| 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 | 40.7 | Very low | 43.9 | Very low | 244 Ų | 244 | 161.5 Ų | 161.5 | 100% | 1.202 | 81% | 0.812 | S | S | * | * | 0 | 107.3 | 0 | -98.6 | 166.3 | 157.1 | 0 | 0 | 105.1 | |||||
| 2 | E | 45.6 | Very low | 43.9 | Very low | 162 Ų | 162 | 166.1 Ų | 166.1 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | cis | -153.3 | 147.5 | 33.2 | -146.8 | 163.8 | 144.6 | 0 | 0 | 109.4 | R4 | E2-R4 IonicContact OE1-NH1 2.75Å; E2-R4 PolarHBondContact OE1-NH1 3.45Å | ||
| 3 | V | 41.7 | Very low | 43.7 | Very low | 114 Ų | 114 | 163.2 Ų | 163.2 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -90.3 | 142.6 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | R | 45.3 | Very low | 43.5 | Very low | 204 Ų | 204 | 159.9 Ų | 159.9 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | 167 | 101.5 | 149.8 | -90.9 | 166.2 | -157.2 | 117.7 | -3.6 | 105.6 | E2 | E2-R4 IonicContact OE1-NH1 2.75Å; E2-R4 PolarHBondContact OE1-NH1 3.45Å | ||
| 5 | Q | 42.5 | Very low | 43.7 | Very low | 159 Ų | 159 | 165.6 Ų | 165.6 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | 53.1 | 131.9 | 69.4 | -73.9 | -173.5 | 9.8 | 0 | 0 | 114.8 | |||||
| 6 | D | 38.5 | Very low | 43.7 | Very low | 142 Ų | 142 | 163.4 Ų | 163.4 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | 83.1 | 126 | 168.2 | -44.3 | -36.2 | 0 | 0 | 0 | 114.4 | ||||
| 7 | E | 54.1 | Low | 43.4 | Very low | 194 Ų | 194 | 158.3 Ų | 158.3 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | -149.7 | 144.2 | 50.8 | -61.6 | -175.3 | 134.8 | 0 | 0 | 114.4 | |||||
| 8 | H | 45.6 | Very low | 43.3 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 82% | 0.819 | 82% | 0.824 | S | S | * | * | trans | -70 | 118.9 | 165.8 | -83.3 | -80.8 | 0 | 0 | 0 | 111.4 | ||||
| 9 | A | 43.5 | Very low | 43.1 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | trans | -98.7 | 82 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 10 | I | 45.7 | Very low | 42.9 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 70% | 0.703 | 82% | 0.819 | S | S | * | * | trans | -98.1 | 121.5 | 156.6 | -63.5 | 172.1 | 0 | 0 | 0 | 105.3 | ||||
| 11 | I | 40 | Very low | 43 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | trans | 179.5 | 111.1 | 142.9 | -93.1 | 152.6 | 0 | 0 | 0 | 112.1 | ||||
| 12 | R | 43.7 | Very low | 42.7 | Very low | 216 Ų | 216 | 147.2 Ų | 147.2 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | 72.6 | 117.8 | 141.1 | -62.2 | 173.1 | -151.7 | -121.9 | 2.1 | 121.2 | ||||
| 13 | P | 40.7 | Very low | 42.1 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 135.6 | 155.1 | 30.5 | -31.3 | 0 | 0 | 0 | 111.6 | ||
| 14 | S | 41.5 | Very low | 42.1 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 126.6 | 176.5 | 42.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 15 | R | 45.9 | Very low | 41.6 | Very low | 246 Ų | 246 | 139 Ų | 139 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 143.5 | 160.8 | -80.7 | -176.4 | -179 | -169.4 | -0 | 110.2 | ||
| 16 | P | 44.8 | Very low | 41.2 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | -138.8 | 162.4 | 111.3 | 36.3 | -23.1 | 0 | 0 | 0 | 110 | |||||
| 17 | G | 37.6 | Very low | 41 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | cis | -165.5 | 160.4 | 5.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 18 | S | 41.5 | Very low | 40.1 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 131.1 | -175.8 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 19 | A | 40.1 | Very low | 39.5 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -150.8 | 107.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 20 | G | 38.3 | Very low | 39.3 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -73.3 | 171.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 21 | P | 46.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -147.6 | 167.2 | 57.3 | 35.3 | -14.1 | 0 | 0 | 0 | 117 | |||||
| 22 | R | 34 | Very low | 38.3 | Very low | 234 Ų | 234 | 126.4 Ų | 126.4 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 66.1 | 101.4 | 143.8 | -72.7 | 166.5 | -174.1 | -140.1 | 1.2 | 119 | ||||
| 23 | S | 33.8 | Very low | 37.8 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -55.3 | 148 | 142.1 | 43.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | P | 40.2 | Very low | 37.4 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -141.4 | 155.4 | 98.5 | 36.7 | -22.6 | 0 | 0 | 0 | 113.6 | |||||
| 25 | G | 34.9 | Very low | 37.3 | Very low | 63 Ų | 63 | 127.4 Ų | 127.4 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | 101.3 | 72.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V27 | G25-V27 PolarHBondContact O-N 3.17Š| ||
| 26 | L | 35.5 | Very low | 37.1 | Very low | 158 Ų | 158 | 120.8 Ų | 120.8 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -67 | 87.8 | 152.5 | -155.1 | 95.3 | 0 | 0 | 0 | 107 | L28 | L26-L28 HydrophobicContact CD2-CD1 3.7Å; L26-L28 HydrophobicContact CD2-CG 4.25Å; L26-L28 PolarHBondContact O-N 3.18Å | ||
| 27 | V | 34 | Very low | 37.2 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -73.5 | 92.3 | 163.3 | -176.6 | 0 | 0 | 0 | 0 | 105.2 | G25 G29 | G25-V27 PolarHBondContact O-N 3.17Å; V27-G29 PolarHBondContact O-N 3.04Å | ||
| 28 | L | 34.8 | Very low | 37.9 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | -54.5 | 95.3 | 156.1 | -94.4 | 121.7 | 0 | 0 | 0 | 106.2 | L26 V30 | L26-L28 HydrophobicContact CD2-CD1 3.7Å; L26-L28 HydrophobicContact CD2-CG 4.25Å; L26-L28 PolarHBondContact O-N 3.18Å; L28-V30 HydrophobicContact CB-CG2 4.46Å; L28-V30 PolarHBondContact O-N 3.43Å | ||
| 29 | G | 33.3 | Very low | 38.3 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -63.5 | 80.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | V27 C31 | V27-G29 PolarHBondContact O-N 3.04Å; G29-C31 PolarHBondContact O-N 3.23Å | ||
| 30 | V | 38.4 | Very low | 39.1 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -57.3 | 100.7 | 155.6 | -178.7 | 0 | 0 | 0 | 0 | 103.2 | L28 G32 | L28-V30 HydrophobicContact CB-CG2 4.46Å; L28-V30 PolarHBondContact O-N 3.43Å; V30-G32 PolarHBondContact O-N 3.31Å | ||
| 31 | C | 31.9 | Very low | 40.1 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -63.8 | 84.7 | 164.9 | -146 | 0 | 0 | 0 | 0 | 104.2 | G29 F33 | G29-C31 PolarHBondContact O-N 3.23Å; C31-F33 PolarHBondContact O-N 2.96Å | ||
| 32 | G | 34.1 | Very low | 40.8 | Very low | 59 Ų | 59 | 133 Ų | 133 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | trans | -62.9 | 89.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | V30 H34 | V30-G32 PolarHBondContact O-N 3.31Å; G32-H34 PolarHBondContact O-N 2.8Å | ||
| 33 | F | 32.3 | Very low | 42.6 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -60.7 | 91.8 | 162.8 | -145.3 | -96 | 0 | 0 | 0 | 104.6 | C31 L35 | C31-F33 PolarHBondContact O-N 2.96Å; F33-L35 HydrophobicContact CD1-CD1 4.18Å; F33-L35 HydrophobicContact CD1-CG 4.26Å; F33-L35 PolarHBondContact O-N 3.47Å | ||
| 34 | H | 32.3 | Very low | 44.5 | Very low | 171 Ų | 171 | 127 Ų | 127 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -67.9 | 87.4 | 174.4 | -148.5 | 78.3 | 0 | 0 | 0 | 105.4 | G32 N36 | G32-H34 PolarHBondContact O-N 2.8Å; H34-N36 PolarHBondContact O-N 3.5Å | ||
| 35 | L | 39.4 | Very low | 45.9 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | trans | -64.6 | 86.7 | 169.6 | -102.8 | 129.8 | 0 | 0 | 0 | 106.5 | F33 M37 | F33-L35 HydrophobicContact CD1-CD1 4.18Å; F33-L35 HydrophobicContact CD1-CG 4.26Å; F33-L35 PolarHBondContact O-N 3.47Å; L35-M37 PolarHBondContact O-N 3.28Å | ||
| 36 | N | 41.5 | Very low | 47.6 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 58% | 0.578 | 71% | 0.708 | S | S | * | * | trans | -71.9 | 81.5 | 165.9 | -154 | -29.4 | 0 | 0 | 0 | 106.3 | H34 K38 | H34-N36 PolarHBondContact O-N 3.5Å; N36-K38 PolarHBondContact O-N 3.35Å; N36-K38 WeakPolarHBondContact OD1-CG 3.37Å | ||
| 37 | M | 48.1 | Very low | 49.3 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | trans | -68.6 | 76.8 | 162 | -85.8 | -163.3 | 61.9 | 0 | 0 | 107.8 | L35 E39 | L35-M37 PolarHBondContact O-N 3.28Å; M37-E39 PolarHBondContact O-N 3.05Å | ||
| 38 | K | 51.3 | Low | 51 | Low | 170 Ų | 170 | 123.5 Ų | 123.5 | 74% | 0.739 | 67% | 0.672 | S | S | * | * | trans | -68.7 | 116.3 | 153.6 | -80.5 | 175.9 | -178.8 | 179.2 | 0 | 105.9 | N36 A40 | N36-K38 PolarHBondContact O-N 3.35Å; N36-K38 WeakPolarHBondContact OD1-CG 3.37Å; K38-A40 PolarHBondContact O-N 2.71Å | ||
| 39 | E | 49.3 | Very low | 52.7 | Low | 163 Ų | 163 | 123.8 Ų | 123.8 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | trans | -34.9 | 124.4 | 167.9 | -68.4 | 172.7 | 139.3 | 0 | 0 | 110.3 | M37 I41 | M37-E39 PolarHBondContact O-N 3.05Å; E39-I41 HydrophobicContact CB-CG1 4.31Å; E39-I41 PolarHBondContact O-N 3.26Å | ||
| 40 | A | 56.8 | Low | 54.3 | Low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 66% | 0.663 | S | S | * | * | trans | -71.5 | 69.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | K38 M42 | K38-A40 PolarHBondContact O-N 2.71Å; A40-M42 VanDerWaalsContact C-N 3.34Å; A40-M42 PolarHBondContact O-N 3.3Å | ||
| 41 | I | 60.4 | Low | 55.5 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | trans | -66.7 | 103.7 | 158.4 | -58.5 | 175 | 0 | 0 | 0 | 104.4 | E39 N43 | E39-I41 HydrophobicContact CB-CG1 4.31Å; E39-I41 PolarHBondContact O-N 3.26Å; I41-N43 PolarHBondContact O-N 3.45Å | ||
