| 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 | 37.5 | Very low | 37.3 | Very low | 240 Ų | 240 | 156.1 Ų | 156.1 | 100% | 1.182 | 79% | 0.785 | S | S | * | * | 0 | 110.9 | 0 | -76.1 | 162.3 | -168.7 | 0 | 0 | 106.3 | L3 | M1-L3 PolarHBondContact O-N 3.04Š| |||
| 2 | A | 37.5 | Very low | 37.4 | Very low | 91 Ų | 91 | 159.6 Ų | 159.6 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -70.2 | 114.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | H4 | A2-H4 PolarHBondContact O-N 2.71Å; A2-H4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | L | 32.8 | Very low | 37.5 | Very low | 161 Ų | 161 | 159.1 Ų | 159.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 111.3 | 171.1 | -67.8 | 173.1 | 0 | 0 | 0 | 106.6 | M1 V5 | M1-L3 PolarHBondContact O-N 3.04Å; L3-V5 PolarHBondContact O-N 2.84Å | ||
| 4 | H | 33.7 | Very low | 37.8 | Very low | 183 Ų | 183 | 154.7 Ų | 154.7 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -62.2 | 102.7 | 168.4 | -72.4 | -96.3 | 0 | 0 | 0 | 107.3 | A2 W6 | A2-H4 PolarHBondContact O-N 2.71Å; A2-H4 VanDerWaalsContact O-N 3.16Å; H4-W6 PolarHBondContact O-N 3.1Å | ||
| 5 | V | 34.6 | Very low | 38.1 | Very low | 121 Ų | 121 | 160.8 Ų | 160.8 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -60.4 | 123.1 | 170.9 | 165.1 | 0 | 0 | 0 | 0 | 107.6 | L3 H7 | L3-V5 PolarHBondContact O-N 2.84Å; V5-H7 PolarHBondContact O-N 3.42Å | ||
| 6 | W | 27.6 | Very low | 38.1 | Very low | 218 Ų | 218 | 156.4 Ų | 156.4 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 131.8 | 178.5 | -141.1 | 73.8 | 0 | 0 | 0 | 109.3 | H4 P8 | H4-W6 PolarHBondContact O-N 3.1Å; W6-P8 HydrophobicContact CE3-CB 4.41Å; W6-P8 HydrophobicContact CZ3-CB 4.47Å; W6-P8 WeakPolarHBondContact O-CD 3.17Å | ||
| 7 | H | 38.6 | Very low | 38.6 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -94.6 | 104.5 | 174.4 | -69.8 | 173.4 | 0 | 0 | 0 | 109.6 | V5 F9 | V5-H7 PolarHBondContact O-N 3.42Å; H7-F9 PolarHBondContact O-N 2.87Å | ||
| 8 | P | 40.6 | Very low | 38.5 | Very low | 75 Ų | 75 | 151.6 Ų | 151.6 | 49% | 0.487 | 76% | 0.755 | S | S | . | * | trans | -80.5 | 51 | 174.6 | 33.5 | -34.7 | 0 | 0 | 0 | 111.6 | W6 | W6-P8 HydrophobicContact CE3-CB 4.41Å; W6-P8 HydrophobicContact CZ3-CB 4.47Å; W6-P8 WeakPolarHBondContact O-CD 3.17Å | ||
| 9 | F | 43 | Very low | 38.7 | Very low | 127 Ų | 127 | 156.2 Ų | 156.2 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | trans | -150.8 | 50.1 | -174.6 | -73.8 | -74.7 | 0 | 0 | 0 | 115.8 | H7 T116 | H7-F9 PolarHBondContact O-N 2.87Å; F9-T116 HydrophobicContact CZ-CG2 4.36Å | ||
| 10 | S | 40.9 | Very low | 38.8 | Very low | 115 Ų | 115 | 153.1 Ų | 153.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -130.3 | 5.1 | 174.3 | 81 | 0 | 0 | 0 | 0 | 118.3 | ||
| 11 | W | 44.1 | Very low | 38.5 | Very low | 223 Ų | 223 | 153.1 Ų | 153.1 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -133 | 38 | -171.3 | 85.2 | -49.1 | 0 | 0 | 0 | 115.9 | ||||
| 12 | W | 37.8 | Very low | 38.6 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | trans | -105.5 | 59 | 157.8 | -76.8 | 13.5 | 0 | 0 | 0 | 109.1 | A118 | W12-A118 HydrophobicContact CH2-CB 3.69Å; W12-A118 HydrophobicContact CZ3-CB 3.85Å | ||
| 13 | D | 39.5 | Very low | 38.5 | Very low | 153 Ų | 153 | 157.6 Ų | 157.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -134 | 54.7 | 169.4 | -139.6 | -16.7 | 0 | 0 | 0 | 107.9 | ||||
| 14 | D | 41.1 | Very low | 39.2 | Very low | 98 Ų | 98 | 156.3 Ų | 156.3 | 52% | 0.524 | 75% | 0.752 | S | S | . | * | trans | -119.1 | 89.4 | 160.2 | -166.6 | -0.4 | 0 | 0 | 0 | 108.8 | S16 | D14-S16 PolarHBondContact O-N 2.84Å; D14-S16 WeakPolarHBondContact OD1-CB 3.35Å; D14-S16 PolarHBondContact OD1-N 3.13Å; D14-S16 VanDerWaalsContact OD1-N 3.13Å; D14-S16 PolarHBondContact OD1-OG 2.77Å | ||
| 15 | R | 42.2 | Very low | 39.1 | Very low | 246 Ų | 246 | 159 Ų | 159 | 93% | 0.928 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 21.3 | 172 | -156.8 | 172.1 | -175.3 | -114.1 | 2.1 | 112.9 | ||
| 16 | S | 39 | Very low | 39.6 | Very low | 91 Ų | 91 | 156.8 Ų | 156.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | -13.7 | -170.7 | -15.3 | 0 | 0 | 0 | 0 | 116.2 | D14 | D14-S16 PolarHBondContact O-N 2.84Å; D14-S16 WeakPolarHBondContact OD1-CB 3.35Å; D14-S16 PolarHBondContact OD1-N 3.13Å; D14-S16 VanDerWaalsContact OD1-N 3.13Å; D14-S16 PolarHBondContact OD1-OG 2.77Å |
| 17 | S | 45.2 | Very low | 40.1 | Very low | 69 Ų | 69 | 153.3 Ų | 153.3 | 48% | 0.483 | 74% | 0.742 | S | S | . | * | G | 310 helix | trans | -94.9 | 3.7 | -168.5 | 79.3 | 0 | 0 | 0 | 0 | 116.6 | R19 S20 | S17-R19 PolarHBondContact O-N 3.15Å; S17-S20 PolarHBondContact O-N 2.68Å |
| 18 | L | 38.1 | Very low | 40.5 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -62 | 2.3 | 171.9 | -82.2 | 175.1 | 0 | 0 | 0 | 114.7 | L21 | L18-L21 HydrophobicContact CD2-CD1 3.89Š|
| 19 | R | 40.8 | Very low | 40.7 | Very low | 239 Ų | 239 | 157 Ų | 157 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -88.8 | -5.4 | 165.5 | -70.7 | -169.7 | -164.9 | -99.6 | 1.2 | 115 | S17 | S17-R19 PolarHBondContact O-N 3.15Š|
| 20 | S | 41 | Very low | 40.8 | Very low | 94 Ų | 94 | 161.8 Ų | 161.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -130.7 | 52.9 | -178.1 | -69 | 0 | 0 | 0 | 0 | 112.1 | S17 K22 | S17-S20 PolarHBondContact O-N 2.68Å; S20-K22 PolarHBondContact O-N 2.67Å | ||
| 21 | L | 32.9 | Very low | 40.8 | Very low | 153 Ų | 153 | 160.8 Ų | 160.8 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | -72.8 | 19.1 | 166.7 | -134 | 125.5 | 0 | 0 | 0 | 112.9 | L18 | L18-L21 HydrophobicContact CD2-CD1 3.89Š| ||
| 22 | K | 39.3 | Very low | 41.2 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -111.3 | 121.1 | 169.3 | -82.6 | -166.3 | 175.8 | -170.7 | 0 | 107.8 | S20 | S20-K22 PolarHBondContact O-N 2.67Š|
| 23 | R | 36.8 | Very low | 41.4 | Very low | 243 Ų | 243 | 150.8 Ų | 150.8 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 102.1 | 77 | 170 | -55.9 | 166.2 | -179 | 166.4 | -0.4 | 114.7 | ||
| 24 | C | 47.6 | Very low | 41.9 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 91% | 0.905 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -155.7 | 11.7 | 144.7 | -133 | 0 | 0 | 0 | 0 | 114.9 | ||
| 25 | W | 30.7 | Very low | 41.8 | Very low | 241 Ų | 241 | 156.3 Ų | 156.3 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -111.9 | 24.2 | 176.4 | 112 | -64.5 | 0 | 0 | 0 | 112.5 | ||
| 26 | S | 44 | Very low | 42 | Very low | 73 Ų | 73 | 150.7 Ų | 150.7 | 51% | 0.51 | 76% | 0.764 | S | S | . | * | trans | -147.7 | 113.9 | 172.8 | -48.4 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 27 | D | 38.3 | Very low | 42 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | -170.3 | 31.3 | 83.7 | -74.7 | -40.5 | 0 | 0 | 0 | 113.7 | L29 | D27-L29 VanDerWaalsContact C-N 3.29Å; D27-L29 PolarHBondContact O-N 3.35Å | |||
| 28 | D | 47.3 | Very low | 41.7 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -83.2 | 82.1 | 170.4 | -78.9 | -41.3 | 0 | 0 | 0 | 111.2 | ||
