5 | 45% | 0.446 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -84.9 | 91 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | V206 H207 L208 T212 | V206-A210 HydrophobicContact CG1-CB 3.3Å; V206-A210 VanDerWaalsContact CG1-O 3.23Å; V206-A210 WeakPolarHBondContact CG1-O 3.4Å; H207-A210 PolarHBondContact O-N 3.42Å; L208-A210 VanDerWaalsContact C-N 3.34Å; A210-T212 PolarHBondContact O-N 2.91Å |
| 211 | G | 51 | Low | 55.5 | Low | 60 Ų | 60 | 121 Ų | 121 | 62% | 0.619 | 67% | 0.67 | S | S | * | * | trans | -38.3 | 111.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q209 N213 | Q209-G211 PolarHBondContact O-N 3.23Å; G211-N213 PolarHBondContact O-N 2.78Å | ||
| 212 | T | 52.7 | Low | 55.2 | Low | 70 Ų | 70 | 116.4 Ų | 116.4 | 43% | 0.429 | 65% | 0.653 | S | S | . | * | trans | -75.1 | 124.2 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | A210 K214 | A210-T212 PolarHBondContact O-N 2.91Å; T212-K214 PolarHBondContact O-N 3.27Å | ||
| 213 | N | 57.9 | Low | 55.1 | Low | 137 Ų | 137 | 118 Ų | 118 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -76 | 1.8 | 179.3 | -62.9 | -27.3 | 0 | 0 | 0 | 113.1 | G211 L215 A216 | G211-N213 PolarHBondContact O-N 2.78Å; N213-L215 PolarHBondContact O-N 3.11Å; N213-L215 VanDerWaalsContact O-N 3.09Å; N213-A216 HydrophobicContact CB-CB 4.43Å; N213-A216 PolarHBondContact O-N 3.07Å |
| 214 | K | 59.1 | Low | 55.5 | Low | 170 Ų | 170 | 121.2 Ų | 121.2 | 74% | 0.739 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -57.7 | -28.2 | -175 | -77.1 | -177.2 | 178.7 | 177.4 | 0 | 113.6 | T212 | T212-K214 PolarHBondContact O-N 3.27Š|
| 215 | L | 60.5 | Low | 55.4 | Low | 161 Ų | 161 | 122.4 Ų | 122.4 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -112.6 | 3.7 | 179.1 | -58.3 | 176 | 0 | 0 | 0 | 112.9 | N213 T217 | N213-L215 PolarHBondContact O-N 3.11Å; N213-L215 VanDerWaalsContact O-N 3.09Å; L215-T217 PolarHBondContact O-N 3.04Å |
| 216 | A | 55.7 | Low | 55.1 | Low | 69 Ų | 69 | 117.3 Ų | 117.3 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | trans | -81.7 | 99.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | N213 | N213-A216 HydrophobicContact CB-CB 4.43Å; N213-A216 PolarHBondContact O-N 3.07Å | ||
| 217 | T | 52.6 | Low | 55 | Low | 109 Ų | 109 | 118.5 Ų | 118.5 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | trans | -71.8 | 128.3 | 171.9 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | L215 Q219 | L215-T217 PolarHBondContact O-N 3.04Å; T217-Q219 PolarHBondContact O-N 3.31Å; T217-Q219 VanDerWaalsContact O-N 3.13Å | ||
| 218 | Q | 60 | Low | 54.9 | Low | 161 Ų | 161 | 121.3 Ų | 121.3 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -65.9 | -9.9 | 173.8 | -167.9 | 179.1 | 28.8 | 0 | 0 | 112.9 | G220 M221 | Q218-G220 PolarHBondContact O-N 2.99Å; Q218-G220 VanDerWaalsContact O-N 3.15Å; Q218-M221 HydrophobicContact CG-CB 4.32Å; Q218-M221 PolarHBondContact O-N 3.4Å | ||
| 219 | Q | 51.4 | Low | 54.7 | Low | 179 Ų | 179 | 119.1 Ų | 119.1 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 121 | 178.5 | -69.8 | -159.7 | -21.5 | 0 | 0 | 110.7 | T217 | T217-Q219 PolarHBondContact O-N 3.31Å; T217-Q219 VanDerWaalsContact O-N 3.13Å |
| 220 | G | 56 | Low | 54.4 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 81% | 0.814 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.3 | -6.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q218 T222 | Q218-G220 PolarHBondContact O-N 2.99Å; Q218-G220 VanDerWaalsContact O-N 3.15Å; G220-T222 PolarHBondContact O-N 3.27Å; G220-T222 VanDerWaalsContact O-N 3.12Å |
| 221 | M | 56.5 | Low | 54.1 | Low | 151 Ų | 151 | 118.6 Ų | 118.6 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | trans | -72.2 | 107.3 | 169.2 | -83.8 | -173.7 | 79.8 | 0 | 0 | 110 | Q218 | Q218-M221 HydrophobicContact CG-CB 4.32Å; Q218-M221 PolarHBondContact O-N 3.4Å | ||
| 222 | T | 55.5 | Low | 53.8 | Low | 69 Ų | 69 | 119.3 Ų | 119.3 | 42% | 0.423 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 133.1 | 166 | -8.7 | 0 | 0 | 0 | 0 | 108.6 | G220 | G220-T222 PolarHBondContact O-N 3.27Å; G220-T222 VanDerWaalsContact O-N 3.12Å |
| 223 | S | 56 | Low | 53.4 | Low | 78 Ų | 78 | 125.1 Ų | 125.1 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 151.2 | 178.4 | 68 | 0 | 0 | 0 | 0 | 110.9 | G225 S226 | S223-G225 PolarHBondContact O-N 3.44Å; S223-S226 WeakPolarHBondContact O-CB 3.49Å; S223-S226 PolarHBondContact O-N 3.04Å; S223-S226 PolarHBondContact OG-OG 2.94Å |
| 224 | F | 61.4 | Low | 52.9 | Low | 220 Ų | 220 | 125.6 Ų | 125.6 | 97% | 0.965 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 123.7 | 172.9 | -175.1 | -97.6 | 0 | 0 | 0 | 109.7 | ||
| 225 | G | 52.6 | Low | 52.1 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.3 | -5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S223 | S223-G225 PolarHBondContact O-N 3.44Š|
| 226 | S | 49.5 | Very low | 51.3 | Low | 47 Ų | 47 | 122 Ų | 122 | 33% | 0.329 | 67% | 0.666 | S | S | . | * | trans | -69.7 | 135.9 | 172.1 | -75.8 | 0 | 0 | 0 | 0 | 111.3 | S223 R228 | S223-S226 WeakPolarHBondContact O-CB 3.49Å; S223-S226 PolarHBondContact O-N 3.04Å; S223-S226 PolarHBondContact OG-OG 2.94Å; S226-R228 PolarHBondContact O-N 3.24Å | ||
| 227 | P | 50.8 | Low | 51.5 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | trans | -61.7 | 122 | 176.5 | 22.9 | -30.2 | 0 | 0 | 0 | 110 | T229 | P227-T229 PolarHBondContact O-N 3.28Š| ||
| 228 | R | 48.3 | Very low | 51.7 | Low | 191 Ų | 191 | 128 Ų | 128 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -83.1 | 109.2 | 170.8 | -74 | -174.1 | 160.6 | 121.2 | -0.2 | 108.2 | S226 N230 | S226-R228 PolarHBondContact O-N 3.24Å; R228-N230 PolarHBondContact O-N 3.05Å | ||
| 229 | T | 49.3 | Very low | 51.2 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | trans | -73.1 | 96.8 | 165.7 | 50.8 | 0 | 0 | 0 | 0 | 107.3 | P227 V231 | P227-T229 PolarHBondContact O-N 3.28Å; T229-V231 PolarHBondContact O-N 2.7Å | ||
| 230 | N | 49.6 | Very low | 51.2 | Low | 138 Ų | 138 | 122.8 Ų | 122.8 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | trans | -69.7 | 71.8 | 166.2 | -78.7 | -17 | 0 | 0 | 0 | 107.9 | R228 T232 | R228-N230 PolarHBondContact O-N 3.05Å; N230-T232 PolarHBondContact O-N 3.33Å | ||
| 231 | V | 49.5 | Very low | 50.9 | Low | 99 Ų | 99 | 127 Ų | 127 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | trans | -79.7 | 79 | 168.9 | -160.3 | 0 | 0 | 0 | 0 | 105.8 | T229 K233 | T229-V231 PolarHBondContact O-N 2.7Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 HydrophobicContact CG1-CG 4.41Å; V231-K233 PolarHBondContact O-N 2.99Å | ||
| 232 | T | 45 | Very low | 50.6 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 46% | 0.46 | 65% | 0.65 | S | S | . | * | trans | -70.8 | 98.6 | 174.6 | -34.7 | 0 | 0 | 0 | 0 | 107.2 | N230 Y234 | N230-T232 PolarHBondContact O-N 3.33Å; T232-Y234 VanDerWaalsContact C-N 3.3Å; T232-Y234 VanDerWaalsContact CB-CE2 3.47Å; T232-Y234 VanDerWaalsContact CB-OH 3.27Å; T232-Y234 WeakPolarHBondContact CB-OH 3.12Å; T232-Y234 HydrophobicContact CG2-CD1 3.78Å; T232-Y234 HydrophobicContact CG2-CD2 4.37Å; T232-Y234 HydrophobicContact CG2-CE1 3.14Å; T232-Y234 HydrophobicContact CG2-CE2 3.82Å; T232-Y234 HydrophobicContact CG2-CG 4.36Å; T232-Y234 VanDerWaalsContact CG2-OH 3.32Å; T232-Y234 WeakPolarHBondContact CG2-OH 3.44Å; T232-Y234 VanDerWaalsContact O-CD2 3.25Å; T232-Y234 WeakPolarHBondContact O-CD2 3.38Å; T232-Y234 WeakPolarHBondContact O-CE2 3.37Å; T232-Y234 PolarHBondContact O-N 3.13Å; T232-Y234 PolarHBondContact OG1-OH 3.45Å | ||
| 233 | K | 44.8 | Very low | 50.4 | Low | 192 Ų | 192 | 125.2 Ų | 125.2 | 84% | 0.835 | 67% | 0.666 | S | S | * | * | trans | -75.2 | 86.4 | 173.9 | -61.7 | -174.2 | -177.4 | -172.1 | 0 | 108 | V231 | V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 HydrophobicContact CG1-CG 4.41Å; V231-K233 PolarHBondContact O-N 2.99Å | ||
| 234 | Y | 46.3 | Very low | 50 | Low | 148 Ų | 148 | 128.6 Ų | 128.6 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | trans | -78.1 | 123 | 166.8 | -42.5 | -82 | 0 | 0 | 0 | 107.7 | T232 V248 | T232-Y234 VanDerWaalsContact C-N 3.3Å; T232-Y234 VanDerWaalsContact CB-CE2 3.47Å; T232-Y234 VanDerWaalsContact CB-OH 3.27Å; T232-Y234 WeakPolarHBondContact CB-OH 3.12Å; T232-Y234 HydrophobicContact CG2-CD1 3.78Å; T232-Y234 HydrophobicContact CG2-CD2 4.37Å; T232-Y234 HydrophobicContact CG2-CE1 3.14Å; T232-Y234 HydrophobicContact CG2-CE2 3.82Å; T232-Y234 HydrophobicContact CG2-CG 4.36Å; T232-Y234 VanDerWaalsContact CG2-OH 3.32Å; T232-Y234 WeakPolarHBondContact CG2-OH 3.44Å; T232-Y234 VanDerWaalsContact O-CD2 3.25Å; T232-Y234 WeakPolarHBondContact O-CD2 3.38Å; T232-Y234 WeakPolarHBondContact O-CE2 3.37Å; T232-Y234 PolarHBondContact O-N 3.13Å; T232-Y234 PolarHBondContact OG1-OH 3.45Å; Y234-V248 HydrophobicContact CD2-CG1 4.1Å; Y234-V248 HydrophobicContact CE2-CG1 3.47Å; Y234-V248 VanDerWaalsContact CE2-CG1 3.47Å | ||
| 235 | K | 42.9 | Very low | 49.3 | Very low | 175 Ų | 175 | 121.6 Ų | 121.6 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | trans | -95.6 | 102.7 | 174 | -148.2 | 178.1 | -169.9 | -179.9 | 0 | 107.2 | ||||
| 236 | D | 43.8 | Very low | 48.9 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 43% | 0.433 | 64% | 0.638 | S | S | . | * | B | Isolated β-bridge | trans | -80.4 | 128.7 | 171.5 | -172.8 | 5 | 0 | 0 | 0 | 108.9 | Q238 G240 | D236-Q238 PolarHBondContact O-N 2.98Å; D236-Q238 PolarHBondContact OD1-N 3.05Å; D236-G240 PolarHBondContact O-N 3.47Å |
| 237 | S | 60.1 | Low | 48.9 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 85% | 0.846 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -20.2 | -175 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 238 | Q | 57 | Low | 48.7 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -31.1 | 179.4 | -63.5 | -159.7 | -12.1 | 0 | 0 | 114.1 | D236 | D236-Q238 PolarHBondContact O-N 2.98Å; D236-Q238 PolarHBondContact OD1-N 3.05Å |
| 239 | R | 48.1 | Very low | 48.3 | Very low | 191 Ų | 191 | 118.7 Ų | 118.7 | 72% | 0.721 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 0.1 | -171.4 | -115.1 | 173.8 | 179.5 | 135.6 | -0.7 | 115.5 | M242 | R239-M242 HydrophobicContact CB-CG 4.12Å; R239-M242 HydrophobicContact CB-SD 4.35Å; R239-M242 HydrophobicContact CG-SD 4.36Å |
| 240 | G | 51.6 | Low | 47.9 | Very low | 39 Ų | 39 | 116.8 Ų | 116.8 | 40% | 0.402 | 62% | 0.617 | S | S | . | * | B | Isolated β-bridge | trans | 68.1 | -162.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D236 M242 | D236-G240 PolarHBondContact O-N 3.47Å; G240-M242 PolarHBondContact O-N 3.36Å |
| 241 | E | 50.6 | Low | 47.7 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -69 | 96.7 | 174.6 | -66 | -174.8 | 179.1 | 0 | 0 | 108.9 | A243 | E241-A243 PolarHBondContact O-N 3.14Å; E241-A243 VanDerWaalsContact O-N 3.11Å |
| 242 | M | 49.1 | Very low | 47.5 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 44% | 0.443 | 63% | 0.629 | S | S | . | * | trans | -64.1 | 113.7 | 174.8 | -80.1 | -101.7 | -79.4 | 0 | 0 | 109 | R239 G240 N244 D245 | R239-M242 HydrophobicContact CB-CG 4.12Å; R239-M242 HydrophobicContact CB-SD 4.35Å; R239-M242 HydrophobicContact CG-SD 4.36Å; G240-M242 PolarHBondContact O-N 3.36Å; M242-N244 PolarHBondContact O-N 2.59Å; M242-D245 HydrophobicContact CE-CB 3.74Å; M242-D245 WeakPolarHBondContact CE-OD2 3.37Å | ||
| 243 | A | 52.3 | Low | 47.4 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 63% | 0.633 | S | S | * | * | trans | -61.8 | 104.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | E241 D245 | E241-A243 PolarHBondContact O-N 3.14Å; E241-A243 VanDerWaalsContact O-N 3.11Å; A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 3.31Å | ||
| 244 | N | 47.6 | Very low | 47.2 | Very low | 148 Ų | 148 | 117.9 Ų | 117.9 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | 39.2 | 56 | 163.3 | -54.6 | -41.2 | 0 | 0 | 0 | 114.2 | M242 E246 | M242-N244 PolarHBondContact O-N 2.59Å; N244-E246 PolarHBondContact O-N 3.32Å | ||
| 245 | D | 46.6 | Very low | 46.8 | Very low | 73 Ų | 73 | 112.3 Ų | 112.3 | 39% | 0.39 | 60% | 0.596 | S | S | . | * | trans | -69.2 | 100 | 171.1 | -169.3 | -16 | 0 | 0 | 0 | 107.8 | M242 A243 S247 V248 | M242-D245 HydrophobicContact CE-CB 3.74Å; M242-D245 WeakPolarHBondContact CE-OD2 3.37Å; A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 3.31Å; D245-S247 PolarHBondContact O-N 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.09Å; D245-S247 PolarHBondContact OD1-N 3.48Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 PolarHBondContact OD2-OG 2.83Å; D245-V248 PolarHBondContact O-N 3.36Å; D245-V248 VanDerWaalsContact O-N 3.13Å | ||
| 246 | E | 44.4 | Very low | 46.9 | Very low | 112 Ų | 112 | 112.6 Ų | 112.6 | 52% | 0.523 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -59.7 | -12.4 | -176.1 | -66.9 | -166.8 | 160.8 | 0 | 0 | 112.9 | N244 V248 I249 K257 | N244-E246 PolarHBondContact O-N 3.32Å; E246-V248 PolarHBondContact O-N 3.5Å; E246-I249 HydrophobicContact CB-CD1 4.17Å; E246-I249 HydrophobicContact CG-CD1 4.24Å; E246-I249 PolarHBondContact O-N 3Å; E246-K257 IonicContact OE1-NZ 3.2Å; E246-K257 IonicContact OE2-NZ 2.69Å; E246-K257 PolarHBondContact OE2-NZ 3.31Å |
| 247 | S | 48.5 | Very low | 47 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -66.2 | -19.1 | 174.9 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | D245 | D245-S247 PolarHBondContact O-N 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.09Å; D245-S247 PolarHBondContact OD1-N 3.48Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 PolarHBondContact OD2-OG 2.83Å |
| 248 | V | 46.6 | Very low | 46.4 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 47% | 0.473 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -93.8 | -3.2 | -179.6 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | Y234 D245 E246 P250 | Y234-V248 HydrophobicContact CD2-CG1 4.1Å; Y234-V248 HydrophobicContact CE2-CG1 3.47Å; Y234-V248 VanDerWaalsContact CE2-CG1 3.47Å; D245-V248 PolarHBondContact O-N 3.36Å; D245-V248 VanDerWaalsContact O-N 3.13Å; E246-V248 PolarHBondContact O-N 3.5Å; V248-P250 VanDerWaalsContact O-CD 3.28Å; V248-P250 WeakPolarHBondContact O-CD 3.47Å |
| 249 | I | 41.5 | Very low | 45.8 | Very low | 79 Ų | 79 | 114.1 Ų | 114.1 | 41% | 0.405 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -72.4 | 116.5 | 175.9 | -57.7 | 174.8 | 0 | 0 | 0 | 107.5 | E246 R251 T253 T254 | E246-I249 HydrophobicContact CB-CD1 4.17Å; E246-I249 HydrophobicContact CG-CD1 4.24Å; E246-I249 PolarHBondContact O-N 3Å; I249-R251 PolarHBondContact O-N 2.69Å; I249-T253 WeakPolarHBondContact CG2-OG1 3.15Å; I249-T254 HydrophobicContact CB-CG2 3.82Å; I249-T254 HydrophobicContact CG2-CG2 3.58Å; I249-T254 WeakPolarHBondContact O-CG2 3.07Å |
| 250 | P | 40.6 | Very low | 45.5 | Very low | 78 Ų | 78 | 108.1 Ų | 108.1 | 51% | 0.506 | 59% | 0.594 | S | S | . | * | trans | -57.4 | 140.1 | -177.5 | 19.6 | -28.2 | 0 | 0 | 0 | 109.6 | V248 Q252 T253 T254 | V248-P250 VanDerWaalsContact O-CD 3.28Å; V248-P250 WeakPolarHBondContact O-CD 3.47Å; P250-Q252 PolarHBondContact O-N 3.4Å; P250-T253 WeakPolarHBondContact CG-OG1 3.49Å; P250-T253 PolarHBondContact O-N 2.97Å; P250-T253 PolarHBondContact O-OG1 3.02Å; P250-T254 PolarHBondContact O-N 2.82Å | ||
| 251 | R | 45.4 | Very low | 45.1 | Very low | 229 Ų | 229 | 111.2 Ų | 111.2 | 86% | 0.864 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -15.8 | 179.9 | -74.8 | 178.8 | 91.5 | -171.3 | 7.8 | 114 | I249 T253 T254 | I249-R251 PolarHBondContact O-N 2.69Å; R251-T253 PolarHBondContact O-N 3.24Å; R251-T254 VanDerWaalsContact CA-OG1 3.31Å; R251-T254 WeakPolarHBondContact CA-OG1 3.41Å; R251-T254 PolarHBondContact O-N 3.39Å |
| 252 | Q | 43.7 | Very low | 45 | Very low | 157 Ų | 157 | 110.1 Ų | 110.1 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -23.6 | 170.1 | -68.7 | -174.4 | -21.7 | 0 | 0 | 113.4 | P250 | P250-Q252 PolarHBondContact O-N 3.4Š|
| 253 | T | 43.9 | Very low | 44.8 | Very low | 87 Ų | 87 | 108.7 Ų | 108.7 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.8 | -19.5 | 174.1 | 33.3 | 0 | 0 | 0 | 0 | 113.5 | I249 P250 R251 G255 | I249-T253 WeakPolarHBondContact CG2-OG1 3.15Å; P250-T253 WeakPolarHBondContact CG-OG1 3.49Å; P250-T253 PolarHBondContact O-N 2.97Å; P250-T253 PolarHBondContact O-OG1 3.02Å; R251-T253 PolarHBondContact O-N 3.24Å; T253-G255 PolarHBondContact O-N 3.21Å |
| 254 | T | 40.1 | Very low | 44.5 | Very low | 55 Ų | 55 | 105.9 Ų | 105.9 | 34% | 0.337 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -83.1 | 14.9 | -179.5 | 71.9 | 0 | 0 | 0 | 0 | 114.8 | I249 P250 R251 Y256 | I249-T254 HydrophobicContact CB-CG2 3.82Å; I249-T254 HydrophobicContact CG2-CG2 3.58Å; I249-T254 WeakPolarHBondContact O-CG2 3.07Å; P250-T254 PolarHBondContact O-N 2.82Å; R251-T254 VanDerWaalsContact CA-OG1 3.31Å; R251-T254 WeakPolarHBondContact CA-OG1 3.41Å; R251-T254 PolarHBondContact O-N 3.39Å; T254-Y256 PolarHBondContact O-N 2.88Å |
| 255 | G | 39.1 | Very low | 44.4 | Very low | 30 Ų | 30 | 105.8 Ų | 105.8 | 31% | 0.309 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -56.5 | -13.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T253 K257 G259 A260 | T253-G255 PolarHBondContact O-N 3.21Å; G255-K257 PolarHBondContact O-N 2.63Å; G255-G259 PolarHBondContact O-N 3.22Å; G255-A260 CarbonylContact C-O 3.22Å; G255-A260 PolarHBondContact O-N 3.03Å |
| 256 | Y | 44.8 | Very low | 44.5 | Very low | 182 Ų | 182 | 104.7 Ų | 104.7 | 71% | 0.714 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -61 | -29.8 | -177.3 | -168.4 | -102.6 | 0 | 0 | 0 | 115.8 | T254 | T254-Y256 PolarHBondContact O-N 2.88Š|
| 257 | K | 46.4 | Very low | 44.6 | Very low | 144 Ų | 144 | 101.6 Ų | 101.6 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -28.3 | -174.9 | -69.8 | -170.4 | 176.3 | 178.9 | 0 | 114.6 | E246 G255 | E246-K257 IonicContact OE1-NZ 3.2Å; E246-K257 IonicContact OE2-NZ 2.69Å; E246-K257 PolarHBondContact OE2-NZ 3.31Å; G255-K257 PolarHBondContact O-N 2.63Å |
| 258 | E | 45.8 | Very low | 44.5 | Very low | 198 Ų | 198 | 108.1 Ų | 108.1 | 93% | 0.925 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | -1 | -172.7 | -72.4 | -180 | 172.8 | 0 | 0 | 117.2 | ||
| 259 | G | 45.5 | Very low | 44.3 | Very low | 75 Ų | 75 | 108.1 Ų | 108.1 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.1 | -11.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 120 | G255 | G255-G259 PolarHBondContact O-N 3.22Š|
| 260 | A | 42.3 | Very low | 44.5 | Very low | 65 Ų | 65 | 110.3 Ų | 110.3 | 54% | 0.537 | 61% | 0.612 | S | S | . | * | trans | -150.5 | 93.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G255 | G255-A260 CarbonylContact C-O 3.22Å; G255-A260 PolarHBondContact O-N 3.03Å | ||
| 261 | N | 41.7 | Very low | 44.8 | Very low | 104 Ų | 104 | 111 Ų | 111 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | trans | -73 | 139.8 | 164.1 | 77.7 | 12.9 | 0 | 0 | 0 | 108.2 | A263 | N261-A263 HydrophobicContact CB-CB 4.19Å; N261-A263 PolarHBondContact O-N 3.4Å; N261-A263 PolarHBondContact OD1-O 3.39Å | ||
| 262 | Q | 49.9 | Very low | 44.6 | Very low | 145 Ų | 145 | 109.6 Ų | 109.6 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | trans | -77.9 | -4 | 167.1 | -163.9 | -179.3 | 5.6 | 0 | 0 | 110.8 | G264 M265 | Q262-G264 PolarHBondContact O-N 3.35Å; Q262-M265 HydrophobicContact CG-CB 4.03Å; Q262-M265 HydrophobicContact CG-SD 4.49Å; Q262-M265 PolarHBondContact O-N 2.69Å | ||
| 263 | A | 43.5 | Very low | 44.7 | Very low | 59 Ų | 59 | 106.4 Ų | 106.4 | 49% | 0.488 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.8 | 105.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | N261 | N261-A263 HydrophobicContact CB-CB 4.19Å; N261-A263 PolarHBondContact O-N 3.4Å; N261-A263 PolarHBondContact OD1-O 3.39Å |
| 264 | G | 47.3 | Very low | 44.8 | Very low | 34 Ų | 34 | 107.4 Ų | 107.4 | 35% | 0.351 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 101.5 | -0.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q262 T266 | Q262-G264 PolarHBondContact O-N 3.35Å; G264-T266 PolarHBondContact O-N 3.47Å; G264-T266 VanDerWaalsContact O-N 3.1Å |
| 265 | M | 44.8 | Very low | 45 | Very low | 146 Ų | 146 | 107.9 Ų | 107.9 | 72% | 0.719 | 61% | 0.609 | S | S | * | * | trans | -75.7 | 96.7 | 166.8 | -86.4 | -175.2 | 68.6 | 0 | 0 | 110.2 | Q262 | Q262-M265 HydrophobicContact CG-CB 4.03Å; Q262-M265 HydrophobicContact CG-SD 4.49Å; Q262-M265 PolarHBondContact O-N 2.69Å | ||
| 266 | T | 48.9 | Very low | 45.2 | Very low | 50 Ų | 50 | 110 Ų | 110 | 31% | 0.307 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -78.4 | 146.4 | 164.4 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | G264 M270 P271 | G264-T266 PolarHBondContact O-N 3.47Å; G264-T266 VanDerWaalsContact O-N 3.1Å; T266-M270 HydrophobicContact CG2-CB 4.44Å; T266-M270 PolarHBondContact OG1-O 3.18Å; T266-M270 VanDerWaalsContact OG1-O 3.11Å; T266-P271 PolarHBondContact OG1-O 3.38Å |
| 267 | G | 47.1 | Very low | 45 | Very low | 46 Ų | 46 | 109.4 Ų | 109.4 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 161.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G269 M270 | G267-G269 PolarHBondContact O-N 3.45Å; G267-M270 WeakPolarHBondContact O-CB 3.47Å; G267-M270 PolarHBondContact O-N 3.1Å |
| 268 | F | 46.8 | Very low | 44.8 | Very low | 230 Ų | 230 | 108.6 Ų | 108.6 | 100% | 1.009 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 123.7 | 177.7 | -174.5 | -97.6 | 0 | 0 | 0 | 111 | ||
| 269 | G | 42.1 | Very low | 44.6 | Very low | 78 Ų | 78 | 102.1 Ų | 102.1 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.9 | -5.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G267 | G267-G269 PolarHBondContact O-N 3.45Š|
| 270 | M | 44.9 | Very low | 44.5 | Very low | 124 Ų | 124 | 103.7 Ų | 103.7 | 61% | 0.611 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -91.4 | 131.4 | 174 | -65.7 | -158.5 | 90 | 0 | 0 | 110.9 | T266 G267 R272 | T266-M270 HydrophobicContact CG2-CB 4.44Å; T266-M270 PolarHBondContact OG1-O 3.18Å; T266-M270 VanDerWaalsContact OG1-O 3.11Å; G267-M270 WeakPolarHBondContact O-CB 3.47Å; G267-M270 PolarHBondContact O-N 3.1Å; M270-R272 PolarHBondContact O-N 3.26Å |
| 271 | P | 46.4 | Very low | 44.4 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 132 | 175.6 | 24.1 | -32.1 | 0 | 0 | 0 | 109.8 | T266 N273 | T266-P271 PolarHBondContact OG1-O 3.38Å; P271-N273 PolarHBondContact O-N 3.42Å |
| 272 | R | 42.4 | Very low | 44.4 | Very low | 200 Ų | 200 | 109.2 Ų | 109.2 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 124.3 | 173.8 | -70.1 | -176.3 | 174.6 | 94.7 | -0.7 | 107.6 | M270 T274 | M270-R272 PolarHBondContact O-N 3.26Å; R272-T274 HydrophobicContact CB-CG2 4.44Å; R272-T274 PolarHBondContact O-N 3.21Å |
| 273 | N | 45 | Very low | 44 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 48% | 0.481 | 58% | 0.584 | S | S | . | * | trans | -71.7 | 82.6 | 169.6 | -169.1 | 7.3 | 0 | 0 | 0 | 108.2 | P271 T275 I276 | P271-N273 PolarHBondContact O-N 3.42Å; N273-T275 PolarHBondContact ND2-OG1 2.98Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.26Å; N273-T275 PolarHBondContact OD1-N 3.36Å; N273-T275 PolarHBondContact OD1-OG1 3.03Å; N273-I276 PolarHBondContact O-N 3.46Å | ||
| 274 | T | 47 | Very low | 44.2 | Very low | 108 Ų | 108 | 113.6 Ų | 113.6 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -7.7 | 179.3 | 40.8 | 0 | 0 | 0 | 0 | 112.6 | R272 I276 M277 | R272-T274 HydrophobicContact CB-CG2 4.44Å; R272-T274 PolarHBondContact O-N 3.21Å; T274-I276 PolarHBondContact O-N 2.72Å; T274-M277 PolarHBondContact O-N 2.81Å |
| 275 | T | 43.7 | Very low | 44 | Very low | 66 Ų | 66 | 119.7 Ų | 119.7 | 41% | 0.405 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -14 | 173.1 | 67.8 | 0 | 0 | 0 | 0 | 113 | N273 M277 Q278 L279 | N273-T275 PolarHBondContact ND2-OG1 2.98Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.26Å; N273-T275 PolarHBondContact OD1-N 3.36Å; N273-T275 PolarHBondContact OD1-OG1 3.03Å; T275-M277 VanDerWaalsContact C-N 3.3Å; T275-M277 PolarHBondContact O-N 3.16Å; T275-Q278 CarbonylContact O-C 3.59Å; T275-Q278 WeakPolarHBondContact O-CA 3.23Å; T275-Q278 PolarHBondContact O-N 3.17Å; T275-L279 WeakPolarHBondContact O-CA 3.48Å; T275-L279 WeakPolarHBondContact O-CB 3.3Å; T275-L279 VanDerWaalsContact O-CG 3.27Å; T275-L279 WeakPolarHBondContact O-CG 3.1Å; T275-L279 PolarHBondContact O-N 3.03Å |
| 276 | I | 43.4 | Very low | 43.8 | Very low | 75 Ų | 75 | 114.3 Ų | 114.3 | 39% | 0.385 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -35.2 | 171.5 | -61.1 | 176.9 | 0 | 0 | 0 | 112 | N273 T274 Q278 L279 | N273-I276 PolarHBondContact O-N 3.46Å; T274-I276 PolarHBondContact O-N 2.72Å; I276-Q278 PolarHBondContact O-N 2.75Å; I276-L279 HydrophobicContact CB-CD1 4.23Å; I276-L279 HydrophobicContact CG1-CD1 3.74Å; I276-L279 PolarHBondContact O-N 2.8Å |
| 277 | M | 39.5 | Very low | 43.3 | Very low | 168 Ų | 168 | 118.4 Ų | 118.4 | 83% | 0.828 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.1 | -18.7 | 172.2 | -80.6 | -112.1 | -82.8 | 0 | 0 | 112.9 | T274 T275 | T274-M277 PolarHBondContact O-N 2.81Å; T275-M277 VanDerWaalsContact C-N 3.3Å; T275-M277 PolarHBondContact O-N 3.16Å |
| 278 | Q | 43.6 | Very low | 43 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 60% | 0.598 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -103.5 | 0.8 | 172.3 | -62.4 | -158.9 | -22.8 | 0 | 0 | 113 | T275 I276 S280 R281 Q282 | T275-Q278 CarbonylContact O-C 3.59Å; T275-Q278 WeakPolarHBondContact O-CA 3.23Å; T275-Q278 PolarHBondContact O-N 3.17Å; I276-Q278 PolarHBondContact O-N 2.75Å; Q278-S280 VanDerWaalsContact C-N 3.3Å; Q278-R281 CarbonylContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-CA 3.23Å; Q278-R281 WeakPolarHBondContact O-CA 3.38Å; Q278-R281 VanDerWaalsContact O-CB 3.26Å; Q278-R281 WeakPolarHBondContact O-CB 3.46Å; Q278-R281 PolarHBondContact O-N 2.76Å; Q278-Q282 PolarHBondContact O-N 3.19Å |
| 279 | L | 40 | Very low | 42.7 | Very low | 62 Ų | 62 | 111.8 Ų | 111.8 | 33% | 0.325 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.9 | -25.9 | 178.8 | -93.8 | 154.8 | 0 | 0 | 0 | 111 | T275 I276 R281 Q282 | T275-L279 WeakPolarHBondContact O-CA 3.48Å; T275-L279 WeakPolarHBondContact O-CB 3.3Å; T275-L279 VanDerWaalsContact O-CG 3.27Å; T275-L279 WeakPolarHBondContact O-CG 3.1Å; T275-L279 PolarHBondContact O-N 3.03Å; I276-L279 HydrophobicContact CB-CD1 4.23Å; I276-L279 HydrophobicContact CG1-CD1 3.74Å; I276-L279 PolarHBondContact O-N 2.8Å; L279-R281 PolarHBondContact O-N 3.11Å; L279-Q282 HydrophobicContact CD2-CB 3.96Å; L279-Q282 VanDerWaalsContact CD2-CD 3.48Å; L279-Q282 HydrophobicContact CD2-CG 4.19Å; L279-Q282 WeakPolarHBondContact O-CB 3.25Å; L279-Q282 PolarHBondContact O-N 2.86Å |
| 280 | S | 44.1 | Very low | 42.5 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -19.4 | 163.8 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | Q278 | Q278-S280 VanDerWaalsContact C-N 3.3Š|
| 281 | R | 41.4 | Very low | 42.3 | Very low | 205 Ų | 205 | 111.7 Ų | 111.7 | 77% | 0.774 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -0.7 | 167.3 | -60.3 | -175.4 | 177.5 | -83.1 | -0.4 | 112.9 | Q278 L279 E283 | Q278-R281 CarbonylContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-C 3.27Å; Q278-R281 VanDerWaalsContact O-CA 3.23Å; Q278-R281 WeakPolarHBondContact O-CA 3.38Å; Q278-R281 VanDerWaalsContact O-CB 3.26Å; Q278-R281 WeakPolarHBondContact O-CB 3.46Å; Q278-R281 PolarHBondContact O-N 2.76Å; L279-R281 PolarHBondContact O-N 3.11Å; R281-E283 PolarHBondContact O-N 3.06Å |
| 282 | Q | 40.8 | Very low | 41.9 | Very low | 81 Ų | 81 | 115.4 Ų | 115.4 | 38% | 0.379 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -73.3 | 114 | 171 | -145.8 | -166.1 | 17.9 | 0 | 0 | 106.5 | Q278 L279 Q284 S286 | Q278-Q282 PolarHBondContact O-N 3.19Å; L279-Q282 HydrophobicContact CD2-CB 3.96Å; L279-Q282 VanDerWaalsContact CD2-CD 3.48Å; L279-Q282 HydrophobicContact CD2-CG 4.19Å; L279-Q282 WeakPolarHBondContact O-CB 3.25Å; L279-Q282 PolarHBondContact O-N 2.86Å; Q282-Q284 PolarHBondContact O-N 3.26Å; Q282-S286 WeakPolarHBondContact CG-OG 3.21Å; Q282-S286 PolarHBondContact NE2-OG 3.49Å; Q282-S286 PolarHBondContact OE1-OG 3.38Å |
| 283 | E | 41.2 | Very low | 41.7 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | trans | -51.6 | 139.4 | 177 | -70.3 | -157 | 172.9 | 0 | 0 | 109.4 | R281 K285 S286 | R281-E283 PolarHBondContact O-N 3.06Å; E283-K285 HydrophobicContact CB-CB 4.45Å; E283-K285 PolarHBondContact O-N 3.02Å; E283-K285 WeakPolarHBondContact OE2-CE 3.12Å; E283-K285 IonicContact OE2-NZ 3.51Å; E283-K285 PolarHBondContact OE2-NZ 3.13Å; E283-S286 PolarHBondContact O-N 3.42Å; E283-S286 PolarHBondContact O-OG 3.42Å | ||
| 284 | Q | 47 | Very low | 41.3 | Very low | 174 Ų | 174 | 114.8 Ų | 114.8 | 81% | 0.813 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -49.1 | -24.6 | 176.8 | -73 | -162.2 | 1.9 | 0 | 0 | 112.7 | Q282 S286 Q287 | Q282-Q284 PolarHBondContact O-N 3.26Å; Q284-S286 VanDerWaalsContact C-N 3.28Å; Q284-S286 PolarHBondContact O-N 3.35Å; Q284-Q287 VanDerWaalsContact O-CB 3.25Å; Q284-Q287 WeakPolarHBondContact O-CB 3.23Å; Q284-Q287 WeakPolarHBondContact O-CG 3.47Å; Q284-Q287 PolarHBondContact O-N 2.95Å; Q284-Q287 VanDerWaalsContact O-N 3.14Å |
| 285 | K | 44.5 | Very low | 40.8 | Very low | 162 Ų | 162 | 112.1 Ų | 112.1 | 70% | 0.704 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -64.2 | -20.8 | 178.9 | -58.4 | -176.3 | -164.2 | 136 | 0 | 115.4 | E283 | E283-K285 HydrophobicContact CB-CB 4.45Å; E283-K285 PolarHBondContact O-N 3.02Å; E283-K285 WeakPolarHBondContact OE2-CE 3.12Å; E283-K285 IonicContact OE2-NZ 3.51Å; E283-K285 PolarHBondContact OE2-NZ 3.13Å |
| 286 | S | 40.1 | Very low | 40.5 | Very low | 34 Ų | 34 | 116 Ų | 116 | 24% | 0.238 | 60% | 0.596 | C | S | . | * | G | 310 helix | trans | -96.9 | -1.2 | 174.7 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | Q282 E283 Q284 G288 L289 | Q282-S286 WeakPolarHBondContact CG-OG 3.21Å; Q282-S286 PolarHBondContact NE2-OG 3.49Å; Q282-S286 PolarHBondContact OE1-OG 3.38Å; E283-S286 PolarHBondContact O-N 3.42Å; E283-S286 PolarHBondContact O-OG 3.42Å; Q284-S286 VanDerWaalsContact C-N 3.28Å; Q284-S286 PolarHBondContact O-N 3.35Å; S286-G288 PolarHBondContact O-N 3.34Å; S286-G288 VanDerWaalsContact O-N 3.1Å; S286-L289 PolarHBondContact O-N 3.22Å |
| 287 | Q | 38.1 | Very low | 40.5 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 110.3 | 169.2 | -63.6 | -77.3 | -15.4 | 0 | 0 | 107.6 | Q284 | Q284-Q287 VanDerWaalsContact O-CB 3.25Å; Q284-Q287 WeakPolarHBondContact O-CB 3.23Å; Q284-Q287 WeakPolarHBondContact O-CG 3.47Å; Q284-Q287 PolarHBondContact O-N 2.95Å; Q284-Q287 VanDerWaalsContact O-N 3.14Å |
| 288 | G | 40.8 | Very low | 40.1 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 74% | 0.742 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.3 | -9.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S286 I290 | S286-G288 PolarHBondContact O-N 3.34Å; S286-G288 VanDerWaalsContact O-N 3.1Å; G288-I290 PolarHBondContact O-N 3.03Å; G288-I290 VanDerWaalsContact O-N 3.15Å |
| 289 | L | 41.7 | Very low | 40.1 | Very low | 65 Ų | 65 | 119.2 Ų | 119.2 | 34% | 0.34 | 62% | 0.623 | S | S | . | * | trans | -80 | 96 | 171.1 | -76.1 | 163.1 | 0 | 0 | 0 | 109.4 | S286 P291 L365 R367 | S286-L289 PolarHBondContact O-N 3.22Å; L289-P291 WeakPolarHBondContact O-CD 3.49Å; L289-L365 HydrophobicContact CD2-CD2 4.3Å; L289-R367 HydrophobicContact CD2-CG 4.42Å | ||
| 290 | I | 37.5 | Very low | 40 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 59% | 0.585 | 63% | 0.631 | S | S | * | * | trans | -84.2 | 121.3 | 172.9 | -45.8 | 174.4 | 0 | 0 | 0 | 108.4 | G288 Y292 M294 | G288-I290 PolarHBondContact O-N 3.03Å; G288-I290 VanDerWaalsContact O-N 3.15Å; I290-Y292 PolarHBondContact O-N 3.1Å; I290-M294 HydrophobicContact CB-CE 3.96Å; I290-M294 HydrophobicContact CD1-CE 3.69Å; I290-M294 HydrophobicContact CG1-CE 4.41Å; I290-M294 HydrophobicContact CG2-CE 3.35Å | ||
| 291 | P | 40.5 | Very low | 39.8 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | trans | -56.6 | 132 | 170.6 | -20.2 | 31.5 | 0 | 0 | 0 | 109.3 | L289 Q293 | L289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-Q293 PolarHBondContact O-N 3.38Å | ||
| 292 | Y | 37.4 | Very low | 39.8 | Very low | 170 Ų | 170 | 115 Ų | 115 | 67% | 0.667 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -61.2 | 80.7 | 172.1 | -84.8 | -88.4 | 0 | 0 | 0 | 110.1 | I290 | I290-Y292 PolarHBondContact O-N 3.1Š|
| 293 | Q | 38.6 | Very low | 39.9 | Very low | 133 Ų | 133 | 114 Ų | 114 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | trans | -129 | 5 | 172.1 | -142.5 | -167.1 | -65.5 | 0 | 0 | 113 | P291 | P291-Q293 PolarHBondContact O-N 3.38Š| ||
| 294 | M | 35.7 | Very low | 40.1 | Very low | 143 Ų | 143 | 110 Ų | 110 | 70% | 0.704 | 60% | 0.602 | S | S | * | * | trans | -104.4 | 48 | 169 | 53.7 | -172.2 | 157.2 | 0 | 0 | 110.7 | I290 | I290-M294 HydrophobicContact CB-CE 3.96Å; I290-M294 HydrophobicContact CD1-CE 3.69Å; I290-M294 HydrophobicContact CG1-CE 4.41Å; I290-M294 HydrophobicContact CG2-CE 3.35Å | ||
| 295 | G | 38.3 | Very low | 39.9 | Very low | 53 Ų | 53 | 104.4 Ų | 104.4 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | trans | -76.9 | 130.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | N297 | G295-N297 PolarHBondContact O-N 3.38Š| ||
| 296 | I | 37.5 | Very low | 40 | Very low | 147 Ų | 147 | 97.7 Ų | 97.7 | 75% | 0.754 | 55% | 0.548 | S | S | * | . | trans | -60.4 | 123.3 | 169.8 | -63.1 | 170.3 | 0 | 0 | 0 | 107 | W298 | I296-W298 HydrophobicContact CG2-CE3 3.97Å; I296-W298 PolarHBondContact O-N 3.34Å | ||
| 297 | N | 43 | Very low | 40.1 | Very low | 122 Ų | 122 | 98.3 Ų | 98.3 | 65% | 0.652 | 56% | 0.56 | S | S | * | * | trans | -72 | 41.7 | -170 | -62.7 | -67.4 | 0 | 0 | 0 | 114.4 | G295 G299 | G295-N297 PolarHBondContact O-N 3.38Å; N297-G299 PolarHBondContact O-N 3.09Å | ||
| 298 | W | 30.5 | Very low | 40.3 | Very low | 237 Ų | 237 | 102.8 Ų | 102.8 | 90% | 0.898 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -80.1 | 116.4 | 176.5 | -126.1 | -60.9 | 0 | 0 | 0 | 110.1 | I296 D300 | I296-W298 HydrophobicContact CG2-CE3 3.97Å; I296-W298 PolarHBondContact O-N 3.34Å; W298-D300 VanDerWaalsContact C-N 3.31Å; W298-D300 PolarHBondContact O-N 3.03Å |
| 299 | G | 43.4 | Very low | 40.2 | Very low | 80 Ų | 80 | 103 Ų | 103 | 83% | 0.825 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 79.6 | 4.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N297 S301 | N297-G299 PolarHBondContact O-N 3.09Å; G299-S301 PolarHBondContact O-N 3.49Å |
| 300 | D | 37.5 | Very low | 39.9 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | trans | -76.8 | 121 | -176.8 | -152.9 | 15.8 | 0 | 0 | 0 | 110.6 | W298 K305 | W298-D300 VanDerWaalsContact C-N 3.31Å; W298-D300 PolarHBondContact O-N 3.03Å; D300-K305 WeakPolarHBondContact OD2-CE 3.4Å; D300-K305 IonicContact OD2-NZ 3.54Å; D300-K305 PolarHBondContact OD2-NZ 3.2Å | ||
| 301 | S | 40 | Very low | 40.1 | Very low | 44 Ų | 44 | 102.9 Ų | 102.9 | 31% | 0.308 | 58% | 0.584 | S | S | . | * | trans | -65.8 | 136.9 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | G299 A303 | G299-S301 PolarHBondContact O-N 3.49Å; S301-A303 PolarHBondContact O-N 2.88Å; S301-A303 WeakPolarHBondContact OG-CB 3.29Å; S301-A303 PolarHBondContact OG-N 2.58Å | ||
| 302 | Q | 42.4 | Very low | 40.1 | Very low | 148 Ų | 148 | 104.3 Ų | 104.3 | 69% | 0.692 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -65 | -7.4 | 171.6 | -119.3 | 70 | -32 | 0 | 0 | 112.3 | G304 K305 | Q302-G304 PolarHBondContact O-N 2.89Å; Q302-K305 PolarHBondContact O-N 2.98Å |
| 303 | A | 41.5 | Very low | 40.1 | Very low | 61 Ų | 61 | 102.1 Ų | 102.1 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | 130.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S301 K305 | S301-A303 PolarHBondContact O-N 2.88Å; S301-A303 WeakPolarHBondContact OG-CB 3.29Å; S301-A303 PolarHBondContact OG-N 2.58Å; A303-K305 VanDerWaalsContact C-N 3.3Å; A303-K305 PolarHBondContact O-N 3.04Å |
| 304 | G | 45.8 | Very low | 40.1 | Very low | 36 Ų | 36 | 99.7 Ų | 99.7 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.3 | -12.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q302 V360 | Q302-G304 PolarHBondContact O-N 2.89Å; G304-V360 VanDerWaalsContact O-CG2 3.23Å; G304-V360 WeakPolarHBondContact O-CG2 3.49Å |
| 305 | K | 43.6 | Very low | 40.1 | Very low | 58 Ų | 58 | 99.2 Ų | 99.2 | 25% | 0.252 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -74.5 | 134.4 | 175.7 | -66.4 | -177.9 | -177.4 | 172.9 | 0 | 110.5 | D300 Q302 A303 | D300-K305 WeakPolarHBondContact OD2-CE 3.4Å; D300-K305 IonicContact OD2-NZ 3.54Å; D300-K305 PolarHBondContact OD2-NZ 3.2Å; Q302-K305 PolarHBondContact O-N 2.98Å; A303-K305 VanDerWaalsContact C-N 3.3Å; A303-K305 PolarHBondContact O-N 3.04Å |
| 306 | T | 46.1 | Very low | 40 | Very low | 20 Ų | 20 | 100.3 Ų | 100.3 | 12% | 0.123 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -62.8 | 141.3 | 170.6 | 51.7 | 0 | 0 | 0 | 0 | 110 | R312 | T306-R312 HydrophobicContact CG2-CG 4.19Å; T306-R312 VanDerWaalsContact OG1-CG 3.25Å; T306-R312 WeakPolarHBondContact OG1-CG 3.44Å; T306-R312 PolarHBondContact OG1-NH1 3.45Å |
| 307 | G | 41.7 | Very low | 39.9 | Very low | 47 Ų | 47 | 99.8 Ų | 99.8 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 152.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G309 M310 | G307-G309 PolarHBondContact O-N 2.85Å; G307-G309 VanDerWaalsContact O-N 3.17Å; G307-M310 PolarHBondContact O-N 3.21Å; G307-M310 VanDerWaalsContact O-N 3.16Å |
| 308 | F | 42.5 | Very low | 39.4 | Very low | 230 Ų | 230 | 104.4 Ų | 104.4 | 100% | 1.009 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | 122 | 177.1 | -176.7 | -99.1 | 0 | 0 | 0 | 110.3 | ||
| 309 | G | 39.4 | Very low | 39.7 | Very low | 75 Ų | 75 | 97.9 Ų | 97.9 | 77% | 0.773 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.1 | -7.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G307 | G307-G309 PolarHBondContact O-N 2.85Å; G307-G309 VanDerWaalsContact O-N 3.17Å |
| 310 | M | 35.4 | Very low | 39.4 | Very low | 79 Ų | 79 | 100.2 Ų | 100.2 | 39% | 0.389 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 139.4 | 176.3 | -95.5 | 162.8 | 70.8 | 0 | 0 | 113.3 | G307 R312 | G307-M310 PolarHBondContact O-N 3.21Å; G307-M310 VanDerWaalsContact O-N 3.16Å; M310-R312 PolarHBondContact O-N 3.2Å |
| 311 | P | 41.6 | Very low | 39.7 | Very low | 98 Ų | 98 | 100.1 Ų | 100.1 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 131.1 | 171.8 | 26.5 | -32 | 0 | 0 | 0 | 110.2 | Q313 | P311-Q313 PolarHBondContact O-N 2.83Š|
| 312 | R | 39.9 | Very low | 39.7 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 45% | 0.445 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -76.9 | 119 | 170.9 | -71.2 | 175.5 | -141.8 | -81.9 | -6.9 | 108.2 | T306 M310 V314 | T306-R312 HydrophobicContact CG2-CG 4.19Å; T306-R312 VanDerWaalsContact OG1-CG 3.25Å; T306-R312 WeakPolarHBondContact OG1-CG 3.44Å; T306-R312 PolarHBondContact OG1-NH1 3.45Å; M310-R312 PolarHBondContact O-N 3.2Å; R312-V314 VanDerWaalsContact C-N 3.3Å; R312-V314 HydrophobicContact CB-CG2 4.2Å; R312-V314 PolarHBondContact O-N 3.38Å |
| 313 | Q | 36.9 | Very low | 39.6 | Very low | 123 Ų | 123 | 109.4 Ų | 109.4 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | trans | -73.3 | 89.8 | 165.5 | -69.5 | -80.8 | -1.3 | 0 | 0 | 107.2 | P311 F315 | P311-Q313 PolarHBondContact O-N 2.83Å; Q313-F315 HydrophobicContact CB-CE2 4.19Å; Q313-F315 PolarHBondContact O-N 3.25Å | ||
| 314 | V | 39.4 | Very low | 39.7 | Very low | 82 Ų | 82 | 109.3 Ų | 109.3 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | trans | -83.9 | 97.3 | 167.6 | -170.9 | 0 | 0 | 0 | 0 | 105.7 | R312 T316 | R312-V314 VanDerWaalsContact C-N 3.3Å; R312-V314 HydrophobicContact CB-CG2 4.2Å; R312-V314 PolarHBondContact O-N 3.38Å; V314-T316 HydrophobicContact CG1-CG2 3.71Å; V314-T316 PolarHBondContact O-N 3.14Å | ||
| 315 | F | 36.6 | Very low | 39.7 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | trans | -69.8 | 85.2 | 164.1 | -67.3 | -75.5 | 0 | 0 | 0 | 107.3 | Q313 N317 | Q313-F315 HydrophobicContact CB-CE2 4.19Å; Q313-F315 PolarHBondContact O-N 3.25Å; F315-N317 PolarHBondContact O-N 3.41Å; F315-N317 VanDerWaalsContact O-N 3.09Å | ||
| 316 | T | 36.3 | Very low | 39.7 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | trans | -70.1 | 99.7 | 163.9 | 51.8 | 0 | 0 | 0 | 0 | 106.3 | V314 Y318 | V314-T316 HydrophobicContact CG1-CG2 3.71Å; V314-T316 PolarHBondContact O-N 3.14Å; T316-Y318 PolarHBondContact O-N 3.38Å | ||
| 317 | N | 33.5 | Very low | 39.5 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -61.8 | 108.4 | 168.3 | -68.3 | -13.7 | 0 | 0 | 0 | 106.9 | F315 T319 | F315-N317 PolarHBondContact O-N 3.41Å; F315-N317 VanDerWaalsContact O-N 3.09Å; N317-T319 VanDerWaalsContact C-N 3.31Å; N317-T319 PolarHBondContact O-N 3.43Å; N317-T319 PolarHBondContact O-OG1 3.32Å | ||
| 318 | Y | 34.4 | Very low | 39.7 | Very low | 218 Ų | 218 | 127.3 Ų | 127.3 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | trans | -60.7 | 99.4 | 168.4 | -65 | -85.9 | 0 | 0 | 0 | 106.6 | T316 | T316-Y318 PolarHBondContact O-N 3.38Š| ||
| 319 | T | 36.8 | Very low | 39.7 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | trans | -92.8 | 106.1 | 174.7 | -30.8 | 0 | 0 | 0 | 0 | 105.1 | N317 D321 | N317-T319 VanDerWaalsContact C-N 3.31Å; N317-T319 PolarHBondContact O-N 3.43Å; N317-T319 PolarHBondContact O-OG1 3.32Å; T319-D321 PolarHBondContact O-N 3.47Å | ||
| 320 | D | 35.3 | Very low | 39.9 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 69% | 0.69 | 63% | 0.628 | S | S | * | * | trans | -61.4 | 101.2 | 179.8 | -168.8 | 4.4 | 0 | 0 | 0 | 108.9 | I322 | D320-I322 PolarHBondContact O-N 3.49Å; D320-I322 WeakPolarHBondContact OD1-CG1 3.3Å | ||
| 321 | D | 45 | Very low | 40.1 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 49% | 0.487 | 64% | 0.638 | S | S | . | * | trans | -84.5 | 60.7 | -178.7 | 54.4 | -18 | 0 | 0 | 0 | 110.5 | T319 R323 R367 | T319-D321 PolarHBondContact O-N 3.47Å; D321-R323 PolarHBondContact O-N 3.44Å; D321-R367 IonicContact OD2-CZ 2.7Å; D321-R367 IonicContact OD2-NH1 2.6Å; D321-R367 PolarHBondContact OD2-NH1 3.4Å; D321-R367 IonicContact OD2-NH2 2.7Å; D321-R367 PolarHBondContact OD2-NH2 3.15Å | ||
| 322 | I | 40.2 | Very low | 39.8 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 68% | 0.677 | 64% | 0.643 | S | S | * | * | trans | -69.1 | 76.8 | 163.2 | -51.3 | 177.5 | 0 | 0 | 0 | 107.9 | D320 G324 | D320-I322 PolarHBondContact O-N 3.49Å; D320-I322 WeakPolarHBondContact OD1-CG1 3.3Å; I322-G324 PolarHBondContact O-N 2.98Å | ||
| 323 | R | 39.4 | Very low | 39.4 | Very low | 255 Ų | 255 | 131 Ų | 131 | 96% | 0.962 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 42.8 | 9.6 | 161.3 | -66.8 | -175.3 | 176.4 | 136.3 | -1.5 | 118.7 | D321 | D321-R323 PolarHBondContact O-N 3.44Š|
| 324 | G | 43.1 | Very low | 39.4 | Very low | 58 Ų | 58 | 130 Ų | 130 | 60% | 0.598 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 135.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | I322 L326 | I322-G324 PolarHBondContact O-N 2.98Å; G324-L326 PolarHBondContact O-N 2.94Å |
| 325 | E | 47.7 | Very low | 39.5 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 91% | 0.907 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 134.9 | 166.1 | -64 | 177.1 | 171.3 | 0 | 0 | 108.8 | ||
| 326 | L | 42.1 | Very low | 39.5 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 57% | 0.571 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 136.2 | 176.3 | -89.8 | 150.6 | 0 | 0 | 0 | 108.8 | G324 E328 L330 | G324-L326 PolarHBondContact O-N 2.94Å; L326-E328 PolarHBondContact O-N 3.32Å; L326-L330 HydrophobicContact CD2-CB 4.41Å; L326-L330 HydrophobicContact CD2-CD1 4.41Å |
| 327 | P | 42.8 | Very low | 39.4 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 52% | 0.519 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -47.8 | 132.6 | 175.5 | -26 | 32.6 | 0 | 0 | 0 | 110 | E329 L330 A331 | P327-E329 PolarHBondContact O-N 3.39Å; P327-L330 PolarHBondContact O-N 3.03Å; P327-A331 PolarHBondContact O-N 3.04Å |
| 328 | E | 45.8 | Very low | 39.7 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -53.1 | -25.9 | -174.1 | -70.6 | -176.4 | 165.8 | 0 | 0 | 112.7 | L326 L330 A331 R332 | L326-E328 PolarHBondContact O-N 3.32Å; E328-L330 PolarHBondContact O-N 3.22Å; E328-A331 PolarHBondContact O-N 3.44Å; E328-R332 VanDerWaalsContact O-CB 3.27Å; E328-R332 WeakPolarHBondContact O-CB 3.49Å; E328-R332 PolarHBondContact O-N 2.92Å |
| 329 | E | 41.7 | Very low | 39.3 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.7 | -31.2 | 176 | -62.2 | -179.5 | 174.5 | 0 | 0 | 113.7 | P327 | P327-E329 PolarHBondContact O-N 3.39Å |
| 330 | L | 43.3 | Very low | 38.9 | Very low | 76 Ų | 76 | 134 Ų | 134 | 40% | 0.398 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -88.6 | -26.4 | 176.6 | -75.2 | 163.7 | 0 | 0 | 0 | 112.5 | L326 P327 E328 R332 Y364 | L326-L330 HydrophobicContact CD2-CB 4.41Å; L326-L330 HydrophobicContact CD2-CD1 4.41Å; P327-L330 PolarHBondContact O-N 3.03Å; E328-L330 PolarHBondContact O-N 3.22Å; L330-R332 PolarHBondContact O-N 2.83Å; L330-Y364 HydrophobicContact CD2-CE1 3.95Å; L330-Y364 VanDerWaalsContact CD2-OH 3.3Å; L330-Y364 WeakPolarHBondContact CD2-OH 3.45Å |
| 331 | A | 41.1 | Very low | 39 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 60% | 0.603 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.9 | -17.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | P327 E328 | P327-A331 PolarHBondContact O-N 3.04Å; E328-A331 PolarHBondContact O-N 3.44Å |
| 332 | R | 34 | Very low | 38.2 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -109.5 | 41.9 | -163.4 | -149.4 | -175.9 | -162 | 147.4 | 4.2 | 115.2 | E328 L330 P334 | E328-R332 VanDerWaalsContact O-CB 3.27Å; E328-R332 WeakPolarHBondContact O-CB 3.49Å; E328-R332 PolarHBondContact O-N 2.92Å; L330-R332 PolarHBondContact O-N 2.83Å; R332-P334 WeakPolarHBondContact O-CD 3.35Å | ||
| 333 | M | 32.8 | Very low | 38.1 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -86.5 | 111.3 | 154.1 | -74.1 | -162.5 | 173.3 | 0 | 0 | 108.3 | D335 | M333-D335 PolarHBondContact O-N 3.26Š|
| 334 | P | 37.1 | Very low | 38 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | -63.8 | 130.7 | -171 | 26.8 | -33.6 | 0 | 0 | 0 | 109.5 | R332 V336 | R332-P334 WeakPolarHBondContact O-CD 3.35Å; P334-V336 VanDerWaalsContact C-N 3.27Å; P334-V336 PolarHBondContact O-N 3.45Å | ||
| 335 | D | 40 | Very low | 37.6 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | 11.3 | 68.3 | 156 | -58.1 | -36.6 | 0 | 0 | 0 | 114.5 | M333 P337 | M333-D335 PolarHBondContact O-N 3.26Å; D335-P337 WeakPolarHBondContact O-CD 3.46Å; D335-P337 VanDerWaalsContact O-N 3.12Å | ||
| 336 | V | 37.7 | Very low | 37.1 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | trans | -67.1 | 113.8 | 165.8 | -80.3 | 0 | 0 | 0 | 0 | 104.9 | P334 F338 | P334-V336 VanDerWaalsContact C-N 3.27Å; P334-V336 PolarHBondContact O-N 3.45Å; V336-F338 PolarHBondContact O-N 3.43Å | ||
| 337 | P | 34.4 | Very low | 36.9 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 59% | 0.591 | 71% | 0.707 | S | S | * | * | trans | -55.6 | 141.6 | 177.6 | -18.8 | 31 | 0 | 0 | 0 | 106.9 | D335 W339 S340 | D335-P337 WeakPolarHBondContact O-CD 3.46Å; D335-P337 VanDerWaalsContact O-N 3.12Å; P337-W339 PolarHBondContact O-N 3.04Å; P337-S340 PolarHBondContact O-N 2.88Å; P337-S340 VanDerWaalsContact O-N 3.11Å | ||
| 338 | F | 38.2 | Very low | 36.5 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | 0.1 | 177.9 | 162.6 | -116.2 | 0 | 0 | 0 | 114.7 | V336 | V336-F338 PolarHBondContact O-N 3.43Š|
| 339 | W | 27 | Very low | 36.1 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 74% | 0.735 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 12.9 | -172.7 | -62.4 | 67.3 | 0 | 0 | 0 | 114.6 | P337 G341 | P337-W339 PolarHBondContact O-N 3.04Å; W339-G341 PolarHBondContact O-N 3.49Å |
| 340 | S | 29.3 | Very low | 36.1 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 57% | 0.573 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 26.9 | -174.3 | 74.4 | 0 | 0 | 0 | 0 | 116.1 | P337 | P337-S340 PolarHBondContact O-N 2.88Å; P337-S340 VanDerWaalsContact O-N 3.11Å |
| 341 | G | 35.7 | Very low | 35.7 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -8.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W339 | W339-G341 PolarHBondContact O-N 3.49Š|
| 342 | M | 29.7 | Very low | 35.9 | Very low | 167 Ų | 167 | 130 Ų | 130 | 82% | 0.823 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -89.4 | -13 | -166.4 | -79.6 | 173.2 | 77 | 0 | 0 | 116.5 | ||
| 343 | E | 36.9 | Very low | 36.3 | Very low | 186 Ų | 186 | 124.6 Ų | 124.6 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -89.8 | -11.6 | -167.8 | -66.6 | -161.9 | 168.2 | 0 | 0 | 115.9 | ||
| 344 | K | 37.4 | Very low | 36.6 | Very low | 190 Ų | 190 | 127 Ų | 127 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -124.6 | 90.8 | 179.5 | -65 | -175.7 | -176.8 | 176.5 | 0 | 110.2 | A346 | K344-A346 PolarHBondContact O-N 3.28Š|
| 345 | L | 36.2 | Very low | 36.4 | Very low | 166 Ų | 166 | 125 Ų | 125 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -39.9 | 124.3 | 162.1 | -69.3 | 163 | 0 | 0 | 0 | 108.6 | S347 | L345-S347 PolarHBondContact O-N 3.41Š| ||
| 346 | A | 37 | Very low | 36.1 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -46.9 | 101.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K344 | K344-A346 PolarHBondContact O-N 3.28Š| ||
| 347 | S | 36.4 | Very low | 36.1 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 57% | 0.573 | 71% | 0.71 | S | S | * | * | trans | -88.1 | 137.7 | 174.8 | 75.2 | 0 | 0 | 0 | 0 | 108.9 | L345 A349 | L345-S347 PolarHBondContact O-N 3.41Å; S347-A349 PolarHBondContact O-N 3.04Å | ||
| 348 | Q | 35.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -75.7 | 3.7 | 177.3 | -143.2 | 161 | 20.4 | 0 | 0 | 112.1 | G350 M351 | Q348-G350 PolarHBondContact O-N 3.34Å; Q348-M351 HydrophobicContact CG-CG 4.23Å; Q348-M351 HydrophobicContact CG-SD 3.29Å; Q348-M351 WeakPolarHBondContact CG-SD 3.27Å; Q348-M351 WeakPolarHBondContact O-CG 3.44Å; Q348-M351 PolarHBondContact O-N 3.49Å | ||
| 349 | A | 36.2 | Very low | 36.3 | Very low | 83 Ų | 83 | 119 Ų | 119 | 69% | 0.686 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 124.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S347 | S347-A349 PolarHBondContact O-N 3.04Š|
| 350 | G | 43 | Very low | 36.9 | Very low | 70 Ų | 70 | 113.4 Ų | 113.4 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.4 | 4.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | Q348 T352 | Q348-G350 PolarHBondContact O-N 3.34Å; G350-T352 PolarHBondContact O-N 2.9Å |
| 351 | M | 35.3 | Very low | 37.1 | Very low | 127 Ų | 127 | 118.8 Ų | 118.8 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | trans | -70.1 | 97.7 | 169.5 | -70.8 | -172.4 | 69.4 | 0 | 0 | 111.1 | Q348 | Q348-M351 HydrophobicContact CG-CG 4.23Å; Q348-M351 HydrophobicContact CG-SD 3.29Å; Q348-M351 WeakPolarHBondContact CG-SD 3.27Å; Q348-M351 WeakPolarHBondContact O-CG 3.44Å; Q348-M351 PolarHBondContact O-N 3.49Å | ||
| 352 | T | 43.9 | Very low | 37.2 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 45% | 0.448 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 154.1 | 158.9 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | G350 R358 | G350-T352 PolarHBondContact O-N 2.9Å; T352-R358 VanDerWaalsContact N-NH2 3.13Å; T352-R358 PolarHBondContact O-NH2 3.05Å; T352-R358 PolarHBondContact OG1-NE 3.18Å; T352-R358 PolarHBondContact OG1-NH2 3.22Å |
| 353 | A | 42.5 | Very low | 37.5 | Very low | 84 Ų | 84 | 116.5 Ų | 116.5 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 152.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | G355 M356 | A353-G355 PolarHBondContact O-N 3.05Å; A353-G355 VanDerWaalsContact O-N 3.14Å; A353-M356 PolarHBondContact O-N 3Å |
| 354 | M | 39 | Very low | 37.5 | Very low | 198 Ų | 198 | 114.1 Ų | 114.1 | 98% | 0.975 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | 118.8 | 174.7 | -73.7 | -81.6 | -87.6 | 0 | 0 | 110.1 | ||
| 355 | G | 33.9 | Very low | 37.5 | Very low | 63 Ų | 63 | 110.1 Ų | 110.1 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.6 | -8.4 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | A353 | A353-G355 PolarHBondContact O-N 3.05Å; A353-G355 VanDerWaalsContact O-N 3.14Å |
| 356 | M | 33.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 112 Ų | 112 | 64% | 0.635 | 65% | 0.647 | S | S | * | * | trans | -84.5 | 132 | 177.6 | -141.7 | 64.5 | 144.5 | 0 | 0 | 111.7 | A353 | A353-M356 PolarHBondContact O-N 3Š| ||
| 357 | P | 37.1 | Very low | 37.2 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | trans | -60.9 | 143.6 | 171.6 | 24.4 | -31.8 | 0 | 0 | 0 | 110.8 | ||||
| 358 | R | 40.5 | Very low | 37.1 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 27% | 0.268 | 65% | 0.648 | S | S | . | * | trans | -127.9 | 133.1 | 178.7 | -65.8 | -169.6 | -176.5 | 153.4 | 4.5 | 110.8 | T352 V360 | T352-R358 VanDerWaalsContact N-NH2 3.13Å; T352-R358 PolarHBondContact O-NH2 3.05Å; T352-R358 PolarHBondContact OG1-NE 3.18Å; T352-R358 PolarHBondContact OG1-NH2 3.22Å; R358-V360 PolarHBondContact O-N 3.33Å | ||
| 359 | D | 36.4 | Very low | 37 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 67% | 0.665 | S | S | * | * | trans | -80.1 | 112.6 | 176.1 | -61.1 | -33 | 0 | 0 | 0 | 110 | ||||
| 360 | V | 40.3 | Very low | 37.1 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 47% | 0.467 | 66% | 0.664 | S | S | . | * | trans | -92.8 | 103.7 | 167.3 | -176.1 | 0 | 0 | 0 | 0 | 106.6 | G304 R358 G362 | G304-V360 VanDerWaalsContact O-CG2 3.23Å; G304-V360 WeakPolarHBondContact O-CG2 3.49Å; R358-V360 PolarHBondContact O-N 3.33Å; V360-G362 PolarHBondContact O-N 3.37Å | ||
| 361 | K | 33.8 | Very low | 36.8 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | trans | -64.5 | 100.9 | 171.1 | -68.9 | -176.1 | 179.7 | -178.2 | 0 | 108 | T363 | K361-T363 PolarHBondContact O-N 3.48Š| ||
| 362 | G | 36.3 | Very low | 36.8 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | trans | -64.4 | 123.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V360 | V360-G362 PolarHBondContact O-N 3.37Š| ||
| 363 | T | 36.1 | Very low | 36.4 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 68% | 0.675 | S | S | * | * | trans | -82 | 143.8 | 175.3 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | K361 | K361-T363 PolarHBondContact O-N 3.48Š| ||
| 364 | Y | 37.5 | Very low | 36 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 53% | 0.533 | 67% | 0.674 | S | S | . | * | trans | -20.3 | 135.8 | -172.7 | -56.5 | -84.7 | 0 | 0 | 0 | 120.7 | L330 | L330-Y364 HydrophobicContact CD2-CE1 3.95Å; L330-Y364 VanDerWaalsContact CD2-OH 3.3Å; L330-Y364 WeakPolarHBondContact CD2-OH 3.45Å | ||
| 365 | L | 36.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | trans | -82.6 | 125.3 | 167 | -74 | 153.8 | 0 | 0 | 0 | 110 | L289 | L289-L365 HydrophobicContact CD2-CD2 4.3Š| ||
| 366 | R | 34.9 | Very low | 36 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 78% | 0.777 | 66% | 0.655 | S | S | * | * | trans | -105.4 | 133.7 | 163.4 | -117.5 | -160.8 | -75.3 | -137.3 | 1.5 | 109.2 | ||||
| 367 | R | 32.7 | Very low | 36.2 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 62% | 0.619 | 66% | 0.656 | S | S | * | * | trans | -67.1 | 127.7 | 170.3 | -102.8 | 175.9 | -84.6 | -105.9 | 1.3 | 109.6 | L289 D321 | L289-R367 HydrophobicContact CD2-CG 4.42Å; D321-R367 IonicContact OD2-CZ 2.7Å; D321-R367 IonicContact OD2-NH1 2.6Å; D321-R367 PolarHBondContact OD2-NH1 3.4Å; D321-R367 IonicContact OD2-NH2 2.7Å; D321-R367 PolarHBondContact OD2-NH2 3.15Å | ||
| 368 | L | 33.6 | Very low | 36.1 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | trans | -95 | 100.4 | 163.3 | -73.3 | 161.3 | 0 | 0 | 0 | 106.4 | ||||
| 369 | W | 34.3 | Very low | 35.7 | Very low | 291 Ų | 291 | 146.1 Ų | 146.1 | 100% | 1.102 | 69% | 0.692 | S | S | * | * | trans | 48.8 | 0 | 170.8 | 38.7 | 81 | 0 | 0 | 0 | 118.9 |
Retrieved 369 of 369 residues in 166.6 ms
(Link to these results)