| 42 | M | 61.3 | Low | 56.9 | Low | 135 Ų | 135 | 125.3 Ų | 125.3 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | trans | -51 | 103.2 | 176.3 | -179 | -171.5 | -70.7 | 0 | 0 | 108.6 | A40 Q44 L47 | A40-M42 VanDerWaalsContact C-N 3.34Å; A40-M42 PolarHBondContact O-N 3.3Å; M42-Q44 PolarHBondContact O-N 3.25Å; M42-L47 HydrophobicContact CG-CD2 4.42Å; M42-L47 HydrophobicContact SD-CD2 4Å | ||
| 43 | N | 71.6 | Confident | 58.2 | Low | 73 Ų | 73 | 129.7 Ų | 129.7 | 39% | 0.39 | 66% | 0.66 | S | S | . | * | trans | -76.1 | 97.6 | 178.8 | -174.9 | -43.3 | 0 | 0 | 0 | 107.7 | I41 E45 K46 L47 | I41-N43 PolarHBondContact O-N 3.45Å; N43-E45 PolarHBondContact O-N 3.45Å; N43-E45 PolarHBondContact OD1-N 3.15Å; N43-K46 HydrophobicContact CB-CB 4.22Å; N43-K46 HydrophobicContact CB-CD 4.19Å; N43-K46 HydrophobicContact CB-CG 4.27Å; N43-K46 PolarHBondContact O-N 2.73Å; N43-K46 VanDerWaalsContact O-N 3.08Å; N43-K46 PolarHBondContact OD1-N 2.81Å; N43-K46 VanDerWaalsContact OD1-N 3.17Å; N43-L47 PolarHBondContact O-N 2.81Å | ||
| 44 | Q | 72.8 | Confident | 59.5 | Low | 152 Ų | 152 | 125.6 Ų | 125.6 | 71% | 0.71 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -56.6 | -33.8 | -175.1 | -70.3 | -178.2 | -9.7 | 0 | 0 | 112.4 | M42 L47 A48 | M42-Q44 PolarHBondContact O-N 3.25Å; Q44-L47 PolarHBondContact O-N 2.86Å; Q44-A48 VanDerWaalsContact O-CB 3.26Å; Q44-A48 WeakPolarHBondContact O-CB 3.39Å; Q44-A48 PolarHBondContact O-N 2.88Å |
| 45 | E | 70.5 | Confident | 60.9 | Low | 134 Ų | 134 | 128 Ų | 128 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.2 | -38.1 | 178.2 | -60.3 | -173.2 | 166.5 | 0 | 0 | 112.7 | N43 K49 | N43-E45 PolarHBondContact O-N 3.45Å; N43-E45 PolarHBondContact OD1-N 3.15Å; E45-K49 WeakPolarHBondContact O-CB 3.41Å; E45-K49 WeakPolarHBondContact O-CD 3.33Å; E45-K49 WeakPolarHBondContact O-CG 3.49Å; E45-K49 PolarHBondContact O-N 2.8Å |
| 46 | K | 70.2 | Confident | 62.1 | Low | 138 Ų | 138 | 128.7 Ų | 128.7 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.6 | -37.6 | 175.6 | -68.6 | -177.5 | -177.7 | -179.5 | 0 | 110.7 | N43 K49 L50 | N43-K46 HydrophobicContact CB-CB 4.22Å; N43-K46 HydrophobicContact CB-CD 4.19Å; N43-K46 HydrophobicContact CB-CG 4.27Å; N43-K46 PolarHBondContact O-N 2.73Å; N43-K46 VanDerWaalsContact O-N 3.08Å; N43-K46 PolarHBondContact OD1-N 2.81Å; N43-K46 VanDerWaalsContact OD1-N 3.17Å; K46-K49 PolarHBondContact O-N 3.33Å; K46-L50 WeakPolarHBondContact O-CD1 3.27Å; K46-L50 PolarHBondContact O-N 3.18Å |
| 47 | L | 71.5 | Confident | 63.3 | Low | 82 Ų | 82 | 126.8 Ų | 126.8 | 43% | 0.429 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -65 | -43.6 | 174.7 | -159.4 | 80 | 0 | 0 | 0 | 111.6 | M42 N43 Q44 L50 Q51 | M42-L47 HydrophobicContact CG-CD2 4.42Å; M42-L47 HydrophobicContact SD-CD2 4Å; N43-L47 PolarHBondContact O-N 2.81Å; Q44-L47 PolarHBondContact O-N 2.86Å; L47-L50 PolarHBondContact O-N 2.75Å; L47-Q51 WeakPolarHBondContact O-CG 3.43Å; L47-Q51 PolarHBondContact O-N 3.08Å |
| 48 | A | 69.8 | Low | 64.6 | Low | 52 Ų | 52 | 121.5 Ų | 121.5 | 43% | 0.43 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.9 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q44 Q51 A52 | Q44-A48 VanDerWaalsContact O-CB 3.26Å; Q44-A48 WeakPolarHBondContact O-CB 3.39Å; Q44-A48 PolarHBondContact O-N 2.88Å; A48-Q51 PolarHBondContact O-N 3.1Å; A48-A52 PolarHBondContact O-N 3.26Å |
| 49 | K | 70.3 | Confident | 65.1 | Low | 138 Ų | 138 | 124.3 Ų | 124.3 | 60% | 0.6 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.5 | -39 | 173.7 | -74.1 | 167.9 | -175.2 | 169.1 | 0 | 112 | E45 K46 Q53 | E45-K49 WeakPolarHBondContact O-CB 3.41Å; E45-K49 WeakPolarHBondContact O-CD 3.33Å; E45-K49 WeakPolarHBondContact O-CG 3.49Å; E45-K49 PolarHBondContact O-N 2.8Å; K46-K49 PolarHBondContact O-N 3.33Å; K49-Q53 WeakPolarHBondContact O-CB 3.36Å; K49-Q53 PolarHBondContact O-N 2.95Å |
| 50 | L | 66.4 | Low | 66.1 | Low | 115 Ų | 115 | 120.6 Ų | 120.6 | 60% | 0.602 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.4 | -40.4 | 173.2 | -94.1 | 96.9 | 0 | 0 | 0 | 112 | K46 L47 A52 Q53 V54 | K46-L50 WeakPolarHBondContact O-CD1 3.27Å; K46-L50 PolarHBondContact O-N 3.18Å; L47-L50 PolarHBondContact O-N 2.75Å; L50-A52 PolarHBondContact O-N 3.04Å; L50-Q53 PolarHBondContact O-N 3.18Å; L50-Q53 VanDerWaalsContact O-N 3.16Å; L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 3.13Å; L50-V54 VanDerWaalsContact O-N 3.11Å |
| 51 | Q | 63.8 | Low | 66.9 | Low | 133 Ų | 133 | 118 Ų | 118 | 62% | 0.621 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.3 | -40.8 | 176.2 | -79.3 | -177.1 | -19.6 | 0 | 0 | 112.6 | L47 A48 Q53 V54 | L47-Q51 WeakPolarHBondContact O-CG 3.43Å; L47-Q51 PolarHBondContact O-N 3.08Å; A48-Q51 PolarHBondContact O-N 3.1Å; Q51-Q53 VanDerWaalsContact C-N 3.27Å; Q51-Q53 PolarHBondContact O-N 3.48Å; Q51-V54 PolarHBondContact O-N 3.31Å |
| 52 | A | 62 | Low | 67.4 | Low | 92 Ų | 92 | 116.2 Ų | 116.2 | 76% | 0.76 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.5 | -23.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A48 L50 | A48-A52 PolarHBondContact O-N 3.26Å; L50-A52 PolarHBondContact O-N 3.04Å |
| 53 | Q | 60.8 | Low | 67.8 | Low | 152 Ų | 152 | 121 Ų | 121 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -89.8 | -12.7 | 178.8 | -158.5 | 175.9 | 21.1 | 0 | 0 | 113.1 | K49 L50 Q51 R55 | K49-Q53 WeakPolarHBondContact O-CB 3.36Å; K49-Q53 PolarHBondContact O-N 2.95Å; L50-Q53 PolarHBondContact O-N 3.18Å; L50-Q53 VanDerWaalsContact O-N 3.16Å; Q51-Q53 VanDerWaalsContact C-N 3.27Å; Q51-Q53 PolarHBondContact O-N 3.48Å; Q53-R55 PolarHBondContact O-N 3.3Å |
| 54 | V | 59.3 | Low | 68.1 | Low | 90 Ų | 90 | 129 Ų | 129 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -68.6 | 103.9 | 170.5 | -157.9 | 0 | 0 | 0 | 0 | 107 | L50 Q51 I56 | L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 3.13Å; L50-V54 VanDerWaalsContact O-N 3.11Å; Q51-V54 PolarHBondContact O-N 3.31Å; V54-I56 HydrophobicContact CB-CG1 4.46Å; V54-I56 HydrophobicContact CG1-CG1 4.36Å; V54-I56 PolarHBondContact O-N 2.78Å |
| 55 | R | 61.3 | Low | 68.1 | Low | 221 Ų | 221 | 131 Ų | 131 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | trans | -63.5 | 72.4 | 177.2 | -67.5 | 171.6 | 173.6 | 148.9 | -3.7 | 110.5 | Q53 G57 | Q53-R55 PolarHBondContact O-N 3.3Å; R55-G57 PolarHBondContact O-N 3.37Å | ||
| 56 | I | 65.9 | Low | 68.4 | Low | 149 Ų | 149 | 133.4 Ų | 133.4 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | trans | -74.2 | 106.5 | 168.2 | -57.2 | 176.2 | 0 | 0 | 0 | 105.3 | V54 G58 | V54-I56 HydrophobicContact CB-CG1 4.46Å; V54-I56 HydrophobicContact CG1-CG1 4.36Å; V54-I56 PolarHBondContact O-N 2.78Å; I56-G58 PolarHBondContact O-N 3Å | ||
| 57 | G | 66.9 | Low | 68.8 | Low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -50.7 | 110.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R55 | R55-G57 PolarHBondContact O-N 3.37Š| ||
| 58 | G | 74.8 | Confident | 69 | Low | 51 Ų | 51 | 135.5 Ų | 135.5 | 53% | 0.526 | 71% | 0.709 | S | S | . | * | trans | -95 | 170.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I56 G60 S61 | I56-G58 PolarHBondContact O-N 3Å; G58-G60 PolarHBondContact O-N 3.34Å; G58-G60 VanDerWaalsContact O-N 3.09Å; G58-S61 VanDerWaalsContact O-CB 3.31Å; G58-S61 WeakPolarHBondContact O-CB 3.4Å; G58-S61 PolarHBondContact O-N 2.88Å | ||
| 59 | K | 60.8 | Low | 69.4 | Low | 230 Ų | 230 | 137.9 Ų | 137.9 | 100% | 1 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 108.2 | 175.8 | -163.8 | 172.3 | -175.6 | 179.4 | 0 | 109.2 | ||
| 60 | G | 71.9 | Confident | 69.8 | Low | 85 Ų | 85 | 138.9 Ų | 138.9 | 88% | 0.876 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.5 | -5.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G58 | G58-G60 PolarHBondContact O-N 3.34Å; G58-G60 VanDerWaalsContact O-N 3.09Å |
| 61 | S | 71.6 | Confident | 70.3 | Confident | 51 Ų | 51 | 142.6 Ų | 142.6 | 36% | 0.357 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -66.4 | 140.9 | 171.7 | -173.8 | 0 | 0 | 0 | 0 | 111 | G58 R63 | G58-S61 VanDerWaalsContact O-CB 3.31Å; G58-S61 WeakPolarHBondContact O-CB 3.4Å; G58-S61 PolarHBondContact O-N 2.88Å; S61-R63 PolarHBondContact O-N 3.37Å |
| 62 | A | 71.6 | Confident | 70.9 | Confident | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -61.5 | 98.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R64 | A62-R64 PolarHBondContact O-N 2.74Š| ||
| 63 | R | 71.1 | Confident | 71.5 | Confident | 235 Ų | 235 | 139.7 Ų | 139.7 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | trans | -73.4 | 116.8 | 175.3 | -170.1 | 174.5 | -176.8 | -135 | 3.1 | 108.7 | S61 K65 | S61-R63 PolarHBondContact O-N 3.37Å; R63-K65 PolarHBondContact O-N 2.99Å; R63-K65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | R | 76.3 | Confident | 72.3 | Confident | 241 Ų | 241 | 137.6 Ų | 137.6 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -60.9 | 115.8 | 171.5 | -167.9 | -179.4 | -169.3 | -168.8 | 4.2 | 108.1 | A62 K66 | A62-R64 PolarHBondContact O-N 2.74Å; R64-K66 PolarHBondContact O-N 3.44Å | ||
| 65 | K | 73.9 | Confident | 73.1 | Confident | 193 Ų | 193 | 135.4 Ų | 135.4 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | -60.1 | 126.7 | 172.9 | -67.4 | -170.1 | 179.2 | -177.3 | 0 | 108 | R63 K67 | R63-K65 PolarHBondContact O-N 2.99Å; R63-K65 VanDerWaalsContact O-N 3.08Å; K65-K67 PolarHBondContact O-N 3.38Å | ||
| 66 | K | 76.8 | Confident | 74.2 | Confident | 185 Ų | 185 | 126.2 Ų | 126.2 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | -63 | 105.5 | 170.6 | -178.1 | -177.9 | -179.3 | -177.8 | 0 | 106.6 | R64 V68 | R64-K66 PolarHBondContact O-N 3.44Å; K66-V68 VanDerWaalsContact C-N 3.33Å; K66-V68 HydrophobicContact CD-CG2 4.04Å; K66-V68 HydrophobicContact CG-CG2 4.03Å; K66-V68 PolarHBondContact O-N 3.21Å | ||
| 67 | K | 78.1 | Confident | 75.2 | Confident | 180 Ų | 180 | 122.3 Ų | 122.3 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | -71 | 97.9 | 167 | -172.1 | -178.8 | -176.7 | -178 | 0 | 106.4 | K65 V69 | K65-K67 PolarHBondContact O-N 3.38Å; K67-V69 HydrophobicContact CD-CG2 3.94Å; K67-V69 HydrophobicContact CG-CG2 3.91Å; K67-V69 PolarHBondContact O-N 2.81Å; K67-V69 VanDerWaalsContact O-N 3.13Å | ||
| 68 | V | 75.9 | Confident | 76.2 | Confident | 85 Ų | 85 | 126.7 Ų | 126.7 | 52% | 0.515 | 66% | 0.658 | S | S | . | * | trans | -73.9 | 100.9 | 166.6 | -178.5 | 0 | 0 | 0 | 0 | 105.5 | K66 H70 | K66-V68 VanDerWaalsContact C-N 3.33Å; K66-V68 HydrophobicContact CD-CG2 4.04Å; K66-V68 HydrophobicContact CG-CG2 4.03Å; K66-V68 PolarHBondContact O-N 3.21Å; V68-H70 PolarHBondContact O-N 2.82Å | ||
| 69 | V | 78.6 | Confident | 77 | Confident | 102 Ų | 102 | 130.8 Ų | 130.8 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | trans | -78.8 | 107 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 106.3 | K67 R71 | K67-V69 HydrophobicContact CD-CG2 3.94Å; K67-V69 HydrophobicContact CG-CG2 3.91Å; K67-V69 PolarHBondContact O-N 2.81Å; K67-V69 VanDerWaalsContact O-N 3.13Å; V69-R71 PolarHBondContact O-N 3.49Å; V69-R71 VanDerWaalsContact O-N 3.09Å | ||
| 70 | H | 77.8 | Confident | 78.3 | Confident | 158 Ų | 158 | 124.8 Ų | 124.8 | 73% | 0.731 | 64% | 0.64 | S | S | * | * | trans | -70 | 104.4 | 167 | -67.9 | -72.4 | 0 | 0 | 0 | 107.7 | V68 T72 | V68-H70 PolarHBondContact O-N 2.82Å; H70-T72 PolarHBondContact O-N 3.3Å | ||
| 71 | R | 76.8 | Confident | 79.1 | Confident | 194 Ų | 194 | 123.4 Ų | 123.4 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | trans | -72.6 | 112.3 | 173.2 | -173.8 | 170.9 | -178.7 | 175.7 | -2.3 | 107.5 | V69 D76 | V69-R71 PolarHBondContact O-N 3.49Å; V69-R71 VanDerWaalsContact O-N 3.09Å; R71-D76 WeakPolarHBondContact CD-OD2 3.23Å; R71-D76 WeakPolarHBondContact CG-OD2 3.31Å; R71-D76 IonicContact CZ-OD1 3.35Å; R71-D76 IonicContact CZ-OD2 3.53Å; R71-D76 IonicContact NE-OD1 3.09Å; R71-D76 PolarHBondContact NE-OD1 3.06Å; R71-D76 VanDerWaalsContact NE-OD1 3.09Å; R71-D76 IonicContact NE-OD2 2.71Å; R71-D76 PolarHBondContact NE-OD2 3.02Å; R71-D76 VanDerWaalsContact NH2-CG 3.3Å; R71-D76 IonicContact NH2-OD1 3.57Å; R71-D76 PolarHBondContact NH2-OD1 3.47Å; R71-D76 IonicContact NH2-OD2 2.95Å | ||
| 72 | T | 76.8 | Confident | 80.1 | Confident | 82 Ų | 82 | 126.9 Ų | 126.9 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | trans | -86.2 | 124.5 | 178.1 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | H70 T74 A75 | H70-T72 PolarHBondContact O-N 3.3Å; T72-T74 PolarHBondContact O-N 2.75Å; T72-T74 VanDerWaalsContact O-N 3.1Å; T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 VanDerWaalsContact O-N 3.14Å | ||
| 73 | A | 75.1 | Confident | 80.9 | Confident | 82 Ų | 82 | 125.1 Ų | 125.1 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -56.8 | -28.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A75 D76 D77 | A73-A75 PolarHBondContact O-N 2.8Å; A73-D76 PolarHBondContact O-N 3.25Å; A73-D77 PolarHBondContact O-N 3.38Å; A73-D77 VanDerWaalsContact O-N 3.13Å |
| 74 | T | 76.2 | Confident | 81.8 | Confident | 107 Ų | 107 | 115.5 Ų | 115.5 | 66% | 0.656 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.5 | -29.7 | -179.9 | 52.9 | 0 | 0 | 0 | 0 | 114 | T72 | T72-T74 PolarHBondContact O-N 2.75Å; T72-T74 VanDerWaalsContact O-N 3.1Å |
| 75 | A | 77.9 | Confident | 82.4 | Confident | 45 Ų | 45 | 110.8 Ų | 110.8 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.1 | -30.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T72 A73 K79 | T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 VanDerWaalsContact O-N 3.14Å; A73-A75 PolarHBondContact O-N 2.8Å; A75-K79 WeakPolarHBondContact O-CG 3.43Å |
| 76 | D | 84.6 | Confident | 83.1 | Confident | 28 Ų | 28 | 108.8 Ų | 108.8 | 15% | 0.15 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -72.4 | -39.9 | 176.1 | -68.7 | -51.1 | 0 | 0 | 0 | 111.7 | R71 A73 K78 K79 L80 | R71-D76 WeakPolarHBondContact CD-OD2 3.23Å; R71-D76 WeakPolarHBondContact CG-OD2 3.31Å; R71-D76 IonicContact CZ-OD1 3.35Å; R71-D76 IonicContact CZ-OD2 3.53Å; R71-D76 IonicContact NE-OD1 3.09Å; R71-D76 PolarHBondContact NE-OD1 3.06Å; R71-D76 VanDerWaalsContact NE-OD1 3.09Å; R71-D76 IonicContact NE-OD2 2.71Å; R71-D76 PolarHBondContact NE-OD2 3.02Å; R71-D76 VanDerWaalsContact NH2-CG 3.3Å; R71-D76 IonicContact NH2-OD1 3.57Å; R71-D76 PolarHBondContact NH2-OD1 3.47Å; R71-D76 IonicContact NH2-OD2 2.95Å; A73-D76 PolarHBondContact O-N 3.25Å; D76-K78 VanDerWaalsContact C-N 3.31Å; D76-K78 PolarHBondContact O-N 2.75Å; D76-K79 WeakPolarHBondContact O-CA 3.31Å; D76-K79 WeakPolarHBondContact O-CB 3.29Å; D76-K79 PolarHBondContact O-N 3.47Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.14Å |
| 77 | D | 85.9 | Confident | 83.6 | Confident | 66 Ų | 66 | 106.1 Ų | 106.1 | 35% | 0.353 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 178.4 | -171.9 | 67.8 | 0 | 0 | 0 | 112.3 | A73 K79 L80 Q81 | A73-D77 PolarHBondContact O-N 3.38Å; A73-D77 VanDerWaalsContact O-N 3.13Å; D77-K79 VanDerWaalsContact C-N 3.3Å; D77-K79 PolarHBondContact O-N 2.82Å; D77-L80 PolarHBondContact O-N 3.31Å; D77-Q81 WeakPolarHBondContact O-CG 3.44Å; D77-Q81 PolarHBondContact O-N 3.15Å; D77-Q81 PolarHBondContact OD2-NE2 2.92Å |
| 78 | K | 88.9 | Confident | 84.1 | Confident | 160 Ų | 160 | 99.3 Ų | 99.3 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -36.9 | 175.6 | -67 | -175.5 | -178.6 | -177.3 | 0 | 112.7 | D76 F82 | D76-K78 VanDerWaalsContact C-N 3.31Å; D76-K78 PolarHBondContact O-N 2.75Å; K78-F82 PolarHBondContact O-N 3.02Å; K78-F82 VanDerWaalsContact O-N 3.11Å |
| 79 | K | 90.4 | Very high | 84.8 | Confident | 137 Ų | 137 | 95.9 Ų | 95.9 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.3 | -41.3 | 176.7 | -68.8 | 174.1 | -178.2 | 175.6 | 0 | 111 | A75 D76 D77 F82 S83 | A75-K79 WeakPolarHBondContact O-CG 3.43Å; D76-K79 WeakPolarHBondContact O-CA 3.31Å; D76-K79 WeakPolarHBondContact O-CB 3.29Å; D76-K79 PolarHBondContact O-N 3.47Å; D77-K79 VanDerWaalsContact C-N 3.3Å; D77-K79 PolarHBondContact O-N 2.82Å; K79-F82 PolarHBondContact O-N 3.29Å; K79-S83 PolarHBondContact O-N 2.95Å; K79-S83 PolarHBondContact O-OG 2.92Å |
| 80 | L | 88.8 | Confident | 85.4 | Confident | 105 Ų | 105 | 96.6 Ų | 96.6 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 175.7 | -67.7 | 174.4 | 0 | 0 | 0 | 110.7 | D76 D77 F82 S83 L84 | D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.14Å; D77-L80 PolarHBondContact O-N 3.31Å; L80-F82 VanDerWaalsContact C-N 3.27Å; L80-F82 PolarHBondContact O-N 3.03Å; L80-S83 PolarHBondContact O-N 3.42Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.23Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.89Å |
| 81 | Q | 89.1 | Confident | 86 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 26% | 0.262 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59 | -37.3 | 175.4 | -71.5 | -171.7 | 24.5 | 0 | 0 | 112.7 | D77 K85 | D77-Q81 WeakPolarHBondContact O-CG 3.44Å; D77-Q81 PolarHBondContact O-N 3.15Å; D77-Q81 PolarHBondContact OD2-NE2 2.92Å; Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.25Å; Q81-K85 WeakPolarHBondContact O-CG 3.45Å; Q81-K85 PolarHBondContact O-N 2.91Å |
| 82 | F | 90.8 | Very high | 86.6 | Confident | 123 Ų | 123 | 87.6 Ų | 87.6 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 176.2 | -175.7 | -112.4 | 0 | 0 | 0 | 112.4 | K78 K79 L80 K85 K86 | K78-F82 PolarHBondContact O-N 3.02Å; K78-F82 VanDerWaalsContact O-N 3.11Å; K79-F82 PolarHBondContact O-N 3.29Å; L80-F82 VanDerWaalsContact C-N 3.27Å; L80-F82 PolarHBondContact O-N 3.03Å; F82-K85 PolarHBondContact O-N 2.94Å; F82-K86 HydrophobicContact CE1-CD 4.29Å; F82-K86 VanDerWaalsContact CZ-CE 3.42Å; F82-K86 PolarHBondContact O-N 2.86Å; F82-K86 VanDerWaalsContact O-N 3.16Å |
| 83 | S | 89.4 | Confident | 87.3 | Confident | 64 Ų | 64 | 88.9 Ų | 88.9 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.1 | -64.2 | 0 | 0 | 0 | 0 | 112 | K79 L80 K86 L87 | K79-S83 PolarHBondContact O-N 2.95Å; K79-S83 PolarHBondContact O-OG 2.92Å; L80-S83 PolarHBondContact O-N 3.42Å; S83-K86 WeakPolarHBondContact O-CB 3.26Å; S83-K86 PolarHBondContact O-N 2.68Å; S83-L87 PolarHBondContact O-N 3.38Å |
| 84 | L | 89.7 | Confident | 88 | Confident | 33 Ų | 33 | 88.6 Ų | 88.6 | 17% | 0.173 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 176.2 | -74.1 | 170.2 | 0 | 0 | 0 | 111 | L80 K86 L87 G88 V89 T125 | L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.23Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.89Å; L84-K86 PolarHBondContact O-N 2.87Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.85Å; L84-G88 PolarHBondContact O-N 3.43Å; L84-V89 HydrophobicContact CB-CG2 3.53Å; L84-V89 HydrophobicContact CD2-CG2 4.04Å; L84-V89 HydrophobicContact CG-CG2 4.36Å; L84-V89 WeakPolarHBondContact O-CG2 2.99Å; L84-T125 HydrophobicContact CD1-CG2 3.82Å; L84-T125 HydrophobicContact CD2-CG2 4.28Å; L84-T125 WeakPolarHBondContact CD2-OG1 2.99Å |