| 29 | L | 45 | Very low | 41.7 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 36.1 | 95.9 | 132.2 | -127.1 | 80.7 | 0 | 0 | 0 | 115.3 | D27 P31 | D27-L29 VanDerWaalsContact C-N 3.29Å; D27-L29 PolarHBondContact O-N 3.35Å; L29-P31 HydrophobicContact CD2-CG 3.97Å; L29-P31 HydrophobicContact CG-CG 4.13Å; L29-P31 WeakPolarHBondContact O-CD 3.29Å | ||
| 30 | W | 45.7 | Very low | 41.6 | Very low | 228 Ų | 228 | 149.4 Ų | 149.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -95.5 | 88.6 | 156.7 | 55.5 | -75 | 0 | 0 | 0 | 109.6 | ||||
| 31 | P | 40.7 | Very low | 41.9 | Very low | 95 Ų | 95 | 152.9 Ų | 152.9 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | trans | -110.8 | 66.9 | 166.9 | 38.6 | -30.8 | 0 | 0 | 0 | 110.4 | L29 | L29-P31 HydrophobicContact CD2-CG 3.97Å; L29-P31 HydrophobicContact CG-CG 4.13Å; L29-P31 WeakPolarHBondContact O-CD 3.29Å | ||
| 32 | T | 52.6 | Low | 42.3 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -141.2 | 67.9 | 154.1 | 40.3 | 0 | 0 | 0 | 0 | 109.6 | R34 | T32-R34 VanDerWaalsContact C-N 3.3Å; T32-R34 PolarHBondContact O-N 3.49Å; T32-R34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | A | 42.1 | Very low | 42.3 | Very low | 91 Ų | 91 | 149.4 Ų | 149.4 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -64.9 | 96.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 34 | R | 50.4 | Low | 42.9 | Very low | 224 Ų | 224 | 145.2 Ų | 145.2 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -106.1 | 88 | 158.3 | -81.7 | -168.5 | 174.3 | 138.1 | -0.1 | 108.2 | T32 V36 | T32-R34 VanDerWaalsContact C-N 3.3Å; T32-R34 PolarHBondContact O-N 3.49Å; T32-R34 VanDerWaalsContact O-N 3.12Å; R34-V36 PolarHBondContact O-N 3.36Å | ||
| 35 | Q | 39 | Very low | 42.7 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | -40 | 111.6 | 154.5 | -178.9 | -179.9 | -9.4 | 0 | 0 | 110.2 | E37 | Q35-E37 HydrophobicContact CG-CG 4.18Å; Q35-E37 PolarHBondContact NE2-OE1 2.97Å; Q35-E37 PolarHBondContact NE2-OE2 2.97Å; Q35-E37 VanDerWaalsContact NE2-OE2 3.13Å | ||
| 36 | V | 45.6 | Very low | 43.1 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -122.9 | 95.9 | 153.3 | -178.2 | 0 | 0 | 0 | 0 | 105.1 | R34 D38 | R34-V36 PolarHBondContact O-N 3.36Å; V36-D38 PolarHBondContact O-N 3.16Å | ||
| 37 | E | 38.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 117.7 | 157.7 | -63.5 | 135.8 | 159.6 | 0 | 0 | 106.1 | Q35 | Q35-E37 HydrophobicContact CG-CG 4.18Å; Q35-E37 PolarHBondContact NE2-OE1 2.97Å; Q35-E37 PolarHBondContact NE2-OE2 2.97Å; Q35-E37 VanDerWaalsContact NE2-OE2 3.13Å | ||
| 38 | D | 39.7 | Very low | 43 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -131.1 | 127.2 | 151.1 | -148.4 | -32.9 | 0 | 0 | 0 | 108.5 | V36 | V36-D38 PolarHBondContact O-N 3.16Š| ||
| 39 | I | 38.1 | Very low | 42.7 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 59% | 0.585 | 76% | 0.761 | S | S | * | * | trans | -112.8 | 126.3 | -154.8 | -76.3 | 172.7 | 0 | 0 | 0 | 106.2 | ||||
| 40 | D | 39.3 | Very low | 42.8 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | 65 | 154.4 | 150.5 | -64.3 | -34.6 | 0 | 0 | 0 | 121.9 | ||||
| 41 | H | 47.5 | Very low | 42.8 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 94.3 | 74.9 | 154.7 | -46.9 | -63.5 | 0 | 0 | 0 | 118.2 | ||||
| 42 | A | 41.3 | Very low | 42.9 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -148.4 | 85.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L44 | A42-L44 PolarHBondContact O-N 2.76Š| ||
| 43 | L | 39.1 | Very low | 42.5 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -57.8 | 96.8 | 160.2 | -63.2 | 167.2 | 0 | 0 | 0 | 108.4 | ||||
| 44 | L | 48.5 | Very low | 42.7 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -160.2 | 130.3 | 162.7 | -94.8 | 129.2 | 0 | 0 | 0 | 112.4 | A42 | A42-L44 PolarHBondContact O-N 2.76Š| ||
| 45 | S | 44 | Very low | 42.1 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 69.6 | 97.2 | 156.4 | 57.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 46 | S | 38.1 | Very low | 42.5 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 63.1 | 117.2 | 120.2 | -54.3 | 0 | 0 | 0 | 0 | 119.9 | T48 | S46-T48 PolarHBondContact O-N 2.87Š| |||
| 47 | P | 39.1 | Very low | 42.5 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | trans | -75.2 | 98.1 | 174.4 | 31.6 | -31.4 | 0 | 0 | 0 | 109.5 | ||||
| 48 | T | 41.8 | Very low | 43.1 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -89.7 | 118.8 | 165.1 | -163.7 | 0 | 0 | 0 | 0 | 109.4 | S46 A50 | S46-T48 PolarHBondContact O-N 2.87Å; T48-A50 PolarHBondContact O-N 3.02Å | ||
| 49 | S | 40.6 | Very low | 43.6 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -61.7 | 96.2 | 173.4 | 164.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 50 | A | 46.5 | Very low | 44.3 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | trans | -154.3 | 103.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T48 | T48-A50 PolarHBondContact O-N 3.02Š| ||
| 51 | E | 46 | Very low | 45.7 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 71 | 123.8 | 149.1 | -54.6 | -177.7 | 121.9 | 0 | 0 | 117.5 | R53 | E51-R53 PolarHBondContact O-N 2.85Š| ||
| 52 | P | 44.1 | Very low | 47.3 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -67.7 | 87.5 | 163.7 | 27.9 | -27 | 0 | 0 | 0 | 107.3 | A54 | P52-A54 VanDerWaalsContact C-N 3.26Å; P52-A54 PolarHBondContact O-N 3.11Å | ||
| 53 | R | 44.2 | Very low | 49.6 | Very low | 224 Ų | 224 | 117.8 Ų | 117.8 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | trans | -60.7 | 103.4 | 157.6 | -172 | 177 | -175.9 | 114.5 | -1.7 | 104 | E51 T55 | E51-R53 PolarHBondContact O-N 2.85Å; R53-T55 PolarHBondContact O-N 2.84Å | ||
| 54 | A | 44.8 | Very low | 52.3 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | -52.2 | 95.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P52 T56 | P52-A54 VanDerWaalsContact C-N 3.26Å; P52-A54 PolarHBondContact O-N 3.11Å; A54-T56 PolarHBondContact O-N 2.86Å | ||
| 55 | T | 37.8 | Very low | 54.6 | Low | 121 Ų | 121 | 108.1 Ų | 108.1 | 74% | 0.742 | 69% | 0.686 | S | S | * | * | trans | -77.1 | 103.3 | 173.9 | 39.6 | 0 | 0 | 0 | 0 | 104.5 | R53 | R53-T55 PolarHBondContact O-N 2.84Š| ||
| 56 | T | 47.5 | Very low | 57.1 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 77% | 0.767 | 67% | 0.665 | S | S | * | * | trans | 158.9 | 73.7 | 153.1 | 41.4 | 0 | 0 | 0 | 0 | 106 | A54 A58 | A54-T56 PolarHBondContact O-N 2.86Å; T56-A58 PolarHBondContact O-N 2.95Å | ||
| 57 | S | 45.9 | Very low | 59.8 | Low | 123 Ų | 123 | 104.9 Ų | 104.9 | 86% | 0.86 | 65% | 0.652 | S | S | * | * | trans | -66.5 | 67.7 | 142 | -58.4 | 0 | 0 | 0 | 0 | 106.1 | S59 | S57-S59 PolarHBondContact O-N 2.91Š| ||
| 58 | A | 51.3 | Low | 62.3 | Low | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 63% | 0.634 | S | S | . | * | trans | -56.8 | 106.8 | 158 | 0 | 0 | 0 | 0 | 0 | 102.3 | T56 N60 | T56-A58 PolarHBondContact O-N 2.95Å; A58-N60 PolarHBondContact O-N 3.33Å | ||
| 59 | S | 49.8 | Very low | 64.6 | Low | 117 Ų | 117 | 101 Ų | 101 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -64.6 | 25.7 | -179.6 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | S57 G61 | S57-S59 PolarHBondContact O-N 2.91Å; S59-G61 PolarHBondContact O-N 2.89Å; S59-G61 VanDerWaalsContact O-N 3.14Å | ||
| 60 | N | 54.1 | Low | 67.1 | Low | 132 Ų | 132 | 103.4 Ų | 103.4 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | trans | -64.5 | 108.8 | 166.5 | -63 | -4 | 0 | 0 | 0 | 105 | A58 V62 | A58-N60 PolarHBondContact O-N 3.33Å; N60-V62 PolarHBondContact O-N 3.23Å; N60-V62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | G | 68.7 | Low | 69.4 | Low | 53 Ų | 53 | 103.1 Ų | 103.1 | 55% | 0.546 | 60% | 0.599 | S | S | . | * | trans | -42.7 | 124.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S59 S63 | S59-G61 PolarHBondContact O-N 2.89Å; S59-G61 VanDerWaalsContact O-N 3.14Å; G61-S63 PolarHBondContact O-N 2.97Å; G61-S63 VanDerWaalsContact O-N 3.16Å | ||
| 62 | V | 80.5 | Confident | 71.8 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | trans | -62.4 | 124.6 | -174.2 | 56.2 | 0 | 0 | 0 | 0 | 108.5 | N60 D77 L139 | N60-V62 PolarHBondContact O-N 3.23Å; N60-V62 VanDerWaalsContact O-N 3.16Å; V62-D77 HydrophobicContact CG1-CB 3.74Å; V62-D77 PolarHBondContact O-N 3.29Å; V62-L139 HydrophobicContact CG1-CD1 4.4Å; V62-L139 HydrophobicContact CG1-CD2 3.28Å; V62-L139 HydrophobicContact CG1-CG 4.48Å | ||
| 63 | S | 89.6 | Confident | 74.3 | Confident | 58 Ų | 58 | 90 Ų | 90 | 41% | 0.406 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 136.2 | 168.9 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | G61 T75 R117 | G61-S63 PolarHBondContact O-N 2.97Å; G61-S63 VanDerWaalsContact O-N 3.16Å; S63-T75 CarbonylContact C-O 3.54Å; S63-T75 VanDerWaalsContact CA-O 3.22Å; S63-T75 WeakPolarHBondContact CA-O 3.47Å; S63-R117 PolarHBondContact OG-NH1 2.87Å; S63-R117 PolarHBondContact OG-NH2 3.5Å |
| 64 | S | 95.2 | Very high | 76.9 | Confident | 59 Ų | 59 | 79.4 Ų | 79.4 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.5 | -176.5 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | T75 | S64-T75 PolarHBondContact N-O 2.89Å; S64-T75 PolarHBondContact O-N 2.85Å |
| 65 | V | 96.6 | Very high | 79.4 | Confident | 61 Ų | 61 | 75.9 Ų | 75.9 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.6 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | F72 Q73 D74 Y119 | V65-F72 HydrophobicContact CG1-CE2 3.84Å; V65-F72 HydrophobicContact CG1-CZ 4.21Å; V65-Q73 CarbonylContact C-O 3.58Å; V65-Q73 WeakPolarHBondContact CA-O 3.22Å; V65-D74 WeakPolarHBondContact CG2-OD1 3.26Å; V65-Y119 HydrophobicContact CG2-CE1 3.72Å; V65-Y119 WeakPolarHBondContact CG2-OH 3.44Å |
| 66 | I | 96.5 | Very high | 82.2 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 28% | 0.277 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.6 | 172.7 | -58.7 | 171.5 | 0 | 0 | 0 | 107.2 | D68 F72 Q73 | I66-D68 WeakPolarHBondContact CG2-OD2 3.07Å; I66-F72 CarbonylContact O-C 3.56Å; I66-F72 WeakPolarHBondContact O-CA 3.46Å; I66-Q73 HydrophobicContact CB-CB 4.26Å; I66-Q73 PolarHBondContact N-O 2.82Å; I66-Q73 PolarHBondContact O-N 2.82Å |
| 67 | N | 94.8 | Very high | 84.6 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 69.2 | -178.5 | -174.9 | 15.3 | 0 | 0 | 0 | 110.1 | F72 P122 K146 | N67-F72 HydrophobicContact CB-CD2 4.27Å; N67-P122 WeakPolarHBondContact OD1-CG 3.24Å; N67-K146 WeakPolarHBondContact OD1-CE 3.17Å; N67-K146 PolarHBondContact OD1-NZ 3.07Å |
| 68 | D | 92.1 | Very high | 87 | Confident | 97 Ų | 97 | 62 Ų | 62 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | trans | -98 | 172.7 | -176 | -58.5 | -15.8 | 0 | 0 | 0 | 110.5 | I66 K70 K71 K146 | I66-D68 WeakPolarHBondContact CG2-OD2 3.07Å; D68-K70 PolarHBondContact O-N 2.6Å; D68-K71 PolarHBondContact N-O 2.77Å; D68-K71 VanDerWaalsContact N-O 3.11Å; D68-K71 PolarHBondContact O-N 2.78Å; D68-K146 VanDerWaalsContact O-CD 3.24Å; D68-K146 WeakPolarHBondContact O-CD 3.46Å; D68-K146 WeakPolarHBondContact O-CE 3.33Å; D68-K146 PolarHBondContact O-NZ 2.74Å | ||
| 69 | D | 90 | Very high | 89.1 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -51.4 | -24.6 | 175.5 | -77.8 | -12.4 | 0 | 0 | 0 | 115.2 | P150 | D69-P150 HydrophobicContact CB-CB 4.01Å; D69-P150 HydrophobicContact CB-CG 3.41Å; D69-P150 VanDerWaalsContact CB-CG 3.41Å; D69-P150 WeakPolarHBondContact OD1-CB 3.24Å |
| 70 | K | 92.3 | Very high | 91.2 | Very high | 174 Ų | 174 | 63 Ų | 63 | 76% | 0.757 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -98 | -35.4 | -174.7 | -61.8 | 178.3 | -177 | 175.8 | 0 | 114 | D68 K146 | D68-K70 PolarHBondContact O-N 2.6Å; K70-K146 PolarHBondContact O-N 3.48Å |
| 71 | K | 94.8 | Very high | 93.2 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 159.1 | -170.7 | 70.9 | 177.9 | -164.8 | 163.3 | 0 | 112.5 | D68 E143 A144 | D68-K71 PolarHBondContact N-O 2.77Å; D68-K71 VanDerWaalsContact N-O 3.11Å; D68-K71 PolarHBondContact O-N 2.78Å; K71-E143 IonicContact NZ-OE2 2.95Å; K71-E143 PolarHBondContact NZ-OE2 2.75Å; K71-A144 WeakPolarHBondContact CA-O 3.44Å; K71-A144 WeakPolarHBondContact CB-O 3.13Å |
| 72 | F | 96.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.5 | 162.4 | 177.8 | -90.9 | 0 | 0 | 0 | 107.9 | V65 I66 N67 D74 L95 Y119 L121 P122 I125 F130 E143 A144 | V65-F72 HydrophobicContact CG1-CE2 3.84Å; V65-F72 HydrophobicContact CG1-CZ 4.21Å; I66-F72 CarbonylContact O-C 3.56Å; I66-F72 WeakPolarHBondContact O-CA 3.46Å; N67-F72 HydrophobicContact CB-CD2 4.27Å; F72-D74 HydrophobicContact CE1-CB 4.35Å; F72-L95 HydrophobicContact CE1-CD2 3.82Å; F72-Y119 HydrophobicContact CZ-CG 4.44Å; F72-L121 HydrophobicContact CE1-CD2 4.39Å; F72-P122 HydrophobicContact CB-CG 3.99Å; F72-P122 HydrophobicContact CD2-CG 3.87Å; F72-P122 HydrophobicContact CG-CG 4.2Å; F72-I125 HydrophobicContact CB-CD1 3.83Å; F72-I125 HydrophobicContact CB-CG1 4.27Å; F72-F130 AromaticContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CZ 4.06Å; F72-F130 HydrophobicContact CE1-CE1 4.4Å; F72-E143 CarbonylContact O-C 3.56Å; F72-E143 VanDerWaalsContact O-CA 3.24Å; F72-E143 WeakPolarHBondContact O-CA 3.37Å; F72-A144 PolarHBondContact N-O 2.83Å; F72-A144 PolarHBondContact O-N 2.81Å |
| 73 | Q | 98 | Very high | 95.3 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.4 | 174.8 | 173.5 | -174.7 | -29.3 | 0 | 0 | 109.4 | V65 I66 T75 T141 I142 E143 | V65-Q73 CarbonylContact C-O 3.58Å; V65-Q73 WeakPolarHBondContact CA-O 3.22Å; I66-Q73 HydrophobicContact CB-CB 4.26Å; I66-Q73 PolarHBondContact N-O 2.82Å; I66-Q73 PolarHBondContact O-N 2.82Å; Q73-T75 PolarHBondContact NE2-OG1 2.81Å; Q73-T141 HydrophobicContact CG-CG2 3.72Å; Q73-I142 CarbonylContact C-O 3.55Å; Q73-I142 VanDerWaalsContact CA-O 3.27Å; Q73-I142 WeakPolarHBondContact CA-O 3.4Å; Q73-E143 HydrophobicContact CB-CB 3.81Å; Q73-E143 HydrophobicContact CG-CB 3.99Å; Q73-E143 PolarHBondContact OE1-OE2 3.39Å |
| 74 | D | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.4 | 169 | -179.5 | 45.3 | 0 | 0 | 0 | 109.3 | V65 F72 L76 I97 Y119 T141 I142 | V65-D74 WeakPolarHBondContact CG2-OD1 3.26Å; F72-D74 HydrophobicContact CE1-CB 4.35Å; D74-L76 WeakPolarHBondContact OD2-CD1 3.21Å; D74-L76 VanDerWaalsContact OD2-CG 3.31Å; D74-L76 WeakPolarHBondContact OD2-CG 3.41Å; D74-I97 WeakPolarHBondContact OD2-CD1 3.38Å; D74-Y119 HydrophobicContact CB-CE2 4.26Å; D74-Y119 VanDerWaalsContact CG-CE2 3.46Å; D74-Y119 VanDerWaalsContact CG-OH 3.28Å; D74-Y119 PolarHBondContact OD1-OH 3.36Å; D74-Y119 WeakPolarHBondContact OD2-CE2 3.24Å; D74-T141 CarbonylContact O-C 3.6Å; D74-T141 WeakPolarHBondContact O-CA 3.32Å; D74-I142 PolarHBondContact N-O 3.15Å; D74-I142 PolarHBondContact O-N 3.05Å |
| 75 | T | 97.8 | Very high | 95.8 | Very high | 20 Ų | 20 | 65.7 Ų | 65.7 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.5 | 175.4 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | S63 S64 Q73 L139 L140 T141 | S63-T75 CarbonylContact C-O 3.54Å; S63-T75 VanDerWaalsContact CA-O 3.22Å; S63-T75 WeakPolarHBondContact CA-O 3.47Å; S64-T75 PolarHBondContact N-O 2.89Å; S64-T75 PolarHBondContact O-N 2.85Å; Q73-T75 PolarHBondContact NE2-OG1 2.81Å; T75-L139 HydrophobicContact CG2-CB 4.34Å; T75-L140 CarbonylContact C-O 3.5Å; T75-L140 VanDerWaalsContact CA-O 3.23Å; T75-L140 WeakPolarHBondContact CA-O 3.03Å; T75-T141 PolarHBondContact OG1-OG1 3.33Å |
| 76 | L | 97.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.7 | -175.4 | -59.8 | -177.9 | 0 | 0 | 0 | 111.8 | D74 V78 I97 R117 L139 L140 | D74-L76 WeakPolarHBondContact OD2-CD1 3.21Å; D74-L76 VanDerWaalsContact OD2-CG 3.31Å; D74-L76 WeakPolarHBondContact OD2-CG 3.41Å; L76-V78 HydrophobicContact CB-CG1 4.21Å; L76-V78 PolarHBondContact O-N 2.7Å; L76-I97 HydrophobicContact CD1-CB 4.44Å; L76-I97 HydrophobicContact CD1-CD1 3.5Å; L76-I97 HydrophobicContact CD1-CG2 4.15Å; L76-R117 VanDerWaalsContact CD2-CZ 3.41Å; L76-L139 CarbonylContact O-C 3.58Å; L76-L139 WeakPolarHBondContact O-CA 3.42Å; L76-L140 PolarHBondContact N-O 2.74Å; L76-L140 PolarHBondContact O-N 3.18Å |
| 77 | D | 96.7 | Very high | 96 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 113.3 | 163.7 | -166.2 | -16.8 | 0 | 0 | 0 | 110.9 | V62 T79 L139 | V62-D77 HydrophobicContact CG1-CB 3.74Å; V62-D77 PolarHBondContact O-N 3.29Å; D77-T79 VanDerWaalsContact OD1-CB 3.26Å; D77-T79 WeakPolarHBondContact OD1-CB 3.24Å; D77-T79 PolarHBondContact OD1-N 3Å; D77-T79 PolarHBondContact OD1-OG1 3.29Å; D77-L139 HydrophobicContact CB-CD2 4.01Å |
| 78 | V | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | trans | -123.9 | 27.3 | 176.4 | -62 | 0 | 0 | 0 | 0 | 111 | L76 H80 F81 L86 F115 L134 G138 L140 | L76-V78 HydrophobicContact CB-CG1 4.21Å; L76-V78 PolarHBondContact O-N 2.7Å; V78-H80 PolarHBondContact O-N 3.37Å; V78-F81 HydrophobicContact CB-CD2 4.33Å; V78-F81 PolarHBondContact O-N 3.47Å; V78-L86 HydrophobicContact CB-CD1 4.11Å; V78-L86 HydrophobicContact CB-CD2 4.28Å; V78-L86 HydrophobicContact CG1-CD1 4.49Å; V78-L86 HydrophobicContact CG1-CD2 4.19Å; V78-L86 HydrophobicContact CG2-CD1 3.76Å; V78-F115 HydrophobicContact CG1-CE1 4.27Å; V78-F115 HydrophobicContact CG1-CZ 3.95Å; V78-L134 HydrophobicContact CG2-CD1 3.65Å; V78-L134 HydrophobicContact CG2-CD2 4.37Å; V78-G138 VanDerWaalsContact CG2-O 3.24Å; V78-G138 WeakPolarHBondContact CG2-O 3.39Å; V78-G138 PolarHBondContact N-O 3.49Å; V78-L140 HydrophobicContact CG1-CB 4.26Å; V78-L140 HydrophobicContact CG1-CD2 4.38Å; V78-L140 HydrophobicContact CG2-CB 3.64Å | ||
| 79 | T | 95.2 | Very high | 96.4 | Very high | 81 Ų | 81 | 63.6 Ų | 63.6 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.4 | -175.7 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | D77 F81 | D77-T79 VanDerWaalsContact OD1-CB 3.26Å; D77-T79 WeakPolarHBondContact OD1-CB 3.24Å; D77-T79 PolarHBondContact OD1-N 3Å; D77-T79 PolarHBondContact OD1-OG1 3.29Å; T79-F81 VanDerWaalsContact C-N 3.32Å; T79-F81 PolarHBondContact O-N 2.8Å |
| 80 | H | 93.6 | Very high | 96.7 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 53% | 0.532 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3 | 178.9 | -57.2 | -54.4 | 0 | 0 | 0 | 114.8 | V78 | V78-H80 PolarHBondContact O-N 3.37Š|
| 81 | F | 96.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -122.5 | 141.8 | -177 | -62.3 | -90.9 | 0 | 0 | 0 | 110.9 | V78 T79 E85 L86 H101 R113 F115 | V78-F81 HydrophobicContact CB-CD2 4.33Å; V78-F81 PolarHBondContact O-N 3.47Å; T79-F81 VanDerWaalsContact C-N 3.32Å; T79-F81 PolarHBondContact O-N 2.8Å; F81-E85 HydrophobicContact CB-CB 4.48Å; F81-E85 HydrophobicContact CD1-CB 4.49Å; F81-L86 HydrophobicContact CB-CD1 4.49Å; F81-L86 HydrophobicContact CB-CD2 3.8Å; F81-L86 HydrophobicContact CB-CG 4.1Å; F81-L86 HydrophobicContact CG-CD2 4.08Å; F81-H101 HydrophobicContact CD1-CB 4.01Å; F81-H101 HydrophobicContact CE1-CB 3.99Å; F81-R113 HydrophobicContact CE1-CB 3.85Å; F81-R113 HydrophobicContact CZ-CB 3.62Å; F81-F115 HydrophobicContact CD1-CE1 4.5Å; F81-F115 HydrophobicContact CD2-CD1 4.31Å; F81-F115 HydrophobicContact CD2-CE1 4.01Å; F81-F115 AromaticContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CE1 4.31Å; F81-F115 AromaticContact CE2-CD1 3.64Å; F81-F115 HydrophobicContact CE2-CD1 3.64Å; F81-F115 AromaticContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CG-CE1 4.36Å; F81-F115 AromaticContact CZ-CD1 3.47Å; F81-F115 HydrophobicContact CZ-CD1 3.47Å; F81-F115 VanDerWaalsContact CZ-CD1 3.47Å; F81-F115 AromaticContact CZ-CE1 3.98Å; F81-F115 HydrophobicContact CZ-CE1 3.98Å |
| 82 | K | 95.6 | Very high | 96.5 | Very high | 94 Ų | 94 | 63.5 Ų | 63.5 | 41% | 0.409 | 32% | 0.322 | S | S | . | . | trans | -77.2 | 154.6 | 169.7 | -57.8 | -176 | -162.8 | 100.4 | 0 | 109.8 | K84 E85 | K82-K84 HydrophobicContact CB-CG 4.12Å; K82-K84 PolarHBondContact O-N 2.82Å; K82-K84 VanDerWaalsContact O-N 3.09Å; K82-E85 HydrophobicContact CB-CB 4.46Å; K82-E85 HydrophobicContact CB-CG 4.04Å; K82-E85 WeakPolarHBondContact CD-OE1 3.2Å; K82-E85 WeakPolarHBondContact CG-OE1 3.36Å; K82-E85 PolarHBondContact N-OE2 2.82Å; K82-E85 IonicContact NZ-OE1 2.78Å; K82-E85 PolarHBondContact NZ-OE1 2.81Å; K82-E85 WeakPolarHBondContact O-CA 3.34Å; K82-E85 WeakPolarHBondContact O-CB 3.49Å; K82-E85 PolarHBondContact O-N 2.8Å | ||
| 83 | P | 97.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 69.4 Ų | 69.4 | 65% | 0.649 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -54.5 | -34.2 | 176.7 | -26.6 | 33.3 | 0 | 0 | 0 | 114.2 | E85 L86 L134 | P83-E85 VanDerWaalsContact C-N 3.27Å; P83-E85 PolarHBondContact O-N 2.96Å; P83-L86 PolarHBondContact O-N 3.31Å; P83-L134 HydrophobicContact CB-CD2 4.18Å; P83-L134 HydrophobicContact CG-CD2 3.93Å |
| 84 | K | 97.7 | Very high | 96.1 | Very high | 176 Ų | 176 | 68.4 Ų | 68.4 | 77% | 0.765 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -74.3 | -13.3 | 177.1 | 67.3 | 171.1 | -173.7 | 166.8 | 0 | 114.6 | K82 L86 | K82-K84 HydrophobicContact CB-CG 4.12Å; K82-K84 PolarHBondContact O-N 2.82Å; K82-K84 VanDerWaalsContact O-N 3.09Å; K84-L86 VanDerWaalsContact C-N 3.32Å |
| 85 | E | 97.9 | Very high | 96.1 | Very high | 27 Ų | 27 | 68.5 Ų | 68.5 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -92 | 0.5 | 179.1 | -68.8 | 166.6 | -169.5 | 0 | 0 | 110.8 | F81 K82 P83 G99 E100 H101 | F81-E85 HydrophobicContact CB-CB 4.48Å; F81-E85 HydrophobicContact CD1-CB 4.49Å; K82-E85 HydrophobicContact CB-CB 4.46Å; K82-E85 HydrophobicContact CB-CG 4.04Å; K82-E85 WeakPolarHBondContact CD-OE1 3.2Å; K82-E85 WeakPolarHBondContact CG-OE1 3.36Å; K82-E85 PolarHBondContact N-OE2 2.82Å; K82-E85 IonicContact NZ-OE1 2.78Å; K82-E85 PolarHBondContact NZ-OE1 2.81Å; K82-E85 WeakPolarHBondContact O-CA 3.34Å; K82-E85 WeakPolarHBondContact O-CB 3.49Å; K82-E85 PolarHBondContact O-N 2.8Å; P83-E85 VanDerWaalsContact C-N 3.27Å; P83-E85 PolarHBondContact O-N 2.96Å; E85-G99 CarbonylContact O-C 3.49Å; E85-G99 VanDerWaalsContact O-CA 3.24Å; E85-G99 WeakPolarHBondContact O-CA 3.38Å; E85-E100 VanDerWaalsContact CB-O 3.24Å; E85-E100 WeakPolarHBondContact CB-O 3.41Å; E85-E100 WeakPolarHBondContact CG-O 3.42Å; E85-E100 PolarHBondContact O-N 2.84Å; E85-H101 IonicContact OE1-CE1 2.81Å; E85-H101 IonicContact OE1-ND1 3.63Å; E85-H101 PolarHBondContact OE1-ND1 2.95Å; E85-H101 IonicContact OE2-CG 3.34Å; E85-H101 IonicContact OE2-ND1 3.96Å; E85-H101 PolarHBondContact OE2-ND1 3.38Å |
| 86 | L | 98.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.4 | -177.1 | -61.7 | 170.7 | 0 | 0 | 0 | 110.9 | V78 F81 P83 K84 H98 F115 L134 L140 | V78-L86 HydrophobicContact CB-CD1 4.11Å; V78-L86 HydrophobicContact CB-CD2 4.28Å; V78-L86 HydrophobicContact CG1-CD1 4.49Å; V78-L86 HydrophobicContact CG1-CD2 4.19Å; V78-L86 HydrophobicContact CG2-CD1 3.76Å; F81-L86 HydrophobicContact CB-CD1 4.49Å; F81-L86 HydrophobicContact CB-CD2 3.8Å; F81-L86 HydrophobicContact CB-CG 4.1Å; F81-L86 HydrophobicContact CG-CD2 4.08Å; P83-L86 PolarHBondContact O-N 3.31Å; K84-L86 VanDerWaalsContact C-N 3.32Å; L86-H98 CarbonylContact C-O 3.53Å; L86-H98 WeakPolarHBondContact CA-O 3.27Å; L86-F115 HydrophobicContact CD2-CE1 3.76Å; L86-F115 HydrophobicContact CD2-CZ 3.98Å; L86-L134 HydrophobicContact CD1-CD2 3.84Å; L86-L140 HydrophobicContact CD1-CD2 4.48Å |
| 87 | E | 98.5 | Very high | 96.1 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 51% | 0.514 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.2 | 176.4 | -175.2 | -176.1 | 178.4 | 0 | 0 | 109.7 | T89 I97 H98 | E87-T89 HydrophobicContact CG-CG2 4Å; E87-T89 WeakPolarHBondContact OE1-CG2 3.5Å; E87-I97 CarbonylContact O-C 3.54Å; E87-I97 WeakPolarHBondContact O-CA 3.44Å; E87-H98 HydrophobicContact CB-CB 4.33Å; E87-H98 PolarHBondContact N-O 2.81Å; E87-H98 PolarHBondContact O-N 3Å |
| 88 | I | 98.1 | Very high | 96.2 | Very high | 62 Ų | 62 | 66.9 Ų | 66.9 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.8 | 177.6 | -57.3 | 162 | 0 | 0 | 0 | 107.7 | L95 I96 I97 L140 I142 | I88-L95 HydrophobicContact CG2-CD1 3.62Å; I88-I96 WeakPolarHBondContact CA-O 3.42Å; I88-I97 HydrophobicContact CG1-CG2 4.4Å; I88-L140 HydrophobicContact CD1-CD1 4.31Å; I88-L140 HydrophobicContact CD1-CD2 4.23Å; I88-I142 HydrophobicContact CD1-CD1 3.58Å; I88-I142 HydrophobicContact CD1-CG1 3.8Å; I88-I142 HydrophobicContact CG1-CD1 3.88Å; I88-I142 HydrophobicContact CG2-CD1 4.04Å |
| 89 | T | 97.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 66.7 Ų | 66.7 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.7 | 179.7 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | E87 I96 | E87-T89 HydrophobicContact CG-CG2 4Å; E87-T89 WeakPolarHBondContact OE1-CG2 3.5Å; T89-I96 PolarHBondContact N-O 3.26Å; T89-I96 PolarHBondContact O-N 3.16Å |
| 90 | T | 95.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 67.1 Ų | 67.1 | 36% | 0.362 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.5 | 169.8 | 52.3 | 0 | 0 | 0 | 0 | 109 | G94 L95 L121 P127 F130 | T90-G94 CarbonylContact C-O 3.54Å; T90-G94 WeakPolarHBondContact CA-O 3.38Å; T90-L95 HydrophobicContact CG2-CD1 3.96Å; T90-L121 HydrophobicContact CG2-CD1 4.39Å; T90-P127 HydrophobicContact CG2-CB 4.26Å; T90-P127 WeakPolarHBondContact OG1-CB 3.36Å; T90-F130 HydrophobicContact CG2-CD2 3.95Å; T90-F130 HydrophobicContact CG2-CE2 4.08Å |
| 91 | K | 93.1 | Very high | 96.5 | Very high | 138 Ų | 138 | 62.4 Ų | 62.4 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 136.5 | -177.4 | -174.3 | 178.6 | 178.7 | -177.6 | 0 | 110.1 | D93 G94 I96 | K91-D93 PolarHBondContact O-N 3.16Å; K91-G94 PolarHBondContact N-O 3.24Å; K91-G94 WeakPolarHBondContact O-CA 3.19Å; K91-G94 PolarHBondContact O-N 2.83Å; K91-I96 HydrophobicContact CB-CD1 4.35Å |
| 92 | N | 91.3 | Very high | 96.5 | Very high | 129 Ų | 129 | 67.7 Ų | 67.7 | 69% | 0.69 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 51.4 | 174.7 | -60 | -12.9 | 0 | 0 | 0 | 113.6 | G94 | N92-G94 PolarHBondContact O-N 2.97Å; N92-G94 VanDerWaalsContact O-N 3.15Å |
| 93 | D | 90.8 | Very high | 96.4 | Very high | 129 Ų | 129 | 69.2 Ų | 69.2 | 69% | 0.69 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 23.4 | -175.1 | -55.6 | -51.3 | 0 | 0 | 0 | 114.2 | K91 L121 | K91-D93 PolarHBondContact O-N 3.16Å; D93-L121 VanDerWaalsContact O-CB 3.26Å; D93-L121 WeakPolarHBondContact O-CB 3.17Å; D93-L121 PolarHBondContact O-N 3.16Å |
| 94 | G | 94.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 9% | 0.093 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T90 K91 N92 Y119 | T90-G94 CarbonylContact C-O 3.54Å; T90-G94 WeakPolarHBondContact CA-O 3.38Å; K91-G94 PolarHBondContact N-O 3.24Å; K91-G94 WeakPolarHBondContact O-CA 3.19Å; K91-G94 PolarHBondContact O-N 2.83Å; N92-G94 PolarHBondContact O-N 2.97Å; N92-G94 VanDerWaalsContact O-N 3.15Å; G94-Y119 CarbonylContact C-O 3.48Å; G94-Y119 WeakPolarHBondContact CA-O 3.26Å |
| 95 | L | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.8 | 163.8 | 175.3 | 67.6 | 0 | 0 | 0 | 108 | F72 I88 T90 I97 A118 Y119 L121 F130 I142 | F72-L95 HydrophobicContact CE1-CD2 3.82Å; I88-L95 HydrophobicContact CG2-CD1 3.62Å; T90-L95 HydrophobicContact CG2-CD1 3.96Å; L95-I97 HydrophobicContact CD2-CD1 4.34Å; L95-I97 HydrophobicContact CG-CG1 4.36Å; L95-A118 CarbonylContact O-C 3.6Å; L95-A118 WeakPolarHBondContact O-CA 3.45Å; L95-Y119 HydrophobicContact CD2-CD2 4.45Å; L95-Y119 PolarHBondContact N-O 3.4Å; L95-Y119 PolarHBondContact O-N 3.13Å; L95-L121 HydrophobicContact CB-CD2 3.73Å; L95-L121 HydrophobicContact CB-CG 4.32Å; L95-F130 HydrophobicContact CD2-CE1 4.47Å; L95-I142 HydrophobicContact CD1-CG2 4.29Å; L95-I142 HydrophobicContact CD2-CG2 3.99Å |
| 96 | I | 97.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.5 | -179.1 | -54.6 | 166.7 | 0 | 0 | 0 | 107.9 | I88 T89 K91 T116 R117 A118 | I88-I96 WeakPolarHBondContact CA-O 3.42Å; T89-I96 PolarHBondContact N-O 3.26Å; T89-I96 PolarHBondContact O-N 3.16Å; K91-I96 HydrophobicContact CB-CD1 4.35Å; I96-T116 HydrophobicContact CG2-CG2 3.9Å; I96-R117 CarbonylContact C-O 3.48Å; I96-R117 WeakPolarHBondContact CA-O 3.26Å; I96-A118 HydrophobicContact CG1-CB 4.07Å |
| 97 | I | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.8 | -179.4 | -54.8 | 157.6 | 0 | 0 | 0 | 105.9 | D74 L76 E87 I88 L95 F115 T116 R117 Y119 L140 I142 | D74-I97 WeakPolarHBondContact OD2-CD1 3.38Å; L76-I97 HydrophobicContact CD1-CB 4.44Å; L76-I97 HydrophobicContact CD1-CD1 3.5Å; L76-I97 HydrophobicContact CD1-CG2 4.15Å; E87-I97 CarbonylContact O-C 3.54Å; E87-I97 WeakPolarHBondContact O-CA 3.44Å; I88-I97 HydrophobicContact CG1-CG2 4.4Å; L95-I97 HydrophobicContact CD2-CD1 4.34Å; L95-I97 HydrophobicContact CG-CG1 4.36Å; I97-F115 HydrophobicContact CB-CE2 4.43Å; I97-F115 HydrophobicContact CG2-CE2 3.86Å; I97-F115 HydrophobicContact CG2-CZ 3.93Å; I97-T116 CarbonylContact O-C 3.5Å; I97-T116 WeakPolarHBondContact O-CA 3.23Å; I97-R117 PolarHBondContact N-O 3Å; I97-R117 PolarHBondContact O-N 2.6Å; I97-Y119 HydrophobicContact CD1-CE2 4.23Å; I97-L140 HydrophobicContact CG2-CD2 4.24Å; I97-I142 HydrophobicContact CD1-CD1 3.39Å; I97-I142 HydrophobicContact CG1-CD1 3.57Å |
| 98 | H | 98.3 | Very high | 94.8 | Very high | 33 Ų | 33 | 78.4 Ų | 78.4 | 15% | 0.153 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.8 | 178.9 | -177.7 | -100.6 | 0 | 0 | 0 | 108.9 | L86 E87 E100 F115 T116 | L86-H98 CarbonylContact C-O 3.53Å; L86-H98 WeakPolarHBondContact CA-O 3.27Å; E87-H98 HydrophobicContact CB-CB 4.33Å; E87-H98 PolarHBondContact N-O 2.81Å; E87-H98 PolarHBondContact O-N 3Å; H98-E100 IonicContact CE1-OE2 3.76Å; H98-F115 WeakPolarHBondContact CA-O 3.33Å; H98-F115 PolarHBondContact CD2-O 2.96Å; H98-T116 PolarHBondContact CD2-OG1 3.32Å |
| 99 | G | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E85 V114 F115 | E85-G99 CarbonylContact O-C 3.49Å; E85-G99 VanDerWaalsContact O-CA 3.24Å; E85-G99 WeakPolarHBondContact O-CA 3.38Å; G99-V114 CarbonylContact O-C 3.6Å; G99-V114 VanDerWaalsContact O-CA 3.26Å; G99-V114 WeakPolarHBondContact O-CA 3.46Å; G99-F115 PolarHBondContact N-O 2.84Å; G99-F115 PolarHBondContact O-N 2.99Å |
| 100 | E | 98.2 | Very high | 94.5 | Very high | 90 Ų | 90 | 81.1 Ų | 81.1 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 110.5 | -178 | 178 | 165.1 | -159.9 | 0 | 0 | 110.4 | E85 H98 V114 | E85-E100 VanDerWaalsContact CB-O 3.24Å; E85-E100 WeakPolarHBondContact CB-O 3.41Å; E85-E100 WeakPolarHBondContact CG-O 3.42Å; E85-E100 PolarHBondContact O-N 2.84Å; H98-E100 IonicContact CE1-OE2 3.76Å; E100-V114 HydrophobicContact CG-CG2 4.12Å |
| 101 | H | 97.2 | Very high | 94.5 | Very high | 17 Ų | 17 | 80.3 Ų | 80.3 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.4 | 169.8 | -176.8 | 84.3 | 0 | 0 | 0 | 108 | F81 E85 N104 M112 R113 | F81-H101 HydrophobicContact CD1-CB 4.01Å; F81-H101 HydrophobicContact CE1-CB 3.99Å; E85-H101 IonicContact OE1-CE1 2.81Å; E85-H101 IonicContact OE1-ND1 3.63Å; E85-H101 PolarHBondContact OE1-ND1 2.95Å; E85-H101 IonicContact OE2-CG 3.34Å; E85-H101 IonicContact OE2-ND1 3.96Å; E85-H101 PolarHBondContact OE2-ND1 3.38Å; H101-N104 PolarHBondContact CE1-ND2 2.85Å; H101-N104 VanDerWaalsContact CE1-ND2 3.33Å; H101-N104 PolarHBondContact NE2-ND2 3.35Å; H101-N104 VanDerWaalsContact NE2-ND2 3.18Å; H101-M112 WeakPolarHBondContact O-CA 3.22Å; H101-M112 WeakPolarHBondContact O-CG 3.14Å; H101-R113 HydrophobicContact CB-CB 4.1Å; H101-R113 PolarHBondContact N-O 2.98Å; H101-R113 PolarHBondContact O-N 2.77Å |
| 102 | E | 94.5 | Very high | 94.6 | Very high | 141 Ų | 141 | 78.8 Ų | 78.8 | 66% | 0.659 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 159.3 | 173.5 | -65.4 | -179.1 | 170.4 | 0 | 0 | 111.6 | N104 | E102-N104 PolarHBondContact O-N 2.89Å; E102-N104 VanDerWaalsContact O-N 3.15Å; E102-N104 PolarHBondContact O-ND2 2.82Å |
| 103 | E | 94.6 | Very high | 94.8 | Very high | 126 Ų | 126 | 76.3 Ų | 76.3 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 118.7 | 178 | -170.8 | -178.3 | 75.9 | 0 | 0 | 111.4 | Y110 I111 M112 | E103-Y110 HydrophobicContact CG-CD1 3.96Å; E103-Y110 HydrophobicContact CG-CG 4.22Å; E103-I111 CarbonylContact C-O 3.52Å; E103-I111 VanDerWaalsContact CA-O 3.32Å; E103-I111 WeakPolarHBondContact CA-O 3.19Å; E103-M112 HydrophobicContact CB-CB 4.25Å |
| 104 | N | 91 | Very high | 95.1 | Very high | 66 Ų | 66 | 74 Ų | 74 | 35% | 0.353 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.8 | 175.7 | -73.3 | -72.2 | 0 | 0 | 0 | 110.4 | H101 E102 Y110 I111 | H101-N104 PolarHBondContact CE1-ND2 2.85Å; H101-N104 VanDerWaalsContact CE1-ND2 3.33Å; H101-N104 PolarHBondContact NE2-ND2 3.35Å; H101-N104 VanDerWaalsContact NE2-ND2 3.18Å; E102-N104 PolarHBondContact O-N 2.89Å; E102-N104 VanDerWaalsContact O-N 3.15Å; E102-N104 PolarHBondContact O-ND2 2.82Å; N104-Y110 CarbonylContact O-C 3.56Å; N104-Y110 WeakPolarHBondContact O-CA 3.4Å; N104-I111 PolarHBondContact N-O 2.79Å; N104-I111 PolarHBondContact O-N 2.92Å |
| 105 | K | 92.7 | Very high | 95.2 | Very high | 160 Ų | 160 | 75.8 Ų | 75.8 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 135.7 | 172.5 | -71.8 | -178.9 | 176.2 | -178.5 | 0 | 110.4 | G109 Y110 | K105-G109 CarbonylContact C-O 3.49Å; K105-G109 VanDerWaalsContact CA-O 3.28Å; K105-G109 WeakPolarHBondContact CA-O 3.33Å; K105-Y110 HydrophobicContact CD-CE1 4.02Å; K105-Y110 VanDerWaalsContact CE-CZ 3.41Å; K105-Y110 WeakPolarHBondContact CE-OH 3.31Å; K105-Y110 HydrophobicContact CG-CD1 3.61Å; K105-Y110 HydrophobicContact CG-CE1 3.32Å; K105-Y110 HydrophobicContact CG-CG 4.44Å |
| 106 | D | 87.7 | Confident | 95.2 | Very high | 67 Ų | 67 | 79.1 Ų | 79.1 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -175.4 | 168.4 | 70.5 | 13.7 | 0 | 0 | 0 | 110.6 | H108 G109 I111 | D106-H108 PolarHBondContact O-N 3.43Å; D106-H108 VanDerWaalsContact O-N 3.12Å; D106-H108 PolarHBondContact OD1-N 3.44Å; D106-G109 PolarHBondContact N-O 3.14Å; D106-G109 PolarHBondContact OD1-N 2.72Å; D106-I111 HydrophobicContact CB-CG2 4.35Å |
| 107 | D | 92.6 | Very high | 95.1 | Very high | 158 Ų | 158 | 81.6 Ų | 81.6 | 85% | 0.845 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.6 | -177.2 | -66.4 | -23.9 | 0 | 0 | 0 | 113.5 | ||
| 108 | H | 92.5 | Very high | 95 | Very high | 185 Ų | 185 | 83.1 Ų | 83.1 | 86% | 0.856 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -4.3 | -172.4 | -60.9 | -62.5 | 0 | 0 | 0 | 113.9 | D106 | D106-H108 PolarHBondContact O-N 3.43Å; D106-H108 VanDerWaalsContact O-N 3.12Å; D106-H108 PolarHBondContact OD1-N 3.44Å |
| 109 | G | 94.6 | Very high | 94.8 | Very high | 32 Ų | 32 | 83.5 Ų | 83.5 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.4 | -128 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K105 D106 | K105-G109 CarbonylContact C-O 3.49Å; K105-G109 VanDerWaalsContact CA-O 3.28Å; K105-G109 WeakPolarHBondContact CA-O 3.33Å; D106-G109 PolarHBondContact N-O 3.14Å; D106-G109 PolarHBondContact OD1-N 2.72Å |
| 110 | Y | 94.7 | Very high | 94.7 | Very high | 138 Ų | 138 | 92.6 Ų | 92.6 | 54% | 0.541 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.6 | 178.8 | -63.4 | -95.5 | 0 | 0 | 0 | 109.4 | E103 N104 K105 | E103-Y110 HydrophobicContact CG-CD1 3.96Å; E103-Y110 HydrophobicContact CG-CG 4.22Å; N104-Y110 CarbonylContact O-C 3.56Å; N104-Y110 WeakPolarHBondContact O-CA 3.4Å; K105-Y110 HydrophobicContact CD-CE1 4.02Å; K105-Y110 VanDerWaalsContact CE-CZ 3.41Å; K105-Y110 WeakPolarHBondContact CE-OH 3.31Å; K105-Y110 HydrophobicContact CG-CD1 3.61Å; K105-Y110 HydrophobicContact CG-CE1 3.32Å; K105-Y110 HydrophobicContact CG-CG 4.44Å |
| 111 | I | 94.8 | Very high | 94.6 | Very high | 43 Ų | 43 | 89.5 Ų | 89.5 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.2 | -179.6 | -160.1 | 152 | 0 | 0 | 0 | 111.7 | E103 N104 D106 R113 | E103-I111 CarbonylContact C-O 3.52Å; E103-I111 VanDerWaalsContact CA-O 3.32Å; E103-I111 WeakPolarHBondContact CA-O 3.19Å; N104-I111 PolarHBondContact N-O 2.79Å; N104-I111 PolarHBondContact O-N 2.92Å; D106-I111 HydrophobicContact CB-CG2 4.35Å; I111-R113 VanDerWaalsContact CD1-NH1 3.3Å |
| 112 | M | 95.8 | Very high | 94.3 | Very high | 106 Ų | 106 | 89.8 Ų | 89.8 | 52% | 0.522 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.4 | 174.5 | -173.1 | -177 | 179.5 | 0 | 0 | 108 | H101 E103 V114 | H101-M112 WeakPolarHBondContact O-CA 3.22Å; H101-M112 WeakPolarHBondContact O-CG 3.14Å; E103-M112 HydrophobicContact CB-CB 4.25Å; M112-V114 HydrophobicContact CE-CG2 4Å |
| 113 | R | 95.5 | Very high | 94.2 | Very high | 76 Ų | 76 | 92.9 Ų | 92.9 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.4 | 177.1 | -59.1 | -179.8 | 174.7 | 85.4 | -5.2 | 110.1 | F81 H101 I111 | F81-R113 HydrophobicContact CE1-CB 3.85Å; F81-R113 HydrophobicContact CZ-CB 3.62Å; H101-R113 HydrophobicContact CB-CB 4.1Å; H101-R113 PolarHBondContact N-O 2.98Å; H101-R113 PolarHBondContact O-N 2.77Å; I111-R113 VanDerWaalsContact CD1-NH1 3.3Å |
| 114 | V | 97.3 | Very high | 94 | Very high | 80 Ų | 80 | 88.4 Ų | 88.4 | 49% | 0.485 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.1 | 171.6 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | G99 E100 M112 | G99-V114 CarbonylContact O-C 3.6Å; G99-V114 VanDerWaalsContact O-CA 3.26Å; G99-V114 WeakPolarHBondContact O-CA 3.46Å; E100-V114 HydrophobicContact CG-CG2 4.12Å; M112-V114 HydrophobicContact CE-CG2 4Å |
| 115 | F | 96.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 86.2 Ų | 86.2 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.1 | 169.8 | 83.7 | -86.9 | 0 | 0 | 0 | 111.8 | V78 F81 L86 I97 H98 G99 R117 | V78-F115 HydrophobicContact CG1-CE1 4.27Å; V78-F115 HydrophobicContact CG1-CZ 3.95Å; F81-F115 HydrophobicContact CD1-CE1 4.5Å; F81-F115 HydrophobicContact CD2-CD1 4.31Å; F81-F115 HydrophobicContact CD2-CE1 4.01Å; F81-F115 AromaticContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CE1 4.31Å; F81-F115 AromaticContact CE2-CD1 3.64Å; F81-F115 HydrophobicContact CE2-CD1 3.64Å; F81-F115 AromaticContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CG-CE1 4.36Å; F81-F115 AromaticContact CZ-CD1 3.47Å; F81-F115 HydrophobicContact CZ-CD1 3.47Å; F81-F115 VanDerWaalsContact CZ-CD1 3.47Å; F81-F115 AromaticContact CZ-CE1 3.98Å; F81-F115 HydrophobicContact CZ-CE1 3.98Å; L86-F115 HydrophobicContact CD2-CE1 3.76Å; L86-F115 HydrophobicContact CD2-CZ 3.98Å; I97-F115 HydrophobicContact CB-CE2 4.43Å; I97-F115 HydrophobicContact CG2-CE2 3.86Å; I97-F115 HydrophobicContact CG2-CZ 3.93Å; H98-F115 WeakPolarHBondContact CA-O 3.33Å; H98-F115 PolarHBondContact CD2-O 2.96Å; G99-F115 PolarHBondContact N-O 2.84Å; G99-F115 PolarHBondContact O-N 2.99Å; F115-R117 HydrophobicContact CD2-CB 4.38Å; F115-R117 HydrophobicContact CE2-CB 4.37Å |
| 116 | T | 96.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 82 Ų | 82 | 44% | 0.436 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 125.7 | 167 | -54.1 | 0 | 0 | 0 | 0 | 108.2 | F9 I96 I97 H98 | F9-T116 HydrophobicContact CZ-CG2 4.36Å; I96-T116 HydrophobicContact CG2-CG2 3.9Å; I97-T116 CarbonylContact O-C 3.5Å; I97-T116 WeakPolarHBondContact O-CA 3.23Å; H98-T116 PolarHBondContact CD2-OG1 3.32Å |
| 117 | R | 95.7 | Very high | 94.3 | Very high | 77 Ų | 77 | 81.7 Ų | 81.7 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.5 | 172.7 | -168.1 | 167.9 | -177.3 | 162.9 | -13.9 | 109.1 | S63 L76 I96 I97 F115 Y119 | S63-R117 PolarHBondContact OG-NH1 2.87Å; S63-R117 PolarHBondContact OG-NH2 3.5Å; L76-R117 VanDerWaalsContact CD2-CZ 3.41Å; I96-R117 CarbonylContact C-O 3.48Å; I96-R117 WeakPolarHBondContact CA-O 3.26Å; I97-R117 PolarHBondContact N-O 3Å; I97-R117 PolarHBondContact O-N 2.6Å; F115-R117 HydrophobicContact CD2-CB 4.38Å; F115-R117 HydrophobicContact CE2-CB 4.37Å; R117-Y119 HydrophobicContact CG-CE2 3.84Å; R117-Y119 PolarHBondContact NE-OH 2.95Å; R117-Y119 PolarHBondContact NH2-OH 2.91Å |
| 118 | A | 96.1 | Very high | 94.3 | Very high | 32 Ų | 32 | 82.8 Ų | 82.8 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | W12 L95 I96 | W12-A118 HydrophobicContact CH2-CB 3.69Å; W12-A118 HydrophobicContact CZ3-CB 3.85Å; L95-A118 CarbonylContact O-C 3.6Å; L95-A118 WeakPolarHBondContact O-CA 3.45Å; I96-A118 HydrophobicContact CG1-CB 4.07Å |
| 119 | Y | 95.8 | Very high | 94.4 | Very high | 42 Ų | 42 | 78 Ų | 78 | 17% | 0.165 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.1 | -178.7 | -62.2 | -78.7 | 0 | 0 | 0 | 111 | V65 F72 D74 G94 L95 I97 R117 | V65-Y119 HydrophobicContact CG2-CE1 3.72Å; V65-Y119 WeakPolarHBondContact CG2-OH 3.44Å; F72-Y119 HydrophobicContact CZ-CG 4.44Å; D74-Y119 HydrophobicContact CB-CE2 4.26Å; D74-Y119 VanDerWaalsContact CG-CE2 3.46Å; D74-Y119 VanDerWaalsContact CG-OH 3.28Å; D74-Y119 PolarHBondContact OD1-OH 3.36Å; D74-Y119 WeakPolarHBondContact OD2-CE2 3.24Å; G94-Y119 CarbonylContact C-O 3.48Å; G94-Y119 WeakPolarHBondContact CA-O 3.26Å; L95-Y119 HydrophobicContact CD2-CD2 4.45Å; L95-Y119 PolarHBondContact N-O 3.4Å; L95-Y119 PolarHBondContact O-N 3.13Å; I97-Y119 HydrophobicContact CD1-CE2 4.23Å; R117-Y119 HydrophobicContact CG-CE2 3.84Å; R117-Y119 PolarHBondContact NE-OH 2.95Å; R117-Y119 PolarHBondContact NH2-OH 2.91Å |
| 120 | W | 95.5 | Very high | 94.6 | Very high | 190 Ų | 190 | 78.2 Ų | 78.2 | 72% | 0.72 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.2 | 163.8 | -67.1 | 104.4 | 0 | 0 | 0 | 110 | ||
| 121 | L | 94.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 133.9 | 176.6 | -67.2 | 179.1 | 0 | 0 | 0 | 110.1 | F72 T90 D93 L95 I125 F130 | F72-L121 HydrophobicContact CE1-CD2 4.39Å; T90-L121 HydrophobicContact CG2-CD1 4.39Å; D93-L121 VanDerWaalsContact O-CB 3.26Å; D93-L121 WeakPolarHBondContact O-CB 3.17Å; D93-L121 PolarHBondContact O-N 3.16Å; L95-L121 HydrophobicContact CB-CD2 3.73Å; L95-L121 HydrophobicContact CB-CG 4.32Å; L121-I125 HydrophobicContact CD1-CG2 4.44Å; L121-F130 HydrophobicContact CD1-CE2 3.96Å; L121-F130 HydrophobicContact CD1-CZ 4.45Å; L121-F130 HydrophobicContact CD2-CE2 3.86Å; L121-F130 HydrophobicContact CD2-CZ 3.49Å; L121-F130 VanDerWaalsContact CD2-CZ 3.49Å |
| 122 | P | 92.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 80.8 Ų | 80.8 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 155.6 | 171.1 | 28.4 | -32.3 | 0 | 0 | 0 | 110.2 | N67 F72 I125 | N67-P122 WeakPolarHBondContact OD1-CG 3.24Å; F72-P122 HydrophobicContact CB-CG 3.99Å; F72-P122 HydrophobicContact CD2-CG 3.87Å; F72-P122 HydrophobicContact CG-CG 4.2Å; P122-I125 HydrophobicContact CG-CD1 4.5Å; P122-I125 HydrophobicContact CG-CG1 3.73Å; P122-I125 PolarHBondContact O-N 3.07Å |
| 123 | K | 90.6 | Very high | 95 | Very high | 206 Ų | 206 | 80.5 Ų | 80.5 | 90% | 0.896 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 148.5 | 174.4 | -64 | -176.9 | -179.9 | -178.9 | 0 | 111.1 | I125 | K123-I125 VanDerWaalsContact C-N 3.29Š|
| 124 | G | 90.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 79.7 Ų | 79.7 | 32% | 0.32 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -0.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V147 | G124-V147 VanDerWaalsContact CA-O 3.29Å; G124-V147 WeakPolarHBondContact CA-O 3.13Å; G124-V147 WeakPolarHBondContact O-CB 3.28Å; G124-V147 PolarHBondContact O-N 2.94Å |
| 125 | I | 93.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 77.9 Ų | 77.9 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 127.9 | 168.9 | -63.6 | -64.4 | 0 | 0 | 0 | 109.1 | F72 L121 P122 K123 F130 A144 K146 | F72-I125 HydrophobicContact CB-CD1 3.83Å; F72-I125 HydrophobicContact CB-CG1 4.27Å; L121-I125 HydrophobicContact CD1-CG2 4.44Å; P122-I125 HydrophobicContact CG-CD1 4.5Å; P122-I125 HydrophobicContact CG-CG1 3.73Å; P122-I125 PolarHBondContact O-N 3.07Å; K123-I125 VanDerWaalsContact C-N 3.29Å; I125-F130 HydrophobicContact CG2-CD2 4.32Å; I125-F130 HydrophobicContact CG2-CE2 3.42Å; I125-F130 VanDerWaalsContact CG2-CE2 3.42Å; I125-F130 HydrophobicContact CG2-CZ 3.62Å; I125-A144 HydrophobicContact CD1-CB 4.05Å; I125-A144 HydrophobicContact CG2-CB 4.05Å; I125-K146 HydrophobicContact CD1-CB 4.37Å; I125-K146 HydrophobicContact CD1-CG 3.52Å; I125-K146 HydrophobicContact CG1-CG 4.2Å |
| 126 | I | 92.3 | Very high | 95 | Very high | 71 Ų | 71 | 82.5 Ų | 82.5 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | trans | -94.7 | 118.1 | 169.2 | -59.6 | 177 | 0 | 0 | 0 | 106.7 | E128 N129 V147 | I126-E128 HydrophobicContact CG2-CB 4.27Å; I126-E128 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact O-N 3.16Å; I126-N129 HydrophobicContact CB-CB 4.44Å; I126-N129 WeakPolarHBondContact O-CB 3.43Å; I126-N129 PolarHBondContact O-N 3.09Å; I126-V147 HydrophobicContact CD1-CG2 3.84Å; I126-V147 HydrophobicContact CG1-CG2 4.18Å | ||
| 127 | P | 92.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 83.6 Ų | 83.6 | 40% | 0.403 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -56.2 | -34 | -174.8 | -28.2 | 35.4 | 0 | 0 | 0 | 114.4 | T90 N129 F130 | T90-P127 HydrophobicContact CG2-CB 4.26Å; T90-P127 WeakPolarHBondContact OG1-CB 3.36Å; P127-N129 PolarHBondContact O-N 3.05Å; P127-F130 WeakPolarHBondContact O-CD2 3.2Å; P127-F130 PolarHBondContact O-N 3.23Å |
| 128 | E | 93.1 | Very high | 94.9 | Very high | 181 Ų | 181 | 80.3 Ų | 80.3 | 85% | 0.846 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -66.7 | -18 | 178.8 | -61.6 | 172.1 | -170.1 | 0 | 0 | 113.5 | I126 | I126-E128 HydrophobicContact CG2-CB 4.27Å; I126-E128 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact O-N 3.16Å |
| 129 | N | 94.8 | Very high | 95 | Very high | 83 Ų | 83 | 81 Ų | 81 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -89.5 | -0.2 | -178.6 | -72.7 | -13 | 0 | 0 | 0 | 113.7 | I126 P127 | I126-N129 HydrophobicContact CB-CB 4.44Å; I126-N129 WeakPolarHBondContact O-CB 3.43Å; I126-N129 PolarHBondContact O-N 3.09Å; P127-N129 PolarHBondContact O-N 3.05Å |
| 130 | F | 97.6 | Very high | 95.1 | Very high | 37 Ų | 37 | 79.3 Ų | 79.3 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | trans | -62.6 | 138.8 | 174.4 | -86.8 | -71.2 | 0 | 0 | 0 | 111.5 | F72 T90 L95 L121 I125 P127 I142 E143 A144 | F72-F130 AromaticContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CZ 4.06Å; F72-F130 HydrophobicContact CE1-CE1 4.4Å; T90-F130 HydrophobicContact CG2-CD2 3.95Å; T90-F130 HydrophobicContact CG2-CE2 4.08Å; L95-F130 HydrophobicContact CD2-CE1 4.47Å; L121-F130 HydrophobicContact CD1-CE2 3.96Å; L121-F130 HydrophobicContact CD1-CZ 4.45Å; L121-F130 HydrophobicContact CD2-CE2 3.86Å; L121-F130 HydrophobicContact CD2-CZ 3.49Å; L121-F130 VanDerWaalsContact CD2-CZ 3.49Å; I125-F130 HydrophobicContact CG2-CD2 4.32Å; I125-F130 HydrophobicContact CG2-CE2 3.42Å; I125-F130 VanDerWaalsContact CG2-CE2 3.42Å; I125-F130 HydrophobicContact CG2-CZ 3.62Å; P127-F130 WeakPolarHBondContact O-CD2 3.2Å; P127-F130 PolarHBondContact O-N 3.23Å; F130-I142 HydrophobicContact CD1-CG2 3.66Å; F130-I142 HydrophobicContact CE1-CG2 4.11Å; F130-I142 HydrophobicContact CG-CG2 4.47Å; F130-E143 CarbonylContact C-O 3.51Å; F130-E143 WeakPolarHBondContact CA-O 3.38Å; F130-A144 HydrophobicContact CD1-CB 3.52Å; F130-A144 HydrophobicContact CD2-CB 4.21Å; F130-A144 HydrophobicContact CE1-CB 3.52Å; F130-A144 HydrophobicContact CE2-CB 4.21Å; F130-A144 HydrophobicContact CG-CB 3.86Å; F130-A144 HydrophobicContact CZ-CB 3.87Å | ||
| 131 | K | 98.1 | Very high | 95.2 | Very high | 155 Ų | 155 | 71.7 Ų | 71.7 | 67% | 0.674 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.9 | 170.2 | -63.4 | -177.8 | -177.9 | -179.7 | 0 | 108.6 | I142 E143 | K131-I142 WeakPolarHBondContact O-CA 3.45Å; K131-E143 PolarHBondContact N-O 3.13Å; K131-E143 PolarHBondContact O-N 2.79Å |
| 132 | S | 97.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 57% | 0.566 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.2 | 174.1 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | T141 | S132-T141 CarbonylContact C-O 3.59Å; S132-T141 VanDerWaalsContact CA-O 3.26Å; S132-T141 WeakPolarHBondContact CA-O 3.26Å |
| 133 | N | 98.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 72.9 Ų | 72.9 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 129.2 | 171.7 | -171.8 | -63.5 | 0 | 0 | 0 | 109 | P135 T141 | N133-P135 WeakPolarHBondContact OD1-CD 3.24Å; N133-P135 WeakPolarHBondContact OD1-CG 3.41Å; N133-T141 PolarHBondContact N-O 3.12Å; N133-T141 PolarHBondContact O-N 3.34Å |
| 134 | L | 97.8 | Very high | 96 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | trans | -120.1 | 96.5 | 174 | 177.6 | 54 | 0 | 0 | 0 | 108.9 | V78 P83 L86 L140 | V78-L134 HydrophobicContact CG2-CD1 3.65Å; V78-L134 HydrophobicContact CG2-CD2 4.37Å; P83-L134 HydrophobicContact CB-CD2 4.18Å; P83-L134 HydrophobicContact CG-CD2 3.93Å; L86-L134 HydrophobicContact CD1-CD2 3.84Å; L134-L140 HydrophobicContact CB-CD1 4.13Å; L134-L140 HydrophobicContact CD1-CB 4.09Å | ||
| 135 | P | 96.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | trans | -72.5 | 166.9 | 175.6 | -8.4 | 24 | 0 | 0 | 0 | 111.8 | N133 N137 G138 L139 | N133-P135 WeakPolarHBondContact OD1-CD 3.24Å; N133-P135 WeakPolarHBondContact OD1-CG 3.41Å; P135-N137 WeakPolarHBondContact CB-OD1 3.32Å; P135-N137 PolarHBondContact O-N 2.68Å; P135-G138 PolarHBondContact O-N 2.9Å; P135-G138 VanDerWaalsContact O-N 3.07Å; P135-L139 WeakPolarHBondContact CD-O 3.48Å | ||
| 136 | P | 95.7 | Very high | 96.3 | Very high | 145 Ų | 145 | 66 Ų | 66 | 94% | 0.942 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.3 | -179.7 | -24.2 | 34.4 | 0 | 0 | 0 | 115.4 | G138 | P136-G138 PolarHBondContact O-N 2.77Š|
| 137 | N | 94.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 66.6 Ų | 66.6 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 1.1 | 176.2 | 67.7 | -7.4 | 0 | 0 | 0 | 113.4 | P135 L139 | P135-N137 WeakPolarHBondContact CB-OD1 3.32Å; P135-N137 PolarHBondContact O-N 2.68Å; N137-L139 VanDerWaalsContact C-N 3.3Å; N137-L139 PolarHBondContact O-N 2.9Å; N137-L139 PolarHBondContact OD1-N 2.88Å; N137-L139 VanDerWaalsContact OD1-N 3.13Å |
| 138 | G | 96 | Very high | 95.4 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 9% | 0.093 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 78.2 | 7.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V78 P135 P136 L140 | V78-G138 VanDerWaalsContact CG2-O 3.24Å; V78-G138 WeakPolarHBondContact CG2-O 3.39Å; V78-G138 PolarHBondContact N-O 3.49Å; P135-G138 PolarHBondContact O-N 2.9Å; P135-G138 VanDerWaalsContact O-N 3.07Å; P136-G138 PolarHBondContact O-N 2.77Å; G138-L140 PolarHBondContact O-N 3.33Å |
| 139 | L | 96.7 | Very high | 94.2 | Very high | 46 Ų | 46 | 69.5 Ų | 69.5 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 87.4 | -179.5 | -59.4 | -172.2 | 0 | 0 | 0 | 111.6 | V62 T75 L76 D77 P135 N137 T141 | V62-L139 HydrophobicContact CG1-CD1 4.4Å; V62-L139 HydrophobicContact CG1-CD2 3.28Å; V62-L139 HydrophobicContact CG1-CG 4.48Å; T75-L139 HydrophobicContact CG2-CB 4.34Å; L76-L139 CarbonylContact O-C 3.58Å; L76-L139 WeakPolarHBondContact O-CA 3.42Å; D77-L139 HydrophobicContