| 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 | 38.6 | Very low | 44.1 | Very low | 245 Ų | 245 | 169.9 Ų | 169.9 | 100% | 1.207 | 82% | 0.822 | S | S | * | * | 0 | 128.1 | 0 | -73.2 | -178.3 | 167.5 | 0 | 0 | 106.8 | |||||
| 2 | H | 42.8 | Very low | 43.9 | Very low | 180 Ų | 180 | 168 Ų | 168 | 83% | 0.833 | 82% | 0.819 | S | S | * | * | trans | -80.5 | 119.3 | -179.7 | -80.8 | 54.9 | 0 | 0 | 0 | 108.5 | ||||
| 3 | E | 47.3 | Very low | 44.2 | Very low | 192 Ų | 192 | 169.6 Ų | 169.6 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -115 | 91.1 | 152.7 | -90 | 179.3 | 166.9 | 0 | 0 | 106.1 | Q5 | E3-Q5 PolarHBondContact O-N 2.86Š| ||
| 4 | T | 44.4 | Very low | 44 | Very low | 121 Ų | 121 | 166.2 Ų | 166.2 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -64.9 | 89.8 | 165.3 | 33.6 | 0 | 0 | 0 | 0 | 107.4 | E6 | T4-E6 PolarHBondContact O-N 2.62Å; T4-E6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | Q | 43.9 | Very low | 44.3 | Very low | 175 Ų | 175 | 166.9 Ų | 166.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -67.9 | 101.3 | 169.6 | -167.1 | 165.6 | 11.8 | 0 | 0 | 107 | E3 V7 | E3-Q5 PolarHBondContact O-N 2.86Å; Q5-V7 VanDerWaalsContact C-N 3.31Å; Q5-V7 PolarHBondContact O-N 2.81Å | ||
| 6 | E | 41.7 | Very low | 43.9 | Very low | 172 Ų | 172 | 166.8 Ų | 166.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -60.7 | 96.4 | 170.2 | -74.6 | -175.9 | 153.3 | 0 | 0 | 108.1 | T4 I8 | T4-E6 PolarHBondContact O-N 2.62Å; T4-E6 VanDerWaalsContact O-N 3.07Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 3.1Å | ||
| 7 | V | 45.7 | Very low | 44 | Very low | 111 Ų | 111 | 168 Ų | 168 | 67% | 0.673 | 81% | 0.808 | S | S | * | * | trans | -71.9 | 97 | 167.2 | -177.3 | 0 | 0 | 0 | 0 | 105.7 | Q5 E9 | Q5-V7 VanDerWaalsContact C-N 3.31Å; Q5-V7 PolarHBondContact O-N 2.81Å; V7-E9 HydrophobicContact CG1-CG 3.93Å; V7-E9 PolarHBondContact O-N 3.16Å | ||
| 8 | I | 43.7 | Very low | 43.8 | Very low | 136 Ų | 136 | 165.9 Ų | 165.9 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | trans | -70.7 | 87.9 | 171.2 | -59.3 | 173.1 | 0 | 0 | 0 | 106.8 | E6 L10 | E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 3.1Å; I8-L10 VanDerWaalsContact C-N 3.29Å; I8-L10 HydrophobicContact CG2-CB 4.38Å; I8-L10 HydrophobicContact CG2-CD1 4.03Å; I8-L10 PolarHBondContact O-N 3.45Å | ||
| 9 | E | 42.7 | Very low | 43.6 | Very low | 177 Ų | 177 | 163.1 Ų | 163.1 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 83.4 | 169.4 | -70 | -174.1 | 168 | 0 | 0 | 109.5 | V7 | V7-E9 HydrophobicContact CG1-CG 3.93Å; V7-E9 PolarHBondContact O-N 3.16Å | ||
| 10 | L | 48.2 | Very low | 43.6 | Very low | 126 Ų | 126 | 161.2 Ų | 161.2 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -134.1 | 59.8 | 166.3 | -91.7 | 146.4 | 0 | 0 | 0 | 108.7 | I8 Y13 | I8-L10 VanDerWaalsContact C-N 3.29Å; I8-L10 HydrophobicContact CG2-CB 4.38Å; I8-L10 HydrophobicContact CG2-CD1 4.03Å; I8-L10 PolarHBondContact O-N 3.45Å; L10-Y13 HydrophobicContact CD2-CD2 4.33Å; L10-Y13 HydrophobicContact CD2-CE2 4.26Å | ||
| 11 | R | 46.4 | Very low | 43.6 | Very low | 234 Ų | 234 | 158.8 Ų | 158.8 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -117.4 | 112.9 | 158.1 | -67.8 | -171.3 | -176.1 | -158.3 | 1.5 | 105.7 | ||||
| 12 | D | 41.9 | Very low | 43.9 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | 149.4 | 25.7 | 158.9 | -71.4 | -7.6 | 0 | 0 | 0 | 113.2 | V14 | D12-V14 PolarHBondContact O-N 3.34Š| ||
| 13 | Y | 47.1 | Very low | 43.9 | Very low | 189 Ų | 189 | 154 Ų | 154 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -75.8 | 82.2 | 153.6 | -85.8 | -82.4 | 0 | 0 | 0 | 109.2 | L10 F15 | L10-Y13 HydrophobicContact CD2-CD2 4.33Å; L10-Y13 HydrophobicContact CD2-CE2 4.26Å; Y13-F15 HydrophobicContact CD1-CD2 4.38Å; Y13-F15 AromaticContact CD1-CE2 3.7Å; Y13-F15 HydrophobicContact CD1-CE2 3.7Å; Y13-F15 HydrophobicContact CD1-CZ 4.3Å; Y13-F15 HydrophobicContact CG-CE2 4.18Å; Y13-F15 PolarHBondContact O-N 3.15Å | ||
| 14 | V | 41.2 | Very low | 44 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 87.5 | 160.5 | -177.9 | 0 | 0 | 0 | 0 | 106.7 | D12 E16 | D12-V14 PolarHBondContact O-N 3.34Å; V14-E16 PolarHBondContact O-N 3.44Å | ||
| 15 | F | 48.4 | Very low | 44 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 77% | 0.772 | 75% | 0.753 | S | S | * | * | trans | -77 | 103.4 | 160.3 | -85 | -85.6 | 0 | 0 | 0 | 106.6 | Y13 E17 | Y13-F15 HydrophobicContact CD1-CD2 4.38Å; Y13-F15 AromaticContact CD1-CE2 3.7Å; Y13-F15 HydrophobicContact CD1-CE2 3.7Å; Y13-F15 HydrophobicContact CD1-CZ 4.3Å; Y13-F15 HydrophobicContact CG-CE2 4.18Å; Y13-F15 PolarHBondContact O-N 3.15Å; F15-E17 PolarHBondContact O-N 3.34Å | ||
| 16 | E | 38.7 | Very low | 44 | Very low | 165 Ų | 165 | 151 Ų | 151 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -48.7 | 108.6 | 165.4 | -76 | -179.7 | 146.2 | 0 | 0 | 108.3 | V14 N18 | V14-E16 PolarHBondContact O-N 3.44Å; E16-N18 PolarHBondContact O-N 2.93Å | ||
| 17 | E | 45.2 | Very low | 44.2 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | -67.6 | 86.9 | 170.1 | -167.3 | 178.1 | -157 | 0 | 0 | 106.4 | F15 S19 | F15-E17 PolarHBondContact O-N 3.34Å; E17-S19 VanDerWaalsContact C-N 3.29Å; E17-S19 PolarHBondContact O-N 2.85Å | ||
| 18 | N | 41.2 | Very low | 44 | Very low | 131 Ų | 131 | 151.6 Ų | 151.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -57.8 | 102.9 | 169.6 | -89.6 | -13.1 | 0 | 0 | 0 | 107 | E16 I20 | E16-N18 PolarHBondContact O-N 2.93Å; N18-I20 VanDerWaalsContact C-N 3.28Å; N18-I20 PolarHBondContact O-N 2.93Å | ||
| 19 | S | 39.7 | Very low | 44.1 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | -47.3 | 90 | 167.6 | 175.1 | 0 | 0 | 0 | 0 | 109.7 | E17 | E17-S19 VanDerWaalsContact C-N 3.29Å; E17-S19 PolarHBondContact O-N 2.85Å | ||
| 20 | I | 43 | Very low | 44.4 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -103.3 | 92.5 | 158.8 | -51.2 | 177 | 0 | 0 | 0 | 104.1 | N18 E22 | N18-I20 VanDerWaalsContact C-N 3.28Å; N18-I20 PolarHBondContact O-N 2.93Å; I20-E22 HydrophobicContact CG2-CB 3.82Å; I20-E22 HydrophobicContact CG2-CG 3.55Å; I20-E22 PolarHBondContact O-N 2.86Å | ||