| 85 | K | 89 | Confident | 88.8 | Confident | 142 Ų | 142 | 86.3 Ų | 86.3 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.1 | -34.6 | 175.8 | -75.5 | 174.8 | -176.9 | -175.9 | 0 | 113.4 | Q81 F82 L87 G88 | Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.25Å; Q81-K85 WeakPolarHBondContact O-CG 3.45Å; Q81-K85 PolarHBondContact O-N 2.91Å; F82-K85 PolarHBondContact O-N 2.94Å; K85-L87 VanDerWaalsContact C-N 3.31Å; K85-L87 PolarHBondContact O-N 2.78Å; K85-G88 PolarHBondContact O-N 3.44Å |
| 86 | K | 89.6 | Confident | 89.4 | Confident | 151 Ų | 151 | 91.2 Ų | 91.2 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.6 | -30.5 | 175.2 | -73.9 | -177.1 | 178.2 | -179.8 | 0 | 113.6 | F82 S83 L84 G88 | F82-K86 HydrophobicContact CE1-CD 4.29Å; F82-K86 VanDerWaalsContact CZ-CE 3.42Å; F82-K86 PolarHBondContact O-N 2.86Å; F82-K86 VanDerWaalsContact O-N 3.16Å; S83-K86 WeakPolarHBondContact O-CB 3.26Å; S83-K86 PolarHBondContact O-N 2.68Å; L84-K86 PolarHBondContact O-N 2.87Å; K86-G88 PolarHBondContact O-N 2.86Å |
| 87 | L | 86.4 | Confident | 89.7 | Confident | 128 Ų | 128 | 93.5 Ų | 93.5 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -0.8 | 176 | -65 | 171 | 0 | 0 | 0 | 112.5 | S83 L84 K85 V89 | S83-L87 PolarHBondContact O-N 3.38Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.85Å; K85-L87 VanDerWaalsContact C-N 3.31Å; K85-L87 PolarHBondContact O-N 2.78Å; L87-V89 VanDerWaalsContact C-N 3.34Å |
| 88 | G | 87.6 | Confident | 90.1 | Very high | 37 Ų | 37 | 91.8 Ų | 91.8 | 38% | 0.381 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 26 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | L84 K85 K86 | L84-G88 PolarHBondContact O-N 3.43Å; K85-G88 PolarHBondContact O-N 3.44Å; K86-G88 PolarHBondContact O-N 2.86Å |
| 89 | V | 91.4 | Very high | 90.2 | Very high | 14 Ų | 14 | 85.2 Ų | 85.2 | 9% | 0.085 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 129.7 | 169.4 | -82.2 | 0 | 0 | 0 | 0 | 110.5 | L84 L87 Q116 | L84-V89 HydrophobicContact CB-CG2 3.53Å; L84-V89 HydrophobicContact CD2-CG2 4.04Å; L84-V89 HydrophobicContact CG-CG2 4.36Å; L84-V89 WeakPolarHBondContact O-CG2 2.99Å; L87-V89 VanDerWaalsContact C-N 3.34Å; V89-Q116 HydrophobicContact CB-CB 4.27Å |
| 90 | N | 90.8 | Very high | 90.3 | Very high | 117 Ų | 117 | 82.3 Ų | 82.3 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143 | 178.2 | -67.5 | -38.9 | 0 | 0 | 0 | 110 | Q116 A117 | N90-Q116 CarbonylContact O-C 3.59Å; N90-Q116 VanDerWaalsContact O-CA 3.29Å; N90-Q116 WeakPolarHBondContact O-CA 3.5Å; N90-A117 PolarHBondContact N-O 3.46Å; N90-A117 PolarHBondContact O-N 3.39Å |
| 91 | N | 90.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 80.9 Ų | 80.9 | 47% | 0.465 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 124.6 | 178.6 | -149.4 | 94.6 | 0 | 0 | 0 | 109.3 | K114 Q116 | N91-K114 WeakPolarHBondContact OD1-CE 3.25Å; N91-Q116 HydrophobicContact CB-CG 4.31Å; N91-Q116 WeakPolarHBondContact OD1-CG 3.42Å; N91-Q116 PolarHBondContact OD1-NE2 3.18Å |
| 92 | I | 90.3 | Very high | 90.4 | Very high | 75 Ų | 75 | 80.9 Ų | 80.9 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121 | 175.5 | -58.2 | 179.4 | 0 | 0 | 0 | 107.6 | I95 V115 A117 | I92-I95 HydrophobicContact CG2-CD1 3.95Å; I92-I95 HydrophobicContact CG2-CG1 4.03Å; I92-V115 PolarHBondContact N-O 3.44Å; I92-A117 HydrophobicContact CD1-CB 3.59Å; I92-A117 HydrophobicContact CG1-CB 4.31Å |
| 93 | S | 90.4 | Very high | 90.1 | Very high | 110 Ų | 110 | 81 Ų | 81 | 77% | 0.769 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 154.7 | 175.6 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 94 | G | 90.8 | Very high | 89.7 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 78% | 0.784 | 46% | 0.457 | S | S | * | . | trans | 85 | 19.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 95 | I | 92.5 | Very high | 89.3 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 30% | 0.297 | 45% | 0.454 | S | S | . | . | trans | -82.2 | 117.5 | 169.9 | -56.7 | -58.6 | 0 | 0 | 0 | 108.6 | I92 E97 V98 P113 V115 | I92-I95 HydrophobicContact CG2-CD1 3.95Å; I92-I95 HydrophobicContact CG2-CG1 4.03Å; I95-E97 WeakPolarHBondContact CG2-O 3.33Å; I95-V98 HydrophobicContact CG2-CG2 3.78Å; I95-P113 HydrophobicContact CG2-CG 4.27Å; I95-V115 HydrophobicContact CB-CG2 4.21Å; I95-V115 HydrophobicContact CG1-CB 4.26Å; I95-V115 HydrophobicContact CG1-CG2 4.11Å; I95-V115 HydrophobicContact CG2-CG2 4.09Å | ||
| 96 | E | 91.8 | Very high | 89.3 | Confident | 148 Ų | 148 | 78.1 Ų | 78.1 | 69% | 0.692 | 44% | 0.435 | S | S | * | . | trans | -79 | -42.1 | 176.8 | -65.9 | -177.8 | 178.1 | 0 | 0 | 111.1 | N112 | E96-N112 VanDerWaalsContact O-CA 3.29Å; E96-N112 WeakPolarHBondContact O-CA 3.29Å; E96-N112 PolarHBondContact O-N 3.43Å | ||
| 97 | E | 91 | Very high | 89.3 | Confident | 76 Ų | 76 | 71 Ų | 71 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 151.3 | -176.6 | 51.9 | 178.9 | -143.4 | 0 | 0 | 112.7 | I95 H109 F110 Q145 | I95-E97 WeakPolarHBondContact CG2-O 3.33Å; E97-H109 IonicContact OE2-CE1 3.31Å; E97-F110 VanDerWaalsContact CA-O 3.26Å; E97-F110 WeakPolarHBondContact CA-O 3.18Å; E97-Q145 PolarHBondContact OE1-NE2 3.13Å |
| 98 | V | 92.4 | Very high | 89.7 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.1 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | I95 F110 P113 V115 I126 | I95-V98 HydrophobicContact CG2-CG2 3.78Å; V98-F110 HydrophobicContact CB-CB 4.23Å; V98-F110 HydrophobicContact CB-CD2 4.38Å; V98-F110 PolarHBondContact N-O 3.22Å; V98-F110 PolarHBondContact O-N 2.86Å; V98-P113 HydrophobicContact CB-CG 4.14Å; V98-P113 HydrophobicContact CG2-CG 3.64Å; V98-V115 HydrophobicContact CG2-CG2 3.92Å; V98-I126 HydrophobicContact CG1-CD1 3.75Å; V98-I126 HydrophobicContact CG1-CG1 4.49Å |
| 99 | N | 92.8 | Very high | 90 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.1 | 179.5 | -66.7 | -49.1 | 0 | 0 | 0 | 109.4 | F101 V107 H109 I142 Q145 | N99-F101 HydrophobicContact CB-CE2 4.25Å; N99-F101 HydrophobicContact CB-CZ 4.14Å; N99-V107 HydrophobicContact CB-CG1 3.9Å; N99-H109 PolarHBondContact OD1-ND1 3.12Å; N99-I142 HydrophobicContact CB-CD1 4.18Å; N99-I142 WeakPolarHBondContact ND2-CD1 3.46Å; N99-Q145 PolarHBondContact ND2-OE1 3.02Å |
| 100 | M | 92.4 | Very high | 90.2 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.4 | 170.7 | -55.3 | -175.4 | 179.4 | 0 | 0 | 109 | V107 I108 F110 I126 | M100-V107 WeakPolarHBondContact O-CA 3.13Å; M100-I108 HydrophobicContact CB-CB 4.19Å; M100-I108 PolarHBondContact N-O 3.27Å; M100-I108 PolarHBondContact O-N 3.46Å; M100-F110 HydrophobicContact CE-CE2 3.87Å; M100-F110 HydrophobicContact CE-CZ 4.37Å; M100-F110 HydrophobicContact CG-CE2 4.32Å; M100-F110 HydrophobicContact SD-CE2 4.09Å; M100-I126 HydrophobicContact CE-CD1 3.34Å |
| 101 | F | 90.3 | Very high | 90.3 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.9 | 177.8 | -60.5 | -77.3 | 0 | 0 | 0 | 110.5 | N99 V107 L135 I142 Q145 L146 | N99-F101 HydrophobicContact CB-CE2 4.25Å; N99-F101 HydrophobicContact CB-CZ 4.14Å; F101-V107 HydrophobicContact CD1-CG1 4.39Å; F101-V107 HydrophobicContact CD1-CG2 3.66Å; F101-V107 HydrophobicContact CE1-CG1 4.32Å; F101-V107 HydrophobicContact CE1-CG2 3.81Å; F101-L135 HydrophobicContact CD1-CD1 4.38Å; F101-L135 HydrophobicContact CE1-CD1 4.05Å; F101-I142 HydrophobicContact CE1-CD1 3.9Å; F101-I142 HydrophobicContact CE1-CG1 3.58Å; F101-I142 HydrophobicContact CZ-CD1 3.65Å; F101-I142 HydrophobicContact CZ-CG1 3.73Å; F101-Q145 HydrophobicContact CZ-CB 4.27Å; F101-L146 HydrophobicContact CD1-CD2 3.45Å; F101-L146 VanDerWaalsContact CD1-CD2 3.45Å; F101-L146 HydrophobicContact CE1-CD2 3.25Å; F101-L146 HydrophobicContact CE1-CG 3.9Å; F101-L146 HydrophobicContact CE2-CD2 4.35Å; F101-L146 HydrophobicContact CG-CD2 4.11Å; F101-L146 HydrophobicContact CZ-CD2 3.74Å; F101-L146 HydrophobicContact CZ-CG 4.1Å |
| 102 | T | 88.4 | Confident | 90.4 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | trans | -100 | 160.2 | 170.6 | 69.7 | 0 | 0 | 0 | 0 | 110 | Q104 T106 | T102-Q104 PolarHBondContact O-N 2.8Å; T102-T106 PolarHBondContact N-O 2.88Å; T102-T106 PolarHBondContact OG1-O 3.43Å | ||
| 103 | N | 84.6 | Confident | 90.7 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 67% | 0.668 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -8.3 | 176.6 | 61.2 | -14 | 0 | 0 | 0 | 113.8 | G105 | N103-G105 VanDerWaalsContact C-N 3.27Å; N103-G105 PolarHBondContact O-N 2.73Å |
| 104 | Q | 81.6 | Confident | 90.8 | Very high | 132 Ų | 132 | 62.5 Ų | 62.5 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 10.9 | -178.6 | -54.3 | -54.6 | -53.4 | 0 | 0 | 113.2 | T102 T106 | T102-Q104 PolarHBondContact O-N 2.8Å; Q104-T106 PolarHBondContact O-N 2.83Å |
| 105 | G | 81.3 | Confident | 90.9 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 72.3 | 16.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N103 L135 | N103-G105 VanDerWaalsContact C-N 3.27Å; N103-G105 PolarHBondContact O-N 2.73Å; G105-L135 WeakPolarHBondContact O-CB 3.45Å; G105-L135 PolarHBondContact O-N 2.87Å |
| 106 | T | 88.1 | Confident | 90.9 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.5 | 179.2 | -42.9 | 0 | 0 | 0 | 0 | 110.3 | T102 Q104 T132 K133 | T102-T106 PolarHBondContact N-O 2.88Å; T102-T106 PolarHBondContact OG1-O 3.43Å; Q104-T106 PolarHBondContact O-N 2.83Å; T106-T132 HydrophobicContact CG2-CG2 3.19Å; T106-K133 WeakPolarHBondContact CG2-O 3.36Å |
| 107 | V | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.1 | 177 | -174.4 | 0 | 0 | 0 | 0 | 109 | N99 M100 F101 H109 K133 L135 | N99-V107 HydrophobicContact CB-CG1 3.9Å; M100-V107 WeakPolarHBondContact O-CA 3.13Å; F101-V107 HydrophobicContact CD1-CG1 4.39Å; F101-V107 HydrophobicContact CD1-CG2 3.66Å; F101-V107 HydrophobicContact CE1-CG1 4.32Å; F101-V107 HydrophobicContact CE1-CG2 3.81Å; V107-H109 PolarHBondContact O-N 2.98Å; V107-K133 PolarHBondContact N-O 3.05Å; V107-K133 PolarHBondContact O-N 3.27Å; V107-L135 HydrophobicContact CG2-CB 4.16Å; V107-L135 HydrophobicContact CG2-CD1 3.53Å; V107-L135 HydrophobicContact CG2-CG 4.34Å |
| 108 | I | 93.7 | Very high | 91 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 26% | 0.256 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 105.8 | 165.8 | -51 | 174.6 | 0 | 0 | 0 | 106.3 | M100 F110 A130 | M100-I108 HydrophobicContact CB-CB 4.19Å; M100-I108 PolarHBondContact N-O 3.27Å; M100-I108 PolarHBondContact O-N 3.46Å; I108-F110 HydrophobicContact CB-CE2 4.42Å; I108-F110 HydrophobicContact CG2-CD2 4.35Å; I108-F110 HydrophobicContact CG2-CE2 3.6Å; I108-F110 HydrophobicContact CG2-CZ 3.95Å; I108-A130 HydrophobicContact CG2-CB 3.88Å |
| 109 | H | 93.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.6 | -179.7 | 178.6 | 72.6 | 0 | 0 | 0 | 110.5 | E97 N99 V107 E131 M138 | E97-H109 IonicContact OE2-CE1 3.31Å; N99-H109 PolarHBondContact OD1-ND1 3.12Å; V107-H109 PolarHBondContact O-N 2.98Å; H109-E131 PolarHBondContact N-O 3.17Å; H109-E131 PolarHBondContact O-N 2.94Å; H109-M138 HydrophobicContact CB-SD 4.18Å |
| 110 | F | 95.7 | Very high | 90.6 | Very high | 22 Ų | 22 | 57 Ų | 57 | 10% | 0.096 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.1 | 170.5 | -64.7 | -96 | 0 | 0 | 0 | 108.8 | E97 V98 M100 I108 P113 I126 H129 A130 | E97-F110 VanDerWaalsContact CA-O 3.26Å; E97-F110 WeakPolarHBondContact CA-O 3.18Å; V98-F110 HydrophobicContact CB-CB 4.23Å; V98-F110 HydrophobicContact CB-CD2 4.38Å; V98-F110 PolarHBondContact N-O 3.22Å; V98-F110 PolarHBondContact O-N 2.86Å; M100-F110 HydrophobicContact CE-CE2 3.87Å; M100-F110 HydrophobicContact CE-CZ 4.37Å; M100-F110 HydrophobicContact CG-CE2 4.32Å; M100-F110 HydrophobicContact SD-CE2 4.09Å; I108-F110 HydrophobicContact CB-CE2 4.42Å; I108-F110 HydrophobicContact CG2-CD2 4.35Å; I108-F110 HydrophobicContact CG2-CE2 3.6Å; I108-F110 HydrophobicContact CG2-CZ 3.95Å; F110-P113 HydrophobicContact CB-CB 3.94Å; F110-P113 HydrophobicContact CB-CG 3.82Å; F110-I126 HydrophobicContact CD1-CG2 3.97Å; F110-I126 HydrophobicContact CD2-CG2 4.32Å; F110-I126 HydrophobicContact CE1-CG2 4.13Å; F110-I126 HydrophobicContact CE2-CG2 4.48Å; F110-I126 HydrophobicContact CG-CG2 4.07Å; F110-I126 HydrophobicContact CZ-CG2 4.39Å; F110-H129 VanDerWaalsContact CD1-O 3.26Å; F110-H129 WeakPolarHBondContact CD1-O 3.4Å; F110-A130 HydrophobicContact CD1-CB 4.12Å; F110-A130 HydrophobicContact CE1-CB 3.44Å; F110-A130 VanDerWaalsContact CE1-CB 3.44Å; F110-A130 HydrophobicContact CE2-CB 4.41Å; F110-A130 HydrophobicContact CZ-CB 3.61Å |
| 111 | N | 93.8 | Very high | 90.5 | Very high | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.5 | 174.3 | -169.3 | -89.7 | 0 | 0 | 0 | 110 | P113 | N111-P113 VanDerWaalsContact C-CD 3.5Å |
| 112 | N | 93.2 | Very high | 90.5 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 42.3 | 54.3 | -176.2 | -62.3 | 115.4 | 0 | 0 | 0 | 114.9 | E96 | E96-N112 VanDerWaalsContact O-CA 3.29Å; E96-N112 WeakPolarHBondContact O-CA 3.29Å; E96-N112 PolarHBondContact O-N 3.43Å |
| 113 | P | 95 | Very high | 90.6 | Very high | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | trans | -74.1 | 156.1 | -178 | 29.9 | -33.3 | 0 | 0 | 0 | 112.9 | I95 V98 F110 N111 V115 I126 | I95-P113 HydrophobicContact CG2-CG 4.27Å; V98-P113 HydrophobicContact CB-CG 4.14Å; V98-P113 HydrophobicContact CG2-CG 3.64Å; F110-P113 HydrophobicContact CB-CB 3.94Å; F110-P113 HydrophobicContact CB-CG 3.82Å; N111-P113 VanDerWaalsContact C-CD 3.5Å; P113-V115 HydrophobicContact CB-CG2 4.32Å; P113-V115 HydrophobicContact CG-CG2 4Å; P113-V115 PolarHBondContact O-N 3.18Å; P113-I126 HydrophobicContact CB-CG2 3.92Å; P113-I126 HydrophobicContact CG-CG2 4.43Å | ||
| 114 | K | 93.1 | Very high | 91 | Very high | 95 Ų | 95 | 58.8 Ų | 58.8 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 112.1 | 165.2 | -173.5 | 179.9 | 178.7 | -176.2 | 0 | 108.9 | N91 T127 | N91-K114 WeakPolarHBondContact OD1-CE 3.25Å; K114-T127 PolarHBondContact N-O 3.01Å; K114-T127 PolarHBondContact O-N 3.41Å |
| 115 | V | 93.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.2 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | I92 I95 V98 P113 I126 | I92-V115 PolarHBondContact N-O 3.44Å; I95-V115 HydrophobicContact CB-CG2 4.21Å; I95-V115 HydrophobicContact CG1-CB 4.26Å; I95-V115 HydrophobicContact CG1-CG2 4.11Å; I95-V115 HydrophobicContact CG2-CG2 4.09Å; V98-V115 HydrophobicContact CG2-CG2 3.92Å; P113-V115 HydrophobicContact CB-CG2 4.32Å; P113-V115 HydrophobicContact CG-CG2 4Å; P113-V115 PolarHBondContact O-N 3.18Å; V115-I126 HydrophobicContact CG1-CG1 4.37Å; V115-I126 HydrophobicContact CG2-CG1 4.29Å |
| 116 | Q | 92.1 | Very high | 92.2 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132 | 168.5 | -65 | 177.2 | -12.7 | 0 | 0 | 107.8 | V89 N90 N91 F124 T125 | V89-Q116 HydrophobicContact CB-CB 4.27Å; N90-Q116 CarbonylContact O-C 3.59Å; N90-Q116 VanDerWaalsContact O-CA 3.29Å; N90-Q116 WeakPolarHBondContact O-CA 3.5Å; N91-Q116 HydrophobicContact CB-CG 4.31Å; N91-Q116 WeakPolarHBondContact OD1-CG 3.42Å; N91-Q116 PolarHBondContact OD1-NE2 3.18Å; Q116-F124 CarbonylContact O-C 3.58Å; Q116-T125 PolarHBondContact N-O 3.43Å; Q116-T125 PolarHBondContact O-N 3.01Å |
| 117 | A | 93.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N90 I92 T123 F124 | N90-A117 PolarHBondContact N-O 3.46Å; N90-A117 PolarHBondContact O-N 3.39Å; I92-A117 HydrophobicContact CD1-CB 3.59Å; I92-A117 HydrophobicContact CG1-CB 4.31Å; A117-T123 CarbonylContact C-O 3.58Å; A117-T123 WeakPolarHBondContact CA-O 3.45Å; A117-F124 HydrophobicContact CB-CD1 3.46Å; A117-F124 VanDerWaalsContact CB-CD1 3.46Å; A117-F124 HydrophobicContact CB-CE1 3.64Å; A117-F124 HydrophobicContact CB-CG 4.38Å |
| 118 | S | 92.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 105.8 | 165.5 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | A120 A121 N122 T123 | S118-A120 VanDerWaalsContact C-N 3.25Å; S118-A120 PolarHBondContact O-N 3.47Å; S118-A121 CarbonylContact O-C 3.56Å; S118-A121 PolarHBondContact O-N 2.96Å; S118-A121 PolarHBondContact OG-N 3.26Å; S118-N122 PolarHBondContact O-N 3.17Å; S118-T123 PolarHBondContact N-O 2.85Å; S118-T123 PolarHBondContact O-N 2.8Å; S118-T123 VanDerWaalsContact O-N 3.12Å |
| 119 | L | 87.8 | Confident | 92.3 | Very high | 144 Ų | 144 | 63.4 Ų | 63.4 | 75% | 0.754 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -33.8 | 178.8 | -161.6 | 73.1 | 0 | 0 | 0 | 110.9 | A121 N122 | L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 3.22Å; L119-N122 PolarHBondContact O-N 3.34Å; L119-N122 PolarHBondContact O-OD1 3.34Å |
| 120 | A | 88.7 | Confident | 92.4 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 85% | 0.851 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -32.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S118 | S118-A120 VanDerWaalsContact C-N 3.25Å; S118-A120 PolarHBondContact O-N 3.47Å |
| 121 | A | 88.9 | Confident | 92.2 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 6.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S118 L119 T123 | S118-A121 CarbonylContact O-C 3.56Å; S118-A121 PolarHBondContact O-N 2.96Å; S118-A121 PolarHBondContact OG-N 3.26Å; L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 3.22Å; A121-T123 PolarHBondContact O-N 3.16Å; A121-T123 PolarHBondContact O-OG1 2.87Å |
| 122 | N | 90.8 | Very high | 92.2 | Very high | 128 Ų | 128 | 68 Ų | 68 | 68% | 0.684 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 36 | -174.2 | -62.5 | -38.1 | 0 | 0 | 0 | 113.4 | S118 L119 | S118-N122 PolarHBondContact O-N 3.17Å; L119-N122 PolarHBondContact O-N 3.34Å; L119-N122 PolarHBondContact O-OD1 3.34Å |
| 123 | T | 91.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 65.8 Ų | 65.8 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.9 | -173.9 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | A117 S118 A121 | A117-T123 CarbonylContact C-O 3.58Å; A117-T123 WeakPolarHBondContact CA-O 3.45Å; S118-T123 PolarHBondContact N-O 2.85Å; S118-T123 PolarHBondContact O-N 2.8Å; S118-T123 VanDerWaalsContact O-N 3.12Å; A121-T123 PolarHBondContact O-N 3.16Å; A121-T123 PolarHBondContact O-OG1 2.87Å |
| 124 | F | 93.4 | Very high | 91.9 | Very high | 120 Ų | 120 | 70.7 Ų | 70.7 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.4 | 176.9 | -60.7 | -90.5 | 0 | 0 | 0 | 109.3 | Q116 A117 | Q116-F124 CarbonylContact O-C 3.58Å; A117-F124 HydrophobicContact CB-CD1 3.46Å; A117-F124 VanDerWaalsContact CB-CD1 3.46Å; A117-F124 HydrophobicContact CB-CE1 3.64Å; A117-F124 HydrophobicContact CB-CG 4.38Å |
| 125 | T | 92.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.9 | 171.3 | -54.7 | 0 | 0 | 0 | 0 | 107.6 | L84 Q116 | L84-T125 HydrophobicContact CD1-CG2 3.82Å; L84-T125 HydrophobicContact CD2-CG2 4.28Å; L84-T125 WeakPolarHBondContact CD2-OG1 2.99Å; Q116-T125 PolarHBondContact N-O 3.43Å; Q116-T125 PolarHBondContact O-N 3.01Å |
| 126 | I | 93.8 | Very high | 91 | Very high | 44 Ų | 44 | 70.1 Ų | 70.1 | 23% | 0.226 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.7 | -178 | -63.3 | 149.2 | 0 | 0 | 0 | 106.6 | V98 M100 F110 P113 V115 | V98-I126 HydrophobicContact CG1-CD1 3.75Å; V98-I126 HydrophobicContact CG1-CG1 4.49Å; M100-I126 HydrophobicContact CE-CD1 3.34Å; F110-I126 HydrophobicContact CD1-CG2 3.97Å; F110-I126 HydrophobicContact CD2-CG2 4.32Å; F110-I126 HydrophobicContact CE1-CG2 4.13Å; F110-I126 HydrophobicContact CE2-CG2 4.48Å; F110-I126 HydrophobicContact CG-CG2 4.07Å; F110-I126 HydrophobicContact CZ-CG2 4.39Å; P113-I126 HydrophobicContact CB-CG2 3.92Å; P113-I126 HydrophobicContact CG-CG2 4.43Å; V115-I126 HydrophobicContact CG1-CG1 4.37Å; V115-I126 HydrophobicContact CG2-CG1 4.29Å |
| 127 | T | 91.4 | Very high | 90.8 | Very high | 74 Ų | 74 | 75.5 Ų | 75.5 | 45% | 0.454 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.7 | 178.1 | -51.4 | 0 | 0 | 0 | 0 | 108.5 | K114 | K114-T127 PolarHBondContact N-O 3.01Å; K114-T127 PolarHBondContact O-N 3.41Å |
| 128 | G | 91.4 | Very high | 90.4 | Very high | 45 Ų | 45 | 77 Ų | 77 | 46% | 0.464 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 173.4 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 129 | H | 92.9 | Very high | 90 | Very high | 133 Ų | 133 | 80.3 Ų | 80.3 | 62% | 0.616 | 46% | 0.457 | S | S | * | . | trans | -71.1 | 130 | 171 | -171.5 | -104.4 | 0 | 0 | 0 | 109.4 | F110 E131 | F110-H129 VanDerWaalsContact CD1-O 3.26Å; F110-H129 WeakPolarHBondContact CD1-O 3.4Å; H129-E131 VanDerWaalsContact CE1-CG 3.5Å; H129-E131 WeakPolarHBondContact CE1-CG 3.23Å; H129-E131 IonicContact CE1-OE1 3.53Å; H129-E131 WeakPolarHBondContact ND1-CG 3.35Å; H129-E131 IonicContact ND1-OE1 2.77Å; H129-E131 PolarHBondContact ND1-OE1 3.29Å | ||
| 130 | A | 94.6 | Very high | 89.7 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 41% | 0.405 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109 | I108 F110 | I108-A130 HydrophobicContact CG2-CB 3.88Å; F110-A130 HydrophobicContact CD1-CB 4.12Å; F110-A130 HydrophobicContact CE1-CB 3.44Å; F110-A130 VanDerWaalsContact CE1-CB 3.44Å; F110-A130 HydrophobicContact CE2-CB 4.41Å; F110-A130 HydrophobicContact CZ-CB 3.61Å |
| 131 | E | 92.8 | Very high | 89.5 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 34% | 0.341 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.8 | 175 | -69.2 | 176.1 | -168.5 | 0 | 0 | 109.5 | H109 H129 K133 | H109-E131 PolarHBondContact N-O 3.17Å; H109-E131 PolarHBondContact O-N 2.94Å; H129-E131 VanDerWaalsContact CE1-CG 3.5Å; H129-E131 WeakPolarHBondContact CE1-CG 3.23Å; H129-E131 IonicContact CE1-OE1 3.53Å; H129-E131 WeakPolarHBondContact ND1-CG 3.35Å; H129-E131 IonicContact ND1-OE1 2.77Å; H129-E131 PolarHBondContact ND1-OE1 3.29Å; E131-K133 HydrophobicContact CB-CG 4.48Å; E131-K133 PolarHBondContact O-N 2.97Å; E131-K133 WeakPolarHBondContact OE2-CE 3.48Å; E131-K133 IonicContact OE2-NZ 3.55Å; E131-K133 PolarHBondContact OE2-NZ 3.11Å |
| 132 | T | 93.4 | Very high | 89.3 | Confident | 102 Ų | 102 | 73.2 Ų | 73.2 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 109.3 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 108.4 | T106 | T106-T132 HydrophobicContact CG2-CG2 3.19Å |
| 133 | K | 91.1 | Very high | 88.9 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 27% | 0.27 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 153.4 | -178.6 | -66.9 | -178.8 | -180 | 167 | 0 | 111.2 | T106 V107 E131 M138 | T106-K133 WeakPolarHBondContact CG2-O 3.36Å; V107-K133 PolarHBondContact N-O 3.05Å; V107-K133 PolarHBondContact O-N 3.27Å; E131-K133 HydrophobicContact CB-CG 4.48Å; E131-K133 PolarHBondContact O-N 2.97Å; E131-K133 WeakPolarHBondContact OE2-CE 3.48Å; E131-K133 IonicContact OE2-NZ 3.55Å; E131-K133 PolarHBondContact OE2-NZ 3.11Å; K133-M138 HydrophobicContact CB-CG 4.43Å; K133-M138 HydrophobicContact CB-SD 4.35Å; K133-M138 HydrophobicContact CD-CG 4.36Å; K133-M138 HydrophobicContact CD-SD 4.09Å |
| 134 | Q | 89.8 | Confident | 88.7 | Confident | 112 Ų | 112 | 75 Ų | 75 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 144.4 | 169.6 | -73.3 | -141.3 | 51.9 | 0 | 0 | 110.5 | T136 E137 | Q134-T136 PolarHBondContact O-N 3.31Å; Q134-E137 HydrophobicContact CB-CG 4.14Å; Q134-E137 PolarHBondContact O-N 3.13Å; Q134-E137 VanDerWaalsContact O-N 3.15Å |
| 135 | L | 85.8 | Confident | 88.4 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -64.6 | -27.7 | -178.5 | -174.3 | 51.7 | 0 | 0 | 0 | 112.5 | F101 G105 V107 E137 M138 I142 L146 L154 | F101-L135 HydrophobicContact CD1-CD1 4.38Å; F101-L135 HydrophobicContact CE1-CD1 4.05Å; G105-L135 WeakPolarHBondContact O-CB 3.45Å; G105-L135 PolarHBondContact O-N 2.87Å; V107-L135 HydrophobicContact CG2-CB 4.16Å; V107-L135 HydrophobicContact CG2-CD1 3.53Å; V107-L135 HydrophobicContact CG2-CG 4.34Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-M138 PolarHBondContact O-N 3.01Å; L135-I142 HydrophobicContact CD1-CB 4.49Å; L135-I142 HydrophobicContact CD1-CG1 3.98Å; L135-I142 HydrophobicContact CD1-CG2 3.72Å; L135-L146 HydrophobicContact CD1-CD1 4.09Å; L135-L146 HydrophobicContact CD1-CD2 4.32Å; L135-L146 HydrophobicContact CD2-CD1 4.4Å; L135-L146 HydrophobicContact CD2-CD2 4.25Å; L135-L154 HydrophobicContact CB-CD2 4.21Å; L135-L154 HydrophobicContact CD2-CD1 3.28Å; L135-L154 HydrophobicContact CD2-CD2 3.48Å; L135-L154 VanDerWaalsContact CD2-CD2 3.48Å; L135-L154 HydrophobicContact CD2-CG 3.31Å; L135-L154 HydrophobicContact CG-CD1 3.82Å; L135-L154 HydrophobicContact CG-CD2 3.84Å; L135-L154 HydrophobicContact CG-CG 4.1Å |
| 136 | T | 83.9 | Confident | 88 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -65.8 | -32.5 | 175.5 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | Q134 M138 | Q134-T136 PolarHBondContact O-N 3.31Å; T136-M138 VanDerWaalsContact C-N 3.29Å; T136-M138 PolarHBondContact O-N 3.34Å |
| 137 | E | 87.1 | Confident | 87.4 | Confident | 131 Ų | 131 | 72.6 Ų | 72.6 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -75.2 | -19 | -178.6 | -64.5 | 169.5 | -175.2 | 0 | 0 | 112.8 | Q134 L135 | Q134-E137 HydrophobicContact CB-CG 4.14Å; Q134-E137 PolarHBondContact O-N 3.13Å; Q134-E137 VanDerWaalsContact O-N 3.15Å; L135-E137 VanDerWaalsContact C-N 3.34Å |
| 138 | M | 84.7 | Confident | 86.9 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 20% | 0.197 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -102.3 | 7.5 | -179.9 | -62 | -158.6 | 70.2 | 0 | 0 | 113.5 | H109 K133 L135 T136 G141 I142 | H109-M138 HydrophobicContact CB-SD 4.18Å; K133-M138 HydrophobicContact CB-CG 4.43Å; K133-M138 HydrophobicContact CB-SD 4.35Å; K133-M138 HydrophobicContact CD-CG 4.36Å; K133-M138 HydrophobicContact CD-SD 4.09Å; L135-M138 PolarHBondContact O-N 3.01Å; T136-M138 VanDerWaalsContact C-N 3.29Å; T136-M138 PolarHBondContact O-N 3.34Å; M138-G141 PolarHBondContact O-N 3.1Å; M138-I142 HydrophobicContact CB-CB 4.15Å; M138-I142 HydrophobicContact CB-CG2 4.23Å; M138-I142 WeakPolarHBondContact O-CB 3.49Å; M138-I142 WeakPolarHBondContact O-CG2 3.49Å; M138-I142 PolarHBondContact O-N 2.71Å |
| 139 | L | 83.2 | Confident | 86.3 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 142.6 | 171.1 | -64.8 | 174.6 | 0 | 0 | 0 | 110 | I142 L143 | L139-I142 HydrophobicContact CD2-CG2 3.89Å; L139-L143 HydrophobicContact CD2-CD1 4.39Å; L139-L143 HydrophobicContact CD2-CD2 3.95Å; L139-L143 HydrophobicContact CD2-CG 3.89Å |
| 140 | P | 82.4 | Confident | 85.7 | Confident | 102 Ų | 102 | 72 Ų | 72 | 66% | 0.662 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95 | -8.4 | 5.3 | 34.7 | -34.1 | 0 | 0 | 0 | 115.1 | I142 L143 | P140-I142 VanDerWaalsContact C-N 3.28Å; P140-I142 PolarHBondContact O-N 3.47Å; P140-L143 HydrophobicContact CB-CD1 4.35Å; P140-L143 WeakPolarHBondContact O-CB 3.41Å; P140-L143 PolarHBondContact O-N 3.14Å |
| 141 | G | 83.8 | Confident | 84.9 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 49% | 0.485 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -61.4 | -33.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | M138 L143 | M138-G141 PolarHBondContact O-N 3.1Å; G141-L143 VanDerWaalsContact C-N 3.25Å; G141-L143 PolarHBondContact O-N 2.77Å |
| 142 | I | 85.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -71.7 | -16 | -178.2 | -157.9 | 65.1 | 0 | 0 | 0 | 113.7 | N99 F101 L135 M138 L139 P140 N144 Q145 L146 | N99-I142 HydrophobicContact CB-CD1 4.18Å; N99-I142 WeakPolarHBondContact ND2-CD1 3.46Å; F101-I142 HydrophobicContact CE1-CD1 3.9Å; F101-I142 HydrophobicContact CE1-CG1 3.58Å; F101-I142 HydrophobicContact CZ-CD1 3.65Å; F101-I142 HydrophobicContact CZ-CG1 3.73Å; L135-I142 HydrophobicContact CD1-CB 4.49Å; L135-I142 HydrophobicContact CD1-CG1 3.98Å; L135-I142 HydrophobicContact CD1-CG2 3.72Å; M138-I142 HydrophobicContact CB-CB 4.15Å; M138-I142 HydrophobicContact CB-CG2 4.23Å; M138-I142 WeakPolarHBondContact O-CB 3.49Å; M138-I142 WeakPolarHBondContact O-CG2 3.49Å; M138-I142 PolarHBondContact O-N 2.71Å; L139-I142 HydrophobicContact CD2-CG2 3.89Å; P140-I142 VanDerWaalsContact C-N 3.28Å; P140-I142 PolarHBondContact O-N 3.47Å; I142-N144 PolarHBondContact O-N 3.09Å; I142-Q145 HydrophobicContact CD1-CB 4.43Å; I142-Q145 PolarHBondContact O-N 3.29Å; I142-L146 HydrophobicContact CG1-CG 4.49Å; I142-L146 HydrophobicContact CG2-CD1 4.15Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 2.98Å; I142-L146 VanDerWaalsContact O-N 3.08Å |
| 143 | L | 82.6 | Confident | 83.6 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 40% | 0.403 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -61.7 | -31.3 | -179.5 | -72.2 | 171.5 | 0 | 0 | 0 | 112.9 | L139 P140 G141 Q145 L146 L151 | L139-L143 HydrophobicContact CD2-CD1 4.39Å; L139-L143 HydrophobicContact CD2-CD2 3.95Å; L139-L143 HydrophobicContact CD2-CG 3.89Å; P140-L143 HydrophobicContact CB-CD1 4.35Å; P140-L143 WeakPolarHBondContact O-CB 3.41Å; P140-L143 PolarHBondContact O-N 3.14Å; G141-L143 VanDerWaalsContact C-N 3.25Å; G141-L143 PolarHBondContact O-N 2.77Å; L143-Q145 PolarHBondContact O-N 3.09Å; L143-L146 HydrophobicContact CD2-CD1 4.2Å; L143-L146 PolarHBondContact O-N 3.3Å; L143-L151 HydrophobicContact CD2-CD2 3.69Å |
| 144 | N | 87.3 | Confident | 82.9 | Confident | 154 Ų | 154 | 68.3 Ų | 68.3 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -72.8 | -16.9 | 179 | -65.2 | -27.5 | 0 | 0 | 0 | 112.9 | I142 | I142-N144 PolarHBondContact O-N 3.09Š|
| 145 | Q | 87.1 | Confident | 82.5 | Confident | 89 Ų | 89 | 71 Ų | 71 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -20.9 | -179.7 | -57.7 | 178.3 | 25 | 0 | 0 | 112 | E97 N99 F101 I142 L143 | E97-Q145 PolarHBondContact OE1-NE2 3.13Å; N99-Q145 PolarHBondContact ND2-OE1 3.02Å; F101-Q145 HydrophobicContact CZ-CB 4.27Å; I142-Q145 HydrophobicContact CD1-CB 4.43Å; I142-Q145 PolarHBondContact O-N 3.29Å; L143-Q145 PolarHBondContact O-N 3.09Å |
| 146 | L | 83.6 | Confident | 82.3 | Confident | 15 Ų | 15 | 79.2 Ų | 79.2 | 8% | 0.079 | 44% | 0.437 | C | S | . | . | trans | -73.9 | 131.2 | 174.5 | -73.5 | 170.4 | 0 | 0 | 0 | 110.6 | F101 L135 I142 L143 S150 L151 L154 | F101-L146 HydrophobicContact CD1-CD2 3.45Å; F101-L146 VanDerWaalsContact CD1-CD2 3.45Å; F101-L146 HydrophobicContact CE1-CD2 3.25Å; F101-L146 HydrophobicContact CE1-CG 3.9Å; F101-L146 HydrophobicContact CE2-CD2 4.35Å; F101-L146 HydrophobicContact CG-CD2 4.11Å; F101-L146 HydrophobicContact CZ-CD2 3.74Å; F101-L146 HydrophobicContact CZ-CG 4.1Å; L135-L146 HydrophobicContact CD1-CD1 4.09Å; L135-L146 HydrophobicContact CD1-CD2 4.32Å; L135-L146 HydrophobicContact CD2-CD1 4.4Å; L135-L146 HydrophobicContact CD2-CD2 4.25Å; I142-L146 HydrophobicContact CG1-CG 4.49Å; I142-L146 HydrophobicContact CG2-CD1 4.15Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 2.98Å; I142-L146 VanDerWaalsContact O-N 3.08Å; L143-L146 HydrophobicContact CD2-CD1 4.2Å; L143-L146 PolarHBondContact O-N 3.3Å; L146-S150 VanDerWaalsContact CD2-OG 3.27Å; L146-S150 WeakPolarHBondContact CD2-OG 3.19Å; L146-L151 HydrophobicContact CB-CD2 4.3Å; L146-L151 HydrophobicContact CB-CG 4.34Å; L146-L151 HydrophobicContact CD1-CD2 3.9Å; L146-L154 HydrophobicContact CD1-CD1 3.76Å | ||
| 147 | G | 82.6 | Confident | 82 | Confident | 41 Ų | 41 | 78.7 Ų | 78.7 | 42% | 0.423 | 43% | 0.431 | S | S | . | . | trans | -79.8 | 166.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D149 S150 L151 | G147-D149 PolarHBondContact O-N 3.32Å; G147-S150 PolarHBondContact N-OG 3.22Å; G147-S150 PolarHBondContact O-N 3.25Å; G147-S150 VanDerWaalsContact O-N 3.13Å; G147-S150 PolarHBondContact O-OG 2.95Å; G147-L151 PolarHBondContact O-N 3.08Å | ||
| 148 | A | 79.4 | Confident | 81.4 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -54.2 | -36.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L151 T152 | A148-L151 PolarHBondContact O-N 3.09Å; A148-T152 PolarHBondContact O-N 2.71Å; A148-T152 VanDerWaalsContact O-N 3.1Å |
| 149 | D | 80.3 | Confident | 81.1 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 72% | 0.717 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | -179.4 | -58.5 | -28.3 | 0 | 0 | 0 | 112.4 | G147 T152 S153 | G147-D149 PolarHBondContact O-N 3.32Å; D149-T152 PolarHBondContact O-N 3.07Å; D149-T152 PolarHBondContact O-OG1 2.79Å; D149-S153 PolarHBondContact O-N 2.87Å; D149-S153 PolarHBondContact O-OG 2.77Å |
| 150 | S | 79.1 | Confident | 80.4 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 22% | 0.217 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.9 | -30 | 175.6 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | L146 G147 S153 L154 | L146-S150 VanDerWaalsContact CD2-OG 3.27Å; L146-S150 WeakPolarHBondContact CD2-OG 3.19Å; G147-S150 PolarHBondContact N-OG 3.22Å; G147-S150 PolarHBondContact O-N 3.25Å; G147-S150 VanDerWaalsContact O-N 3.13Å; G147-S150 PolarHBondContact O-OG 2.95Å; S150-S153 PolarHBondContact O-N 2.7Å; S150-L154 PolarHBondContact O-N 2.85Å |
| 151 | L | 78.1 | Confident | 79.6 | Confident | 57 Ų | 57 | 80.8 Ų | 80.8 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 174.6 | -69.6 | 173.8 | 0 | 0 | 0 | 112.4 | L143 L146 G147 A148 S153 L154 R155 | L143-L151 HydrophobicContact CD2-CD2 3.69Å; L146-L151 HydrophobicContact CB-CD2 4.3Å; L146-L151 HydrophobicContact CB-CG 4.34Å; L146-L151 HydrophobicContact CD1-CD2 3.9Å; G147-L151 PolarHBondContact O-N 3.08Å; A148-L151 PolarHBondContact O-N 3.09Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-L154 HydrophobicContact CD2-CD1 4.09Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 2.96Å; L151-R155 WeakPolarHBondContact O-CG 3.49Å; L151-R155 PolarHBondContact O-N 2.96Å |
| 152 | T | 81.5 | Confident | 78.4 | Confident | 69 Ų | 69 | 84.1 Ų | 84.1 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 173.7 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | A148 D149 R155 R156 | A148-T152 PolarHBondContact O-N 2.71Å; A148-T152 VanDerWaalsContact O-N 3.1Å; D149-T152 PolarHBondContact O-N 3.07Å; D149-T152 PolarHBondContact O-OG1 2.79Å; T152-R155 PolarHBondContact O-N 2.82Å; T152-R156 WeakPolarHBondContact O-CG 3.1Å; T152-R156 PolarHBondContact O-N 2.99Å |
| 153 | S | 77.2 | Confident | 76.9 | Confident | 50 Ų | 50 | 91.6 Ų | 91.6 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | D149 S150 L151 R156 L157 | D149-S153 PolarHBondContact O-N 2.87Å; D149-S153 PolarHBondContact O-OG 2.77Å; S150-S153 PolarHBondContact O-N 2.7Å; L151-S153 VanDerWaalsContact C-N 3.31Å; S153-R156 PolarHBondContact O-N 2.85Å; S153-L157 WeakPolarHBondContact O-CG 3.1Å; S153-L157 PolarHBondContact O-N 2.8Å |
| 154 | L | 76.6 | Confident | 75.1 | Confident | 33 Ų | 33 | 97.3 Ų | 97.3 | 17% | 0.173 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 171.1 | -97.7 | 169 | 0 | 0 | 0 | 112.9 | L135 L146 S150 L151 R156 L157 A158 | L135-L154 HydrophobicContact CB-CD2 4.21Å; L135-L154 HydrophobicContact CD2-CD1 3.28Å; L135-L154 HydrophobicContact CD2-CD2 3.48Å; L135-L154 VanDerWaalsContact CD2-CD2 3.48Å; L135-L154 HydrophobicContact CD2-CG 3.31Å; L135-L154 HydrophobicContact CG-CD1 3.82Å; L135-L154 HydrophobicContact CG-CD2 3.84Å; L135-L154 HydrophobicContact CG-CG 4.1Å; L146-L154 HydrophobicContact CD1-CD1 3.76Å; S150-L154 PolarHBondContact O-N 2.85Å; L151-L154 HydrophobicContact CD2-CD1 4.09Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 2.96Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 3.41Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 3.11Å |
| 155 | R | 81.2 | Confident | 72.9 | Confident | 169 Ų | 169 | 93.7 Ų | 93.7 | 64% | 0.638 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 177.9 | -76.6 | -179.9 | -176.9 | 173.1 | 1.6 | 111.2 | L151 T152 L157 A158 E159 | L151-R155 WeakPolarHBondContact O-CG 3.49Å; L151-R155 PolarHBondContact O-N 2.96Å; T152-R155 PolarHBondContact O-N 2.82Å; R155-L157 PolarHBondContact O-N 3.49Å; R155-A158 PolarHBondContact O-N 3.31Å; R155-E159 VanDerWaalsContact O-CB 3.31Å; R155-E159 WeakPolarHBondContact O-CB 3.45Å; R155-E159 VanDerWaalsContact O-CG 3.23Å; R155-E159 WeakPolarHBondContact O-CG 3.45Å; R155-E159 PolarHBondContact O-N 2.8Å |
| 156 | R | 82.3 | Confident | 71 | Confident | 181 Ų | 181 | 93.1 Ų | 93.1 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 175.3 | -74.8 | 178.5 | 176.4 | 172 | 0.4 | 112.7 | T152 S153 L154 E159 A160 | T152-R156 WeakPolarHBondContact O-CG 3.1Å; T152-R156 PolarHBondContact O-N 2.99Å; S153-R156 PolarHBondContact O-N 2.85Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 3.41Å; R156-E159 PolarHBondContact O-N 2.89Å; R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 3.39Å |
| 157 | L | 75.9 | Confident | 68.8 | Low | 73 Ų | 73 | 99.5 Ų | 99.5 | 38% | 0.382 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.2 | -38.8 | 176.8 | -70.8 | 170.5 | 0 | 0 | 0 | 111.9 | S153 L154 R155 E159 A160 L161 | S153-L157 WeakPolarHBondContact O-CG 3.1Å; S153-L157 PolarHBondContact O-N 2.8Å; L154-L157 PolarHBondContact O-N 3.16Å; R155-L157 PolarHBondContact O-N 3.49Å; L157-E159 VanDerWaalsContact C-N 3.35Å; L157-A160 PolarHBondContact O-N 2.78Å; L157-L161 PolarHBondContact O-N 2.86Å |
| 158 | A | 75.7 | Confident | 67 | Low | 65 Ų | 65 | 101.3 Ų | 101.3 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.5 | -30.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L154 R155 | L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 3.11Å; R155-A158 PolarHBondContact O-N 3.31Å |
| 159 | E | 78.9 | Confident | 65 | Low | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.8 | -29.2 | 173.5 | -75.2 | 169.3 | -179 | 0 | 0 | 112.8 | R155 R156 L157 L161 | R155-E159 VanDerWaalsContact O-CB 3.31Å; R155-E159 WeakPolarHBondContact O-CB 3.45Å; R155-E159 VanDerWaalsContact O-CG 3.23Å; R155-E159 WeakPolarHBondContact O-CG 3.45Å; R155-E159 PolarHBondContact O-N 2.8Å; R156-E159 PolarHBondContact O-N 2.89Å; L157-E159 VanDerWaalsContact C-N 3.35Å; E159-L161 CarbonylContact C-O 3.49Å |
| 160 | A | 68.1 | Low | 62.9 | Low | 79 Ų | 79 | 105 Ų | 105 | 65% | 0.653 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.2 | -24.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | R156 L157 | R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 3.39Å; L157-A160 PolarHBondContact O-N 2.78Å |
| 161 | L | 64.7 | Low | 60.9 | Low | 125 Ų | 125 | 109.2 Ų | 109.2 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -62.2 | 124.3 | 159.3 | -123.9 | 74.3 | 0 | 0 | 0 | 106.4 | L157 E159 K163 | L157-L161 PolarHBondContact O-N 2.86Å; E159-L161 CarbonylContact C-O 3.49Å; L161-K163 PolarHBondContact O-N 3Å |
| 162 | P | 58.3 | Low | 59.2 | Low | 118 Ų | 118 | 114.5 Ų | 114.5 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | trans | -54.2 | 114.3 | 173.9 | 18.2 | -25.4 | 0 | 0 | 0 | 106.2 | Q164 | P162-Q164 PolarHBondContact O-N 3.42Š| ||
| 163 | K | 55 | Low | 57.2 | Low | 160 Ų | 160 | 116 Ų | 116 | 70% | 0.696 | 67% | 0.674 | S | S | * | * | trans | -50.8 | 105.8 | 159.1 | -69.1 | 178.4 | 178.4 | 175.6 | 0 | 103.2 | L161 A165 | L161-K163 PolarHBondContact O-N 3Å; K163-A165 PolarHBondContact O-N 2.98Å | ||
| 164 | Q | 43.6 | Very low | 55.3 | Low | 197 Ų | 197 | 117.8 Ų | 117.8 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -56.3 | 91.9 | 144.7 | -107.6 | 179.2 | -40.8 | 0 | 0 | 103 | P162 G166 | P162-Q164 PolarHBondContact O-N 3.42Å; Q164-G166 PolarHBondContact O-N 3.24Å | ||
| 165 | A | 41.4 | Very low | 53.4 | Low | 78 Ų | 78 | 121.9 Ų | 121.9 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | trans | -67.5 | 80.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | K163 D167 | K163-A165 PolarHBondContact O-N 2.98Å; A165-D167 PolarHBondContact O-N 3.46Å | ||
| 166 | G | 46.8 | Very low | 51.2 | Low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -69.5 | 67.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q164 G168 | Q164-G166 PolarHBondContact O-N 3.24Å; G166-G168 PolarHBondContact O-N 3.25Å | ||
| 167 | D | 37.9 | Very low | 49.4 | Very low | 150 Ų | 150 | 121.6 Ų | 121.6 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | -88.8 | 67.1 | 160.7 | -108.5 | -78 | 0 | 0 | 0 | 107.3 | A165 K169 | A165-D167 PolarHBondContact O-N 3.46Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3Å | ||
| 168 | G | 45.6 | Very low | 47.7 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -76.8 | 84.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G166 | G166-G168 PolarHBondContact O-N 3.25Š| ||
| 169 | K | 37.4 | Very low | 46.7 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -161.8 | 86.1 | 151.3 | -148.2 | 164.2 | 177.4 | 175 | 0 | 113.3 | D167 | D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3Å | ||
| 170 | A | 35 | Very low | 45.7 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -118 | 160.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 171 | P | 38.4 | Very low | 45.4 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -72 | 152.6 | -140.5 | 31.3 | -35.5 | 0 | 0 | 0 | 114.3 | A173 | P171-A173 PolarHBondContact O-N 2.99Š| ||
| 172 | I | 42.4 | Very low | 45.3 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -46.1 | 129.3 | 169 | 40.3 | 169.6 | 0 | 0 | 0 | 113.5 | ||||
| 173 | A | 38 | Very low | 45.7 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 72.9 | 96.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | P171 | P171-A173 PolarHBondContact O-N 2.99Š| ||
| 174 | A | 37.9 | Very low | 46.4 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | -169.7 | 113.6 | 117.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 175 | V | 36.3 | Very low | 47.2 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 73.7 | 119 | 139 | -172.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 176 | E | 35.2 | Very low | 48.1 | Very low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 88.8 | 125 | 146.7 | -79.3 | 164 | -161.8 | 0 | 0 | 122 | ||||
| 177 | E | 43.9 | Very low | 48.6 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 74.9 | 146.2 | 146.4 | -64.4 | -169 | 160.9 | 0 | 0 | 121.5 | ||||
| 178 | E | 41.6 | Very low | 49.6 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | 87.4 | 82 | 168.4 | -62.7 | -177.1 | 171.9 | 0 | 0 | 118.3 | D180 | E178-D180 HydrophobicContact CB-CB 4Å; E178-D180 PolarHBondContact O-N 2.85Å | ||
| 179 | D | 54 | Low | 50.2 | Low | 171 Ų | 171 | 141.9 Ų | 141.9 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -73.2 | 52 | 161 | -152.4 | 3 | 0 | 0 | 0 | 110.6 | ||||
| 180 | D | 58.1 | Low | 51.3 | Low | 125 Ų | 125 | 137.9 Ų | 137.9 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -124.5 | 45.6 | -157.1 | -133.7 | -2.7 | 0 | 0 | 0 | 114.2 | E178 | E178-D180 HydrophobicContact CB-CB 4Å; E178-D180 PolarHBondContact O-N 2.85Å | ||
| 181 | D | 61.9 | Low | 52.4 | Low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -149.9 | 31.9 | 171.6 | -104.7 | -38.9 | 0 | 0 | 0 | 114.1 | ||||
| 182 | V | 62.6 | Low | 53.3 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -104.9 | 105.4 | 160.8 | -176.7 | 0 | 0 | 0 | 0 | 108 | D184 | V182-D184 PolarHBondContact O-N 3.33Š| ||
| 183 | P | 66.9 | Low | 54 | Low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | trans | -63.1 | 126.5 | 171.2 | 24 | -30.5 | 0 | 0 | 0 | 109.3 | L185 | P183-L185 PolarHBondContact O-N 2.8Š| ||
| 184 | D | 68.6 | Low | 55.2 | Low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -55.3 | 135.7 | -179.4 | -160.3 | 12.9 | 0 | 0 | 0 | 110.3 | V182 V186 | V182-D184 PolarHBondContact O-N 3.33Å; D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 3.23Å | ||
| 185 | L | 60.8 | Low | 56.3 | Low | 163 Ų | 163 | 139.7 Ų | 139.7 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -68.3 | 91.7 | -179.9 | -73.6 | 167.6 | 0 | 0 | 0 | 108 | P183 E187 | P183-L185 PolarHBondContact O-N 2.8Å; L185-E187 PolarHBondContact O-N 3.04Å | ||
| 186 | V | 60.2 | Low | 57.5 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | trans | -58 | 106.3 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | D184 | D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 3.23Å | ||
| 187 | E | 56.9 | Low | 58.5 | Low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 62.3 | 103.5 | 154.9 | -62.1 | -179.7 | 162.3 | 0 | 0 | 116.3 | L185 F189 | L185-E187 PolarHBondContact O-N 3.04Å; E187-F189 WeakPolarHBondContact O-CD2 3.46Å; E187-F189 PolarHBondContact O-N 2.82Å | ||
| 188 | N | 58.9 | Low | 58.6 | Low | 124 Ų | 124 | 142.1 Ų | 142.1 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | trans | -46 | 97.8 | 160.4 | -173.4 | 15 | 0 | 0 | 0 | 110.4 | D190 E191 | N188-D190 PolarHBondContact O-N 3Å; N188-D190 WeakPolarHBondContact OD1-CB 3.26Å; N188-E191 PolarHBondContact O-N 3.08Å | ||
| 189 | F | 58.9 | Low | 59.5 | Low | 189 Ų | 189 | 141.1 Ų | 141.1 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 1 | 177.8 | -76.3 | -93 | 0 | 0 | 0 | 114.8 | E187 | E187-F189 WeakPolarHBondContact O-CD2 3.46Å; E187-F189 PolarHBondContact O-N 2.82Å |
| 190 | D | 60.7 | Low | 59.8 | Low | 110 Ų | 110 | 139.5 Ų | 139.5 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -4 | -178.7 | -137.3 | 17.7 | 0 | 0 | 0 | 113.6 | N188 S193 | N188-D190 PolarHBondContact O-N 3Å; N188-D190 WeakPolarHBondContact OD1-CB 3.26Å; D190-S193 PolarHBondContact O-OG 3.17Å |
| 191 | E | 58.5 | Low | 59.9 | Low | 140 Ų | 140 | 140.3 Ų | 140.3 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -87.1 | -33.2 | 172.9 | -155.8 | 95.4 | -144.8 | 0 | 0 | 112 | N188 S193 K194 | N188-E191 PolarHBondContact O-N 3.08Å; E191-S193 PolarHBondContact O-N 3.27Å; E191-S193 VanDerWaalsContact O-N 3.14Å; E191-K194 PolarHBondContact O-N 3.21Å |
| 192 | A | 57.7 | Low | 59.7 | Low | 82 Ų | 82 | 139.1 Ų | 139.1 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -7.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 193 | S | 57.3 | Low | 59.6 | Low | 79 Ų | 79 | 139.7 Ų | 139.7 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -0.4 | -177.3 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | D190 E191 | D190-S193 PolarHBondContact O-OG 3.17Å; E191-S193 PolarHBondContact O-N 3.27Å; E191-S193 VanDerWaalsContact O-N 3.14Å |
| 194 | K | 62.3 | Low | 59.1 | Low | 155 Ų | 155 | 141.4 Ų | 141.4 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -98.3 | -16.2 | 179.1 | -78.5 | 173 | -175.8 | 155.6 | 0 | 115.3 | E191 | E191-K194 PolarHBondContact O-N 3.21Š|
| 195 | D | 61.5 | Low | 58.4 | Low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 1.1 | -174 | -73.6 | -29.5 | 0 | 0 | 0 | 115.1 | ||
| 196 | E | 60.8 | Low | 58.2 | Low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 11.5 | 174.9 | -66.4 | -139 | 157.4 | 0 | 0 | 114.6 | ||
| 197 | A | 57.1 | Low | 58.1 | Low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -113.3 | 59.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 198 | N | 46 | Very low | 58.2 | Low | 229 Ų | 229 | 140.2 Ų | 140.2 | 100% | 1.225 | 76% | 0.757 | S | S | * | * | trans | -148 | 0 | 153.1 | -176.7 | 61.4 | 0 | 0 | 0 | 111.9 |
Retrieved 198 of 198 residues in 194.3 ms
(Link to these results)