| 21 | S | 44.2 | Very low | 44.3 | Very low | 111 Ų | 111 | 154.8 Ų | 154.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -62.8 | 58.8 | 160.2 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | K23 | S21-K23 PolarHBondContact O-N 2.79Š| ||
| 22 | E | 44.9 | Very low | 44.4 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | trans | -82 | 101.3 | 166.9 | -98.7 | -179.5 | 178.8 | 0 | 0 | 105.7 | I20 A24 | I20-E22 HydrophobicContact CG2-CB 3.82Å; I20-E22 HydrophobicContact CG2-CG 3.55Å; I20-E22 PolarHBondContact O-N 2.86Å; E22-A24 PolarHBondContact O-N 2.89Å; E22-A24 VanDerWaalsContact O-N 3.14Å | ||
| 23 | K | 42.4 | Very low | 44.5 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | trans | -18.3 | 118.5 | 157.2 | -74.1 | 172.6 | 172.9 | 177.3 | 0 | 109.1 | S21 W25 | S21-K23 PolarHBondContact O-N 2.79Å; K23-W25 VanDerWaalsContact C-N 3.33Å; K23-W25 VanDerWaalsContact O-CD1 3.22Å; K23-W25 PolarHBondContact O-N 3.24Å | ||
| 24 | A | 48.5 | Very low | 44.7 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -41.8 | 107.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | E22 D26 | E22-A24 PolarHBondContact O-N 2.89Å; E22-A24 VanDerWaalsContact O-N 3.14Å; A24-D26 PolarHBondContact O-N 2.89Å | ||
| 25 | W | 46.1 | Very low | 45 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | -61.7 | 112.9 | 179.3 | -78.9 | 52.4 | 0 | 0 | 0 | 103.5 | K23 R27 | K23-W25 VanDerWaalsContact C-N 3.33Å; K23-W25 VanDerWaalsContact O-CD1 3.22Å; K23-W25 PolarHBondContact O-N 3.24Å; W25-R27 HydrophobicContact CB-CG 4.23Å; W25-R27 PolarHBondContact O-N 3Å | ||
| 26 | D | 43.1 | Very low | 45 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | -60.9 | 70.1 | 167.8 | -84.7 | -38.5 | 0 | 0 | 0 | 108 | A24 S28 | A24-D26 PolarHBondContact O-N 2.89Å; D26-S28 PolarHBondContact O-N 2.94Å | ||
| 27 | R | 45.3 | Very low | 45.5 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -80 | 76.6 | 163.9 | -70.1 | -164.5 | -175.9 | -171.1 | 3.2 | 105.4 | W25 | W25-R27 HydrophobicContact CB-CG 4.23Å; W25-R27 PolarHBondContact O-N 3Å | ||
| 28 | S | 41.7 | Very low | 45.8 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | -43.2 | 131.7 | 150.7 | -69.5 | 0 | 0 | 0 | 0 | 107.2 | D26 Q30 | D26-S28 PolarHBondContact O-N 2.94Å; S28-Q30 PolarHBondContact O-N 2.97Å | ||
| 29 | P | 46.5 | Very low | 46.4 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -57.7 | 111.4 | -171.4 | 21.4 | -30.8 | 0 | 0 | 0 | 107.6 | F31 | P29-F31 PolarHBondContact O-N 3.41Š| ||
| 30 | Q | 49.3 | Very low | 46.7 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -55.8 | 116.7 | 162.3 | -83.7 | -179.4 | -19.7 | 0 | 0 | 104.2 | S28 V32 | S28-Q30 PolarHBondContact O-N 2.97Å; Q30-V32 WeakPolarHBondContact O-CG2 3.29Å; Q30-V32 PolarHBondContact O-N 2.89Å | ||
| 31 | F | 45.8 | Very low | 47 | Very low | 211 Ų | 211 | 143.6 Ų | 143.6 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -45.1 | 96.5 | 163.5 | -100.2 | -103.2 | 0 | 0 | 0 | 106 | P29 D33 | P29-F31 PolarHBondContact O-N 3.41Å; F31-D33 PolarHBondContact O-N 2.97Å | ||
| 32 | V | 49 | Very low | 47.4 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 57% | 0.57 | 75% | 0.747 | S | S | * | * | trans | -74.6 | 98.4 | 171.7 | -166.4 | 0 | 0 | 0 | 0 | 102.1 | Q30 D34 Y36 | Q30-V32 WeakPolarHBondContact O-CG2 3.29Å; Q30-V32 PolarHBondContact O-N 2.89Å; V32-D34 PolarHBondContact O-N 2.98Å; V32-Y36 HydrophobicContact CB-CE2 4.36Å; V32-Y36 HydrophobicContact CG1-CE2 3.55Å | ||
| 33 | D | 43.7 | Very low | 47.3 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | -35.7 | 132.6 | 170.8 | -146.1 | -21.1 | 0 | 0 | 0 | 108.3 | F31 T35 | F31-D33 PolarHBondContact O-N 2.97Å; D33-T35 PolarHBondContact O-N 3.24Å | ||
| 34 | D | 50.3 | Low | 47.7 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -66.7 | 32.9 | -177.6 | -83.9 | -36.2 | 0 | 0 | 0 | 112.2 | V32 Y36 | V32-D34 PolarHBondContact O-N 2.98Å; D34-Y36 PolarHBondContact O-N 2.72Å |
| 35 | T | 48.5 | Very low | 47.6 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | trans | -83.4 | 16 | 173.2 | -25.2 | 0 | 0 | 0 | 0 | 112.2 | D33 S37 | D33-T35 PolarHBondContact O-N 3.24Å; T35-S37 PolarHBondContact O-N 2.83Å | ||
| 36 | Y | 47.4 | Very low | 47.8 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -65.8 | 93.6 | 158.6 | -72.6 | -76.1 | 0 | 0 | 0 | 107.1 | V32 D34 K38 | V32-Y36 HydrophobicContact CB-CE2 4.36Å; V32-Y36 HydrophobicContact CG1-CE2 3.55Å; D34-Y36 PolarHBondContact O-N 2.72Å; Y36-K38 PolarHBondContact O-N 2.73Å |
| 37 | S | 49.3 | Very low | 47.9 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -41 | 112 | 172.4 | -68.3 | 0 | 0 | 0 | 0 | 107.5 | T35 V39 | T35-S37 PolarHBondContact O-N 2.83Å; S37-V39 PolarHBondContact O-N 2.94Å | ||
| 38 | K | 51.9 | Low | 47.8 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -47.5 | 109.7 | -178.9 | -75.7 | 178.5 | 177.3 | 177 | 0 | 107.3 | Y36 A40 | Y36-K38 PolarHBondContact O-N 2.73Å; K38-A40 VanDerWaalsContact C-N 3.27Å; K38-A40 PolarHBondContact O-N 2.87Å | ||
| 39 | V | 53.9 | Low | 47.8 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -63.1 | 98.7 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 105.1 | S37 F41 | S37-V39 PolarHBondContact O-N 2.94Å; V39-F41 HydrophobicContact CG1-CE2 4.47Å; V39-F41 HydrophobicContact CG1-CZ 4.47Å; V39-F41 WeakPolarHBondContact O-CD2 3.46Å; V39-F41 PolarHBondContact O-N 3.07Å; V39-F41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | A | 45.7 | Very low | 47.5 | Very low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -72.7 | 106.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | K38 | K38-A40 VanDerWaalsContact C-N 3.27Å; K38-A40 PolarHBondContact O-N 2.87Å | ||
| 41 | F | 50.1 | Low | 47.2 | Very low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.9 | 169.6 | -70.2 | -86 | 0 | 0 | 0 | 108.2 | V39 E43 | V39-F41 HydrophobicContact CG1-CE2 4.47Å; V39-F41 HydrophobicContact CG1-CZ 4.47Å; V39-F41 WeakPolarHBondContact O-CD2 3.46Å; V39-F41 PolarHBondContact O-N 3.07Å; V39-F41 VanDerWaalsContact O-N 3.14Å; F41-E43 PolarHBondContact O-N 3.05Å |
| 42 | P | 52.5 | Low | 46.6 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.5 | 175.7 | 24.1 | -31.3 | 0 | 0 | 0 | 108.9 | E44 | P42-E44 PolarHBondContact O-N 2.99Š|
| 43 | E | 43.2 | Very low | 46 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.8 | 179 | -146 | 170.7 | -172.7 | 0 | 0 | 108.5 | F41 V45 | F41-E43 PolarHBondContact O-N 3.05Å; E43-V45 PolarHBondContact O-N 2.91Å |
| 44 | E | 49.9 | Very low | 45.4 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -63.2 | 103.8 | 179.4 | -75.8 | -176 | 161.7 | 0 | 0 | 108.5 | P42 P46 | P42-E44 PolarHBondContact O-N 2.99Å; E44-P46 VanDerWaalsContact O-CD 3.28Å; E44-P46 WeakPolarHBondContact O-CD 3.42Å | ||
| 45 | V | 47.2 | Very low | 44.4 | Very low | 120 Ų | 120 | 141 Ų | 141 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -61.4 | 119.4 | 169.4 | -174.1 | 0 | 0 | 0 | 0 | 106.5 | E43 N47 | E43-V45 PolarHBondContact O-N 2.91Å; V45-N47 PolarHBondContact O-N 2.02Å | ||
| 46 | P | 48.6 | Very low | 43.6 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -63.7 | 114 | 175.5 | 23.9 | -29.6 | 0 | 0 | 0 | 106.8 | E44 A48 | E44-P46 VanDerWaalsContact O-CD 3.28Å; E44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-A48 PolarHBondContact O-N 2.73Å | ||
| 47 | N | 46.9 | Very low | 43.4 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -60.6 | 90.3 | 170.2 | -84 | -34.1 | 0 | 0 | 0 | 107.7 | V45 D49 | V45-N47 PolarHBondContact O-N 2.02Å; N47-D49 PolarHBondContact O-N 2.95Å | ||
| 48 | A | 42.2 | Very low | 42.6 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -63.8 | 88.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | P46 | P46-A48 PolarHBondContact O-N 2.73Š| ||
| 49 | D | 42 | Very low | 41.4 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 162.8 | 125.6 | 133.6 | -77.2 | -28.9 | 0 | 0 | 0 | 111.4 | N47 | N47-D49 PolarHBondContact O-N 2.95Š|
| 50 | S | 39.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 73.2 | 95.3 | 153.7 | 74.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 51 | Y | 42.5 | Very low | 39.7 | Very low | 238 Ų | 238 | 138 Ų | 138 | 93% | 0.933 | 76% | 0.758 | S | S | * | * | -82.1 | 127.5 | 123.8 | -75.4 | -92.4 | 0 | 0 | 0 | 106.3 | |||||
| 52 | P | 35 | Very low | 39.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | -150.6 | 134.6 | 99.2 | 34.4 | -14.7 | 0 | 0 | 0 | 116.9 | |||||
| 53 | R | 34.4 | Very low | 38.5 | Very low | 225 Ų | 225 | 139.5 Ų | 139.5 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | 65.6 | 106.2 | 126.1 | -58.1 | -178.6 | -170.4 | -170.5 | 3.1 | 120.5 | |||||
| 54 | V | 31.1 | Very low | 38.5 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | 37.2 | 106.5 | 125.4 | -169 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 55 | C | 30.2 | Very low | 38 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 52% | 0.52 | 75% | 0.748 | S | S | . | * | trans | -114.8 | 123.7 | 162.7 | -85.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 56 | L | 31.9 | Very low | 37.9 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | -82.5 | 165.7 | -173.8 | -85.4 | 160.9 | 0 | 0 | 0 | 112.6 | N58 | L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 3.09Å | ||
| 57 | P | 42.6 | Very low | 37.9 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -70.4 | -0 | -159.9 | 24.3 | -34.2 | 0 | 0 | 0 | 117.6 | ||
| 58 | N | 32 | Very low | 38.2 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -114.7 | 93.8 | 176.1 | -74.3 | -6.9 | 0 | 0 | 0 | 110.6 | L56 | L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 3.09Å |
| 59 | G | 28.2 | Very low | 38.8 | Very low | 57 Ų | 57 | 128.7 Ų | 128.7 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 104 | 99.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T61 | G59-T61 PolarHBondContact O-N 2.92Š|
| 60 | L | 31.5 | Very low | 39.3 | Very low | 168 Ų | 168 | 123.3 Ų | 123.3 | 88% | 0.88 | 68% | 0.677 | S | S | * | * | trans | 2.7 | 112.7 | 152.7 | -75 | 92.2 | 0 | 0 | 0 | 115.9 | ||||
| 61 | T | 32.4 | Very low | 40.3 | Very low | 86 Ų | 86 | 121.9 Ų | 121.9 | 53% | 0.528 | 66% | 0.658 | S | S | . | * | -179 | 100.3 | 104.7 | 44.6 | 0 | 0 | 0 | 0 | 108.4 | G59 K63 | G59-T61 PolarHBondContact O-N 2.92Å; T61-K63 VanDerWaalsContact C-N 3.29Å | |||
| 62 | I | 39.6 | Very low | 41.3 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 67% | 0.672 | 63% | 0.634 | S | S | * | * | trans | -94.2 | 82.9 | 144.6 | -60.8 | 178 | 0 | 0 | 0 | 104.1 | D64 | I62-D64 HydrophobicContact CG2-CB 3.66Å; I62-D64 WeakPolarHBondContact CG2-OD2 3.33Å; I62-D64 PolarHBondContact O-N 2.99Å | ||
| 63 | K | 38.2 | Very low | 42.6 | Very low | 189 Ų | 189 | 114.4 Ų | 114.4 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | trans | -71.4 | 68.6 | 154.4 | -84.5 | -172.7 | 173.4 | -178.4 | 0 | 106.4 | T61 | T61-K63 VanDerWaalsContact C-N 3.29Š| ||
| 64 | D | 42.4 | Very low | 44.3 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 65% | 0.652 | 61% | 0.614 | S | S | * | * | trans | -112.6 | 123.3 | 156.4 | -71 | -41.1 | 0 | 0 | 0 | 104 | I62 A66 | I62-D64 HydrophobicContact CG2-CB 3.66Å; I62-D64 WeakPolarHBondContact CG2-OD2 3.33Å; I62-D64 PolarHBondContact O-N 2.99Å; D64-A66 PolarHBondContact O-N 2.81Å | ||
| 65 | N | 39.2 | Very low | 46 | Very low | 166 Ų | 166 | 108.2 Ų | 108.2 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | trans | -55 | 73.9 | 153.1 | -70.9 | -32.9 | 0 | 0 | 0 | 106.6 | Q67 | N65-Q67 PolarHBondContact O-N 2.79Š| ||
| 66 | A | 45.5 | Very low | 47.7 | Very low | 86 Ų | 86 | 110.8 Ų | 110.8 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | trans | -61.3 | 84.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 102.8 | D64 | D64-A66 PolarHBondContact O-N 2.81Š| ||
| 67 | Q | 48.6 | Very low | 49.1 | Very low | 136 Ų | 136 | 106.8 Ų | 106.8 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | trans | -52.7 | 118.7 | -178.6 | -165.9 | 169.6 | 11.3 | 0 | 0 | 103 | N65 C69 | N65-Q67 PolarHBondContact O-N 2.79Å; Q67-C69 PolarHBondContact O-N 2.75Å | ||
| 68 | P | 53.5 | Low | 50.4 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | trans | -50.9 | 123.3 | -166.2 | 16.1 | -29.9 | 0 | 0 | 0 | 107.3 | T70 | P68-T70 CarbonylContact O-C 3.57Å; P68-T70 PolarHBondContact O-N 2.99Å | ||
| 69 | C | 53.9 | Low | 52.4 | Low | 42 Ų | 42 | 108.5 Ų | 108.5 | 28% | 0.284 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -53.5 | -18.2 | 176.5 | -82.9 | 0 | 0 | 0 | 0 | 111.6 | Q67 E90 K91 C95 | Q67-C69 PolarHBondContact O-N 2.75Å; C69-E90 CarbonylContact O-C 3.58Å; C69-E90 WeakPolarHBondContact O-CA 3.35Å; C69-K91 PolarHBondContact O-N 3.23Å; C69-C95 HydrophobicContact CB-CB 4.43Å; C69-C95 WeakPolarHBondContact CB-SG 3.47Å; C69-C95 WeakPolarHBondContact SG-CA 3.27Å; C69-C95 WeakPolarHBondContact SG-CB 3.34Å; C69-C95 CovalentContact SG-SG 2.02Å; C69-C95 PolarHBondContact SG-SG 2.63Å |
| 70 | T | 53.1 | Low | 54.5 | Low | 33 Ų | 33 | 110.2 Ų | 110.2 | 20% | 0.202 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.7 | 172.6 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | P68 R88 R89 E90 | P68-T70 CarbonylContact O-C 3.57Å; P68-T70 PolarHBondContact O-N 2.99Å; T70-R88 HydrophobicContact CG2-CB 4.33Å; T70-R88 PolarHBondContact OG1-NE 3.22Å; T70-R88 PolarHBondContact OG1-NH2 3.11Å; T70-R89 CarbonylContact C-O 3.55Å; T70-R89 VanDerWaalsContact CA-O 3.27Å; T70-R89 WeakPolarHBondContact CA-O 3.28Å; T70-E90 HydrophobicContact CG2-CG 4.08Å |
| 71 | E | 60.6 | Low | 56.1 | Low | 77 Ų | 77 | 104.4 Ų | 104.4 | 36% | 0.36 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.7 | 159.8 | -172.3 | 158.4 | -113.7 | 0 | 0 | 107.9 | R89 K91 K94 | E71-R89 PolarHBondContact N-O 3.42Å; E71-R89 PolarHBondContact O-N 3.05Å; E71-K91 IonicContact OE1-NZ 3.37Å; E71-K91 WeakPolarHBondContact OE2-CD 3.04Å; E71-K91 WeakPolarHBondContact OE2-CE 3.49Å; E71-K91 IonicContact OE2-NZ 3.39Å; E71-K91 PolarHBondContact OE2-NZ 2.81Å; E71-K94 IonicContact OE1-NZ 2.7Å; E71-K94 PolarHBondContact OE1-NZ 3.09Å |
| 72 | T | 63.3 | Low | 57.8 | Low | 68 Ų | 68 | 106.8 Ų | 106.8 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.2 | 166.9 | 36.8 | 0 | 0 | 0 | 0 | 109 | E86 V87 R88 | T72-E86 WeakPolarHBondContact CB-OE1 3.27Å; T72-E86 HydrophobicContact CG2-CG 3.75Å; T72-E86 VanDerWaalsContact CG2-OE1 3.28Å; T72-E86 WeakPolarHBondContact CG2-OE1 3.43Å; T72-E86 PolarHBondContact OG1-OE1 3.41Å; T72-V87 CarbonylContact C-O 3.59Å; T72-V87 WeakPolarHBondContact CA-O 3.35Å; T72-R88 HydrophobicContact CG2-CG 3.48Å; T72-R88 VanDerWaalsContact CG2-CG 3.48Å |
| 73 | Y | 63.5 | Low | 59.1 | Low | 111 Ų | 111 | 104 Ų | 104 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.1 | 168.5 | 68.4 | -76.9 | 0 | 0 | 0 | 108.8 | V75 V87 R89 | Y73-V75 HydrophobicContact CD2-CG2 4.15Å; Y73-V75 HydrophobicContact CE2-CG2 3.61Å; Y73-V87 HydrophobicContact CD1-CB 4.36Å; Y73-V87 VanDerWaalsContact CD1-O 3.27Å; Y73-V87 WeakPolarHBondContact CD1-O 3.35Å; Y73-V87 HydrophobicContact CE1-CB 3.75Å; Y73-V87 HydrophobicContact CE1-CG1 3.74Å; Y73-V87 HydrophobicContact CE2-CB 4.33Å; Y73-V87 PolarHBondContact N-O 3.23Å; Y73-V87 PolarHBondContact O-N 3.02Å; Y73-R89 HydrophobicContact CD1-CB 3.98Å; Y73-R89 HydrophobicContact CE1-CB 3.55Å |
| 74 | R | 68.5 | Low | 60.6 | Low | 169 Ų | 169 | 98.4 Ų | 98.4 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.3 | 176.4 | -68.2 | 179.4 | 176.1 | -176.7 | -1.9 | 108.1 | P83 Q85 | R74-P83 HydrophobicContact CB-CB 3.94Å; R74-P83 HydrophobicContact CG-CB 4.25Å; R74-Q85 WeakPolarHBondContact CA-O 3.34Å |
| 75 | V | 68.4 | Low | 62.1 | Low | 53 Ų | 53 | 98.6 Ų | 98.6 | 32% | 0.321 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.2 | 166.4 | -179.8 | 0 | 0 | 0 | 0 | 106 | Y73 S84 Q85 V87 | Y73-V75 HydrophobicContact CD2-CG2 4.15Å; Y73-V75 HydrophobicContact CE2-CG2 3.61Å; V75-S84 PolarHBondContact O-N 3.37Å; V75-S84 PolarHBondContact O-OG 3.46Å; V75-Q85 PolarHBondContact N-O 3.49Å; V75-Q85 PolarHBondContact O-N 2.99Å; V75-V87 HydrophobicContact CG2-CB 4.26Å; V75-V87 HydrophobicContact CG2-CG2 3.59Å |
| 76 | E | 64.1 | Low | 63.4 | Low | 131 Ų | 131 | 96.2 Ų | 96.2 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 136.4 | 169.6 | -67.9 | 176.7 | 175.3 | 0 | 0 | 108.7 | Q78 E82 | E76-Q78 PolarHBondContact O-N 2.64Å; E76-E82 WeakPolarHBondContact CA-O 3.05Å |
| 77 | D | 62.9 | Low | 64.5 | Low | 56 Ų | 56 | 93.9 Ų | 93.9 | 30% | 0.299 | 50% | 0.495 | S | S | . | . | trans | -65.1 | 122.7 | 168.1 | -167.7 | -35.4 | 0 | 0 | 0 | 108.6 | T79 T80 G81 E82 S84 | D77-T79 VanDerWaalsContact CG-OG1 3.29Å; D77-T79 PolarHBondContact O-N 3.01Å; D77-T79 VanDerWaalsContact O-N 3.1Å; D77-T79 WeakPolarHBondContact OD1-CB 3.42Å; D77-T79 PolarHBondContact OD1-N 3.29Å; D77-T79 PolarHBondContact OD1-OG1 3.24Å; D77-T80 VanDerWaalsContact CB-OG1 3.29Å; D77-T80 WeakPolarHBondContact CB-OG1 2.86Å; D77-T80 PolarHBondContact O-N 2.95Å; D77-G81 WeakPolarHBondContact O-CA 3.34Å; D77-G81 PolarHBondContact O-N 2.76Å; D77-E82 PolarHBondContact N-O 2.91Å; D77-S84 PolarHBondContact N-OG 3.28Å | ||
| 78 | Q | 68.2 | Low | 65.2 | Low | 201 Ų | 201 | 95.3 Ų | 95.3 | 94% | 0.939 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.7 | 179.8 | -65.3 | -174.6 | 29.6 | 0 | 0 | 112.7 | E76 | E76-Q78 PolarHBondContact O-N 2.64Š|
| 79 | T | 74.9 | Confident | 65.5 | Low | 122 Ų | 122 | 100.2 Ų | 100.2 | 75% | 0.748 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -35.6 | -178.4 | 61.1 | 0 | 0 | 0 | 0 | 114 | D77 | D77-T79 VanDerWaalsContact CG-OG1 3.29Å; D77-T79 PolarHBondContact O-N 3.01Å; D77-T79 VanDerWaalsContact O-N 3.1Å; D77-T79 WeakPolarHBondContact OD1-CB 3.42Å; D77-T79 PolarHBondContact OD1-N 3.29Å; D77-T79 PolarHBondContact OD1-OG1 3.24Å |
| 80 | T | 73.1 | Confident | 65.6 | Low | 92 Ų | 92 | 105 Ų | 105 | 56% | 0.564 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -14.4 | -178.4 | 37.4 | 0 | 0 | 0 | 0 | 113.9 | D77 E82 | D77-T80 VanDerWaalsContact CB-OG1 3.29Å; D77-T80 WeakPolarHBondContact CB-OG1 2.86Å; D77-T80 PolarHBondContact O-N 2.95Å; T80-E82 PolarHBondContact O-N 3.14Å; T80-E82 VanDerWaalsContact O-N 3.16Å |
| 81 | G | 65.3 | Low | 65.8 | Low | 47 Ų | 47 | 107.2 Ų | 107.2 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | trans | 67.6 | 4.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D77 | D77-G81 WeakPolarHBondContact O-CA 3.34Å; D77-G81 PolarHBondContact O-N 2.76Å | ||
| 82 | E | 67.8 | Low | 65.4 | Low | 136 Ų | 136 | 107.1 Ų | 107.1 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -88.2 | 146.6 | 176.9 | -66.1 | -157.8 | 134.8 | 0 | 0 | 110.4 | E76 D77 T80 S84 | E76-E82 WeakPolarHBondContact CA-O 3.05Å; D77-E82 PolarHBondContact N-O 2.91Å; T80-E82 PolarHBondContact O-N 3.14Å; T80-E82 VanDerWaalsContact O-N 3.16Å; E82-S84 PolarHBondContact O-N 2.98Å |
| 83 | P | 66.2 | Low | 65 | Low | 71 Ų | 71 | 106.5 Ų | 106.5 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 104.3 | 174 | 26.8 | -33.5 | 0 | 0 | 0 | 109.3 | R74 | R74-P83 HydrophobicContact CB-CB 3.94Å; R74-P83 HydrophobicContact CG-CB 4.25Å |
| 84 | S | 70.3 | Confident | 64.4 | Low | 72 Ų | 72 | 104.9 Ų | 104.9 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -30.5 | -178.6 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | V75 D77 E82 | V75-S84 PolarHBondContact O-N 3.37Å; V75-S84 PolarHBondContact O-OG 3.46Å; D77-S84 PolarHBondContact N-OG 3.28Å; E82-S84 PolarHBondContact O-N 2.98Å |
| 85 | Q | 73 | Confident | 63.7 | Low | 127 Ų | 127 | 97.4 Ų | 97.4 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 133.8 | -173.8 | -163.7 | 171.8 | 7.5 | 0 | 0 | 112.6 | R74 V75 V87 | R74-Q85 WeakPolarHBondContact CA-O 3.34Å; V75-Q85 PolarHBondContact N-O 3.49Å; V75-Q85 PolarHBondContact O-N 2.99Å; Q85-V87 HydrophobicContact CB-CG2 4.48Å; Q85-V87 HydrophobicContact CG-CG2 4.08Å |
| 86 | E | 66.5 | Low | 63 | Low | 115 Ų | 115 | 102.5 Ų | 102.5 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 114.5 | 169 | -167.9 | 168.8 | 175.9 | 0 | 0 | 109 | T72 | T72-E86 WeakPolarHBondContact CB-OE1 3.27Å; T72-E86 HydrophobicContact CG2-CG 3.75Å; T72-E86 VanDerWaalsContact CG2-OE1 3.28Å; T72-E86 WeakPolarHBondContact CG2-OE1 3.43Å; T72-E86 PolarHBondContact OG1-OE1 3.41Å |
| 87 | V | 69 | Low | 62.4 | Low | 38 Ų | 38 | 100.4 Ų | 100.4 | 23% | 0.23 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.6 | -177.6 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | T72 Y73 V75 Q85 | T72-V87 CarbonylContact C-O 3.59Å; T72-V87 WeakPolarHBondContact CA-O 3.35Å; Y73-V87 HydrophobicContact CD1-CB 4.36Å; Y73-V87 VanDerWaalsContact CD1-O 3.27Å; Y73-V87 WeakPolarHBondContact CD1-O 3.35Å; Y73-V87 HydrophobicContact CE1-CB 3.75Å; Y73-V87 HydrophobicContact CE1-CG1 3.74Å; Y73-V87 HydrophobicContact CE2-CB 4.33Å; Y73-V87 PolarHBondContact N-O 3.23Å; Y73-V87 PolarHBondContact O-N 3.02Å; V75-V87 HydrophobicContact CG2-CB 4.26Å; V75-V87 HydrophobicContact CG2-CG2 3.59Å; Q85-V87 HydrophobicContact CB-CG2 4.48Å; Q85-V87 HydrophobicContact CG-CG2 4.08Å |
| 88 | R | 63.7 | Low | 61.7 | Low | 165 Ų | 165 | 98.2 Ų | 98.2 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121 | 174.5 | -68.9 | -179 | 85.5 | 164.5 | 3 | 109 | T70 T72 | T70-R88 HydrophobicContact CG2-CB 4.33Å; T70-R88 PolarHBondContact OG1-NE 3.22Å; T70-R88 PolarHBondContact OG1-NH2 3.11Å; T72-R88 HydrophobicContact CG2-CG 3.48Å; T72-R88 VanDerWaalsContact CG2-CG 3.48Å |
| 89 | R | 59.3 | Low | 60.9 | Low | 178 Ų | 178 | 94.5 Ų | 94.5 | 67% | 0.672 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 135.2 | 170.2 | 175.6 | 173.9 | -174.8 | -171.7 | 3.8 | 110.4 | T70 E71 Y73 K91 | T70-R89 CarbonylContact C-O 3.55Å; T70-R89 VanDerWaalsContact CA-O 3.27Å; T70-R89 WeakPolarHBondContact CA-O 3.28Å; E71-R89 PolarHBondContact N-O 3.42Å; E71-R89 PolarHBondContact O-N 3.05Å; Y73-R89 HydrophobicContact CD1-CB 3.98Å; Y73-R89 HydrophobicContact CE1-CB 3.55Å; R89-K91 PolarHBondContact O-N 3.1Å |
| 90 | E | 56.8 | Low | 59.9 | Low | 143 Ų | 143 | 93.2 Ų | 93.2 | 67% | 0.668 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.7 | 172.2 | -63.5 | -170.5 | 170 | 0 | 0 | 110.3 | C69 T70 P92 | C69-E90 CarbonylContact O-C 3.58Å; C69-E90 WeakPolarHBondContact O-CA 3.35Å; T70-E90 HydrophobicContact CG2-CG 4.08Å; E90-P92 WeakPolarHBondContact O-CD 3.46Å |
| 91 | K | 56.5 | Low | 59 | Low | 80 Ų | 80 | 91.9 Ų | 91.9 | 35% | 0.348 | 47% | 0.467 | S | S | . | . | trans | -106.4 | 95.3 | 175 | -156.4 | 179.9 | -160.5 | 161.8 | 0 | 107.6 | C69 E71 R89 S93 K94 | C69-K91 PolarHBondContact O-N 3.23Å; E71-K91 IonicContact OE1-NZ 3.37Å; E71-K91 WeakPolarHBondContact OE2-CD 3.04Å; E71-K91 WeakPolarHBondContact OE2-CE 3.49Å; E71-K91 IonicContact OE2-NZ 3.39Å; E71-K91 PolarHBondContact OE2-NZ 2.81Å; R89-K91 PolarHBondContact O-N 3.1Å; K91-S93 PolarHBondContact O-N 3.39Å; K91-S93 VanDerWaalsContact O-N 3.09Å; K91-K94 HydrophobicContact CB-CD 4.47Å; K91-K94 HydrophobicContact CB-CG 4.44Å; K91-K94 HydrophobicContact CD-CD 4.12Å; K91-K94 HydrophobicContact CD-CG 4.17Å; K91-K94 PolarHBondContact O-N 3.13Å | ||
| 92 | P | 52.8 | Low | 58.6 | Low | 74 Ų | 74 | 93.6 Ų | 93.6 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -59.8 | -27 | -174.2 | 19 | -30.1 | 0 | 0 | 0 | 112.9 | E90 K94 C95 G98 | E90-P92 WeakPolarHBondContact O-CD 3.46Å; P92-K94 PolarHBondContact O-N 3.45Å; P92-C95 WeakPolarHBondContact O-CB 3.17Å; P92-C95 PolarHBondContact O-N 3Å; P92-G98 CarbonylContact O-C 3.43Å; P92-G98 WeakPolarHBondContact O-CA 3.47Å |
| 93 | S | 53.2 | Low | 58.2 | Low | 55 Ų | 55 | 93.3 Ų | 93.3 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -66.2 | -17.3 | 174.8 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | K91 K99 | K91-S93 PolarHBondContact O-N 3.39Å; K91-S93 VanDerWaalsContact O-N 3.09Å; S93-K99 WeakPolarHBondContact O-CE 3.45Å; S93-K99 VanDerWaalsContact O-CG 3.28Å; S93-K99 WeakPolarHBondContact O-CG 3.21Å |
| 94 | K | 53 | Low | 57.8 | Low | 78 Ų | 78 | 97.2 Ų | 97.2 | 34% | 0.339 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -89.6 | -17.9 | 171.1 | -68.3 | -175.1 | -178.3 | 174.7 | 0 | 112.2 | E71 K91 P92 | E71-K94 IonicContact OE1-NZ 2.7Å; E71-K94 PolarHBondContact OE1-NZ 3.09Å; K91-K94 HydrophobicContact CB-CD 4.47Å; K91-K94 HydrophobicContact CB-CG 4.44Å; K91-K94 HydrophobicContact CD-CD 4.12Å; K91-K94 HydrophobicContact CD-CG 4.17Å; K91-K94 PolarHBondContact O-N 3.13Å; P92-K94 PolarHBondContact O-N 3.45Å |
| 95 | C | 52.4 | Low | 57.3 | Low | 12 Ų | 12 | 96 Ų | 96 | 8% | 0.081 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -82.6 | 139.8 | 175.7 | -53.7 | 0 | 0 | 0 | 0 | 111 | C69 P92 S97 G98 K99 | C69-C95 HydrophobicContact CB-CB 4.43Å; C69-C95 WeakPolarHBondContact CB-SG 3.47Å; C69-C95 WeakPolarHBondContact SG-CA 3.27Å; C69-C95 WeakPolarHBondContact SG-CB 3.34Å; C69-C95 CovalentContact SG-SG 2.02Å; C69-C95 PolarHBondContact SG-SG 2.63Å; P92-C95 WeakPolarHBondContact O-CB 3.17Å; P92-C95 PolarHBondContact O-N 3Å; C95-S97 VanDerWaalsContact C-N 3.26Å; C95-S97 PolarHBondContact O-N 2.9Å; C95-G98 PolarHBondContact O-N 2.93Å; C95-K99 WeakPolarHBondContact O-CG 3.43Å; C95-K99 PolarHBondContact O-N 2.92Å |
| 96 | H | 53.5 | Low | 56.6 | Low | 160 Ų | 160 | 97.2 Ų | 97.2 | 74% | 0.741 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58 | -42 | 171.7 | -168.6 | 63.6 | 0 | 0 | 0 | 111.5 | K99 E100 | H96-K99 PolarHBondContact O-N 3.47Å; H96-E100 PolarHBondContact O-N 3.36Å; H96-E100 VanDerWaalsContact O-N 3.13Å |
| 97 | S | 52.6 | Low | 56.5 | Low | 86 Ų | 86 | 95.6 Ų | 95.6 | 60% | 0.601 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 175.8 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | C95 E100 L101 | C95-S97 VanDerWaalsContact C-N 3.26Å; C95-S97 PolarHBondContact O-N 2.9Å; S97-E100 PolarHBondContact O-N 3.43Å; S97-L101 WeakPolarHBondContact O-CB 3.38Å; S97-L101 PolarHBondContact O-N 2.92Å; S97-L101 VanDerWaalsContact O-N 3.1Å |
| 98 | G | 47.1 | Very low | 56 | Low | 10 Ų | 10 | 95.3 Ų | 95.3 | 10% | 0.103 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70.8 | -34 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P92 C95 L101 I102 | P92-G98 CarbonylContact O-C 3.43Å; P92-G98 WeakPolarHBondContact O-CA 3.47Å; C95-G98 PolarHBondContact O-N 2.93Å; G98-L101 PolarHBondContact O-N 3.32Å; G98-I102 WeakPolarHBondContact O-CB 3.38Å; G98-I102 WeakPolarHBondContact O-CD1 3.42Å; G98-I102 WeakPolarHBondContact O-CG1 3.38Å; G98-I102 PolarHBondContact O-N 2.82Å |
| 99 | K | 52 | Low | 55.8 | Low | 123 Ų | 123 | 90 Ų | 90 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 171.3 | -75.5 | -173.7 | -179.4 | -176.1 | 0 | 112.2 | S93 C95 H96 L101 I102 M103 | S93-K99 WeakPolarHBondContact O-CE 3.45Å; S93-K99 VanDerWaalsContact O-CG 3.28Å; S93-K99 WeakPolarHBondContact O-CG 3.21Å; C95-K99 WeakPolarHBondContact O-CG 3.43Å; C95-K99 PolarHBondContact O-N 2.92Å; H96-K99 PolarHBondContact O-N 3.47Å; K99-L101 VanDerWaalsContact C-N 3.3Å; K99-L101 PolarHBondContact O-N 3.45Å; K99-I102 PolarHBondContact O-N 2.83Å; K99-M103 WeakPolarHBondContact O-CB 2.89Å; K99-M103 WeakPolarHBondContact O-CG 3.28Å; K99-M103 PolarHBondContact O-N 2.93Å |
| 100 | E | 54.4 | Low | 55.9 | Low | 96 Ų | 96 | 87 Ų | 87 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 178.6 | -164.3 | -174 | 164.8 | 0 | 0 | 111.2 | H96 S97 M103 R104 | H96-E100 PolarHBondContact O-N 3.36Å; H96-E100 VanDerWaalsContact O-N 3.13Å; S97-E100 PolarHBondContact O-N 3.43Å; E100-M103 PolarHBondContact O-N 2.9Å; E100-R104 WeakPolarHBondContact O-CG 3.42Å; E100-R104 PolarHBondContact O-N 2.67Å; E100-R104 IonicContact OE1-CZ 2.72Å; E100-R104 IonicContact OE1-NE 3.74Å; E100-R104 PolarHBondContact OE1-NE 3.26Å; E100-R104 IonicContact OE1-NH2 2.73Å; E100-R104 PolarHBondContact OE1-NH2 3.5Å |
| 101 | L | 53.4 | Low | 56 | Low | 63 Ų | 63 | 81.2 Ų | 81.2 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 179.2 | -157.3 | 149.6 | 0 | 0 | 0 | 112.3 | S97 G98 K99 M103 R104 T105 V130 | S97-L101 WeakPolarHBondContact O-CB 3.38Å; S97-L101 PolarHBondContact O-N 2.92Å; S97-L101 VanDerWaalsContact O-N 3.1Å; G98-L101 PolarHBondContact O-N 3.32Å; K99-L101 VanDerWaalsContact C-N 3.3Å; K99-L101 PolarHBondContact O-N 3.45Å; L101-M103 VanDerWaalsContact C-N 3.33Å; L101-M103 PolarHBondContact O-N 2.65Å; L101-R104 PolarHBondContact O-N 3.45Å; L101-T105 HydrophobicContact CD2-CG2 4.07Å; L101-T105 WeakPolarHBondContact O-CG2 3.36Å; L101-T105 PolarHBondContact O-N 2.9Å; L101-T105 PolarHBondContact O-OG1 2.7Å; L101-V130 HydrophobicContact CD1-CG2 4.23Å; L101-V130 HydrophobicContact CD2-CG2 3.31Å; L101-V130 HydrophobicContact CG-CG2 4.4Å |
| 102 | I | 57.7 | Low | 55.9 | Low | 84 Ų | 84 | 81 Ų | 81 | 43% | 0.431 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 172.8 | -67.9 | 164.7 | 0 | 0 | 0 | 110.7 | G98 K99 T105 Y106 | G98-I102 WeakPolarHBondContact O-CB 3.38Å; G98-I102 WeakPolarHBondContact O-CD1 3.42Å; G98-I102 WeakPolarHBondContact O-CG1 3.38Å; G98-I102 PolarHBondContact O-N 2.82Å; K99-I102 PolarHBondContact O-N 2.83Å; I102-T105 WeakPolarHBondContact CA-OG1 3.36Å; I102-T105 PolarHBondContact O-N 2.91Å; I102-T105 PolarHBondContact O-OG1 3.37Å; I102-Y106 WeakPolarHBondContact O-CB 3.5Å; I102-Y106 PolarHBondContact O-N 2.81Å |
| 103 | M | 59.4 | Low | 56.2 | Low | 129 Ų | 129 | 82.4 Ų | 82.4 | 64% | 0.635 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 176.2 | -81.5 | -87.9 | -76 | 0 | 0 | 112.2 | K99 E100 L101 Y106 T107 | K99-M103 WeakPolarHBondContact O-CB 2.89Å; K99-M103 WeakPolarHBondContact O-CG 3.28Å; K99-M103 PolarHBondContact O-N 2.93Å; E100-M103 PolarHBondContact O-N 2.9Å; L101-M103 VanDerWaalsContact C-N 3.33Å; L101-M103 PolarHBondContact O-N 2.65Å; M103-Y106 PolarHBondContact O-N 2.87Å; M103-T107 WeakPolarHBondContact O-CB 3.37Å; M103-T107 PolarHBondContact O-N 2.99Å; M103-T107 PolarHBondContact O-OG1 2.71Å |
| 104 | R | 57.6 | Low | 56.8 | Low | 154 Ų | 154 | 85.3 Ų | 85.3 | 58% | 0.581 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.6 | -48 | 176 | -75 | -178.1 | -172.7 | -162.5 | 4.5 | 111.7 | E100 L101 Y106 T107 L108 | E100-R104 WeakPolarHBondContact O-CG 3.42Å; E100-R104 PolarHBondContact O-N 2.67Å; E100-R104 IonicContact OE1-CZ 2.72Å; E100-R104 IonicContact OE1-NE 3.74Å; E100-R104 PolarHBondContact OE1-NE 3.26Å; E100-R104 IonicContact OE1-NH2 2.73Å; E100-R104 PolarHBondContact OE1-NH2 3.5Å; L101-R104 PolarHBondContact O-N 3.45Å; R104-Y106 PolarHBondContact O-N 2.94Å; R104-T107 PolarHBondContact O-N 3.37Å; R104-L108 WeakPolarHBondContact O-CB 3.33Å; R104-L108 WeakPolarHBondContact O-CG 3.35Å; R104-L108 PolarHBondContact O-N 2.9Å |
| 105 | T | 58.6 | Low | 56.9 | Low | 47 Ų | 47 | 84.3 Ų | 84.3 | 29% | 0.288 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 177.6 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | L101 I102 L108 A109 | L101-T105 HydrophobicContact CD2-CG2 4.07Å; L101-T105 WeakPolarHBondContact O-CG2 3.36Å; L101-T105 PolarHBondContact O-N 2.9Å; L101-T105 PolarHBondContact O-OG1 2.7Å; I102-T105 WeakPolarHBondContact CA-OG1 3.36Å; I102-T105 PolarHBondContact O-N 2.91Å; I102-T105 PolarHBondContact O-OG1 3.37Å; T105-L108 PolarHBondContact O-N 2.92Å; T105-A109 VanDerWaalsContact O-CB 3.3Å; T105-A109 WeakPolarHBondContact O-CB 3.42Å; T105-A109 PolarHBondContact O-N 2.9Å |
| 106 | Y | 59.9 | Low | 57 | Low | 152 Ų | 152 | 89.2 Ų | 89.2 | 60% | 0.596 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66 | -41 | 175.7 | -172.9 | -100 | 0 | 0 | 0 | 112.4 | I102 M103 R104 A109 K110 | I102-Y106 WeakPolarHBondContact O-CB 3.5Å; I102-Y106 PolarHBondContact O-N 2.81Å; M103-Y106 PolarHBondContact O-N 2.87Å; R104-Y106 PolarHBondContact O-N 2.94Å; Y106-A109 PolarHBondContact O-N 2.74Å; Y106-K110 HydrophobicContact CE1-CD 4.23Å; Y106-K110 VanDerWaalsContact O-CB 3.25Å; Y106-K110 WeakPolarHBondContact O-CB 3.32Å; Y106-K110 PolarHBondContact O-N 3.47Å |
| 107 | T | 63.4 | Low | 56.9 | Low | 80 Ų | 80 | 90.3 Ų | 90.3 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 177 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | M103 R104 K110 S111 | M103-T107 WeakPolarHBondContact O-CB 3.37Å; M103-T107 PolarHBondContact O-N 2.99Å; M103-T107 PolarHBondContact O-OG1 2.71Å; R104-T107 PolarHBondContact O-N 3.37Å; T107-K110 PolarHBondContact O-N 2.94Å; T107-S111 WeakPolarHBondContact O-CB 3.38Å; T107-S111 PolarHBondContact O-N 2.93Å; T107-S111 PolarHBondContact O-OG 2.84Å |
| 108 | L | 58 | Low | 56.9 | Low | 33 Ų | 33 | 90.3 Ų | 90.3 | 17% | 0.173 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 174.2 | -78.8 | 161.9 | 0 | 0 | 0 | 112.1 | R104 T105 K110 S111 L112 L123 | R104-L108 WeakPolarHBondContact O-CB 3.33Å; R104-L108 WeakPolarHBondContact O-CG 3.35Å; R104-L108 PolarHBondContact O-N 2.9Å; T105-L108 PolarHBondContact O-N 2.92Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.33Å; L108-S111 PolarHBondContact O-N 3.5Å; L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 3.49Å; L108-L123 HydrophobicContact CB-CD1 4.2Å |
| 109 | A | 60.5 | Low | 57.1 | Low | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T105 Y106 L112 S113 | T105-A109 VanDerWaalsContact O-CB 3.3Å; T105-A109 WeakPolarHBondContact O-CB 3.42Å; T105-A109 PolarHBondContact O-N 2.9Å; Y106-A109 PolarHBondContact O-N 2.74Å; A109-L112 PolarHBondContact O-N 3.34Å; A109-S113 WeakPolarHBondContact O-CB 3.37Å; A109-S113 PolarHBondContact O-N 2.92Å |
| 110 | K | 61.5 | Low | 57.1 | Low | 116 Ų | 116 | 96 Ų | 96 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 176 | -169.1 | 174.2 | -177.2 | 179.9 | 0 | 111.9 | Y106 T107 L108 S113 N114 | Y106-K110 HydrophobicContact CE1-CD 4.23Å; Y106-K110 VanDerWaalsContact O-CB 3.25Å; Y106-K110 WeakPolarHBondContact O-CB 3.32Å; Y106-K110 PolarHBondContact O-N 3.47Å; T107-K110 PolarHBondContact O-N 2.94Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.33Å; K110-S113 PolarHBondContact O-N 3.39Å; K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 VanDerWaalsContact O-CG 3.23Å; K110-N114 PolarHBondContact O-N 2.85Å; K110-N114 PolarHBondContact O-ND2 2.72Å |
| 111 | S | 58.2 | Low | 57 | Low | 21 Ų | 21 | 95 Ų | 95 | 15% | 0.147 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 173.1 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | T107 L108 N114 G115 Q116 | T107-S111 WeakPolarHBondContact O-CB 3.38Å; T107-S111 PolarHBondContact O-N 2.93Å; T107-S111 PolarHBondContact O-OG 2.84Å; L108-S111 PolarHBondContact O-N 3.5Å; S111-N114 CarbonylContact O-C 3.47Å; S111-N114 PolarHBondContact O-N 3.33Å; S111-G115 PolarHBondContact O-N 3.46Å; S111-Q116 WeakPolarHBondContact O-CB 3.4Å; S111-Q116 PolarHBondContact O-N 2.94Å |
| 112 | L | 54.7 | Low | 56.8 | Low | 75 Ų | 75 | 97.9 Ų | 97.9 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 173.5 | -76.7 | 169.5 | 0 | 0 | 0 | 112.3 | L108 A109 N114 G115 L123 | L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 3.49Å; A109-L112 PolarHBondContact O-N 3.34Å; L112-N114 PolarHBondContact O-N 3.44Å; L112-G115 PolarHBondContact O-N 2.99Å; L112-L123 HydrophobicContact CD1-CD1 3.47Å; L112-L123 VanDerWaalsContact CD1-CD1 3.47Å; L112-L123 HydrophobicContact CD1-CD2 4Å; L112-L123 HydrophobicContact CD1-CG 4.36Å |
| 113 | S | 59 | Low | 56.5 | Low | 103 Ų | 103 | 96.1 Ų | 96.1 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -30.5 | 174 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | A109 K110 G115 | A109-S113 WeakPolarHBondContact O-CB 3.37Å; A109-S113 PolarHBondContact O-N 2.92Å; K110-S113 PolarHBondContact O-N 3.39Å; S113-G115 PolarHBondContact O-N 2.88Å |
| 114 | N | 66.1 | Low | 56.3 | Low | 116 Ų | 116 | 93.9 Ų | 93.9 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 7.7 | 174.8 | -70.7 | -15.7 | 0 | 0 | 0 | 113 | K110 S111 L112 Q116 | K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 VanDerWaalsContact O-CG 3.23Å; K110-N114 PolarHBondContact O-N 2.85Å; K110-N114 PolarHBondContact O-ND2 2.72Å; S111-N114 CarbonylContact O-C 3.47Å; S111-N114 PolarHBondContact O-N 3.33Å; L112-N114 PolarHBondContact O-N 3.44Å; N114-Q116 VanDerWaalsContact C-N 3.28Å; N114-Q116 PolarHBondContact O-N 3.21Å |
| 115 | G | 54.3 | Low | 56.2 | Low | 57 Ų | 57 | 91.7 Ų | 91.7 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 12.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S111 L112 S113 H117 | S111-G115 PolarHBondContact O-N 3.46Å; L112-G115 PolarHBondContact O-N 2.99Å; S113-G115 PolarHBondContact O-N 2.88Å; G115-H117 PolarHBondContact O-N 3.29Å |
| 116 | Q | 55.3 | Low | 55.8 | Low | 115 Ų | 115 | 90.4 Ų | 90.4 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | trans | -82.9 | 102.7 | 172 | -70.4 | -166.7 | -27.5 | 0 | 0 | 109.6 | S111 N114 H118 | S111-Q116 WeakPolarHBondContact O-CB 3.4Å; S111-Q116 PolarHBondContact O-N 2.94Å; N114-Q116 VanDerWaalsContact C-N 3.28Å; N114-Q116 PolarHBondContact O-N 3.21Å; Q116-H118 VanDerWaalsContact C-N 3.32Å; Q116-H118 PolarHBondContact O-N 3.14Å | ||
| 117 | H | 51.5 | Low | 55.5 | Low | 184 Ų | 184 | 87.6 Ų | 87.6 | 85% | 0.852 | 49% | 0.491 | S | S | * | . | trans | -65.6 | 88.2 | 168.8 | -84.3 | -90.7 | 0 | 0 | 0 | 110 | G115 | G115-H117 PolarHBondContact O-N 3.29Š| ||
| 118 | H | 51.5 | Low | 54.7 | Low | 85 Ų | 85 | 90 Ų | 90 | 39% | 0.394 | 50% | 0.495 | S | S | . | . | trans | -75.1 | 147.3 | 156.7 | -70.7 | -72 | 0 | 0 | 0 | 109.3 | Q116 L120 | Q116-H118 VanDerWaalsContact C-N 3.32Å; Q116-H118 PolarHBondContact O-N 3.14Å; H118-L120 PolarHBondContact O-N 2.98Å; H118-L120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | N | 52.5 | Low | 54.2 | Low | 127 Ų | 127 | 90.6 Ų | 90.6 | 68% | 0.679 | 51% | 0.509 | S | S | * | . | trans | -51.1 | 123.1 | 179.6 | -74.7 | -35.4 | 0 | 0 | 0 | 109.8 | S121 E122 | N119-S121 PolarHBondContact O-N 2.92Å; N119-E122 PolarHBondContact O-N 3.3Å | ||
| 120 | L | 52.1 | Low | 53.4 | Low | 127 Ų | 127 | 92.1 Ų | 92.1 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -50 | -25.8 | -179.9 | -151.4 | 101.3 | 0 | 0 | 0 | 112.5 | H118 E122 L123 I124 | H118-L120 PolarHBondContact O-N 2.98Å; H118-L120 VanDerWaalsContact O-N 3.15Å; L120-E122 PolarHBondContact O-N 3.4Å; L120-L123 WeakPolarHBondContact O-CB 3.3Å; L120-L123 PolarHBondContact O-N 3.15Å; L120-I124 HydrophobicContact CD2-CD1 3.98Å; L120-I124 WeakPolarHBondContact O-CG1 3.25Å; L120-I124 PolarHBondContact O-N 2.92Å |
| 121 | S | 51.1 | Low | 52.3 | Low | 75 Ų | 75 | 92.8 Ų | 92.8 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 174.9 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | N119 L123 V125 | N119-S121 PolarHBondContact O-N 2.92Å; S121-L123 VanDerWaalsContact C-N 3.34Å; S121-V125 WeakPolarHBondContact O-CG2 3.45Å; S121-V125 PolarHBondContact O-N 3.38Å |
| 122 | E | 51 | Low | 51.5 | Low | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.5 | -31.5 | 176.8 | -69.8 | -159.5 | 159.1 | 0 | 0 | 111.9 | N119 L120 G126 | N119-E122 PolarHBondContact O-N 3.3Å; L120-E122 PolarHBondContact O-N 3.4Å; E122-G126 PolarHBondContact O-N 3.43Å |
| 123 | L | 51.3 | Low | 51.3 | Low | 48 Ų | 48 | 103.6 Ų | 103.6 | 25% | 0.251 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.2 | -45.1 | 176.4 | -164.3 | 80.6 | 0 | 0 | 0 | 111.6 | L108 L112 L120 S121 G126 I127 | L108-L123 HydrophobicContact CB-CD1 4.2Å; L112-L123 HydrophobicContact CD1-CD1 3.47Å; L112-L123 VanDerWaalsContact CD1-CD1 3.47Å; L112-L123 HydrophobicContact CD1-CD2 4Å; L112-L123 HydrophobicContact CD1-CG 4.36Å; L120-L123 WeakPolarHBondContact O-CB 3.3Å; L120-L123 PolarHBondContact O-N 3.15Å; S121-L123 VanDerWaalsContact C-N 3.34Å; L123-G126 PolarHBondContact O-N 3.29Å; L123-I127 HydrophobicContact CD2-CD1 4.33Å; L123-I127 HydrophobicContact CG-CD1 4.05Å; L123-I127 WeakPolarHBondContact O-CG1 3.5Å; L123-I127 PolarHBondContact O-N 3.15Å |
| 124 | I | 53.6 | Low | 50.9 | Low | 81 Ų | 81 | 103.6 Ų | 103.6 | 42% | 0.415 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -44.2 | 177.9 | -68.7 | 171.2 | 0 | 0 | 0 | 109.8 | L120 G126 I127 F128 | L120-I124 HydrophobicContact CD2-CD1 3.98Å; L120-I124 WeakPolarHBondContact O-CG1 3.25Å; L120-I124 PolarHBondContact O-N 2.92Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.19Å; I124-I127 PolarHBondContact O-N 2.87Å; I124-F128 HydrophobicContact CB-CD2 4.39Å; I124-F128 HydrophobicContact CG2-CD2 3.52Å; I124-F128 HydrophobicContact CG2-CE2 3.94Å; I124-F128 HydrophobicContact CG2-CG 4.44Å; I124-F128 WeakPolarHBondContact O-CB 3.48Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 3.31Å |
| 125 | V | 56.2 | Low | 50.1 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 66% | 0.655 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.5 | -38.7 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | S121 I127 G129 | S121-V125 WeakPolarHBondContact O-CG2 3.45Å; S121-V125 PolarHBondContact O-N 3.38Å; V125-I127 PolarHBondContact O-N 3.44Å; V125-G129 WeakPolarHBondContact O-CA 3.4Å; V125-G129 PolarHBondContact O-N 3.44Å |
| 126 | G | 50.3 | Low | 49.8 | Very low | 21 Ų | 21 | 105.6 Ų | 105.6 | 22% | 0.216 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -65.9 | -33.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E122 L123 I124 | E122-G126 PolarHBondContact O-N 3.43Å; L123-G126 PolarHBondContact O-N 3.29Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.19Å |
| 127 | I | 52.9 | Low | 49.5 | Very low | 92 Ų | 92 | 105 Ų | 105 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -85 | -45.9 | 179 | -64.4 | 170.3 | 0 | 0 | 0 | 111.2 | L123 I124 V125 V130 | L123-I127 HydrophobicContact CD2-CD1 4.33Å; L123-I127 HydrophobicContact CG-CD1 4.05Å; L123-I127 WeakPolarHBondContact O-CG1 3.5Å; L123-I127 PolarHBondContact O-N 3.15Å; I124-I127 PolarHBondContact O-N 2.87Å; V125-I127 PolarHBondContact O-N 3.44Å; I127-V130 WeakPolarHBondContact O-CB 3.28Å; I127-V130 PolarHBondContact O-N 2.96Å |
| 128 | F | 48 | Very low | 49.4 | Very low | 131 Ų | 131 | 99.7 Ų | 99.7 | 58% | 0.575 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -80.3 | -20.6 | -177 | -76.6 | -87.4 | 0 | 0 | 0 | 113.6 | I124 V130 I131 | I124-F128 HydrophobicContact CB-CD2 4.39Å; I124-F128 HydrophobicContact CG2-CD2 3.52Å; I124-F128 HydrophobicContact CG2-CE2 3.94Å; I124-F128 HydrophobicContact CG2-CG 4.44Å; I124-F128 WeakPolarHBondContact O-CB 3.48Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 3.31Å; F128-V130 PolarHBondContact O-N 2.93Å; F128-V130 VanDerWaalsContact O-N 3.09Å; F128-I131 HydrophobicContact CD1-CD1 4.08Å; F128-I131 HydrophobicContact CE1-CD1 4.39Å; F128-I131 PolarHBondContact O-N 3.35Å; F128-I131 VanDerWaalsContact O-N 3.11Å |
| 129 | G | 46.5 | Very low | 49.2 | Very low | 46 Ų | 46 | 100.8 Ų | 100.8 | 47% | 0.474 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -8.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V125 | V125-G129 WeakPolarHBondContact O-CA 3.4Å; V125-G129 PolarHBondContact O-N 3.44Å |
| 130 | V | 44.8 | Very low | 49 | Very low | 85 Ų | 85 | 98.8 Ų | 98.8 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -11.8 | 176.1 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | L101 I127 F128 | L101-V130 HydrophobicContact CD1-CG2 4.23Å; L101-V130 HydrophobicContact CD2-CG2 3.31Å; L101-V130 HydrophobicContact CG-CG2 4.4Å; I127-V130 WeakPolarHBondContact O-CB 3.28Å; I127-V130 PolarHBondContact O-N 2.96Å; F128-V130 PolarHBondContact O-N 2.93Å; F128-V130 VanDerWaalsContact O-N 3.09Å |
| 131 | I | 37.9 | Very low | 48.7 | Very low | 129 Ų | 129 | 96.4 Ų | 96.4 | 66% | 0.662 | 54% | 0.538 | S | S | * | . | trans | -99.4 | 23.4 | -174.3 | -49.7 | 178.6 | 0 | 0 | 0 | 112 | F128 | F128-I131 HydrophobicContact CD1-CD1 4.08Å; F128-I131 HydrophobicContact CE1-CD1 4.39Å; F128-I131 PolarHBondContact O-N 3.35Å; F128-I131 VanDerWaalsContact O-N 3.11Å | ||
| 132 | I | 41 | Very low | 48.5 | Very low | 219 Ų | 219 | 98.4 Ų | 98.4 | 100% | 1.123 | 54% | 0.539 | S | S | * | . | trans | -120.9 | 0 | 165.7 | -56.2 | 177 | 0 | 0 | 0 | 107.8 |
Retrieved 132 of 132 residues in 46.9 ms
(Link to these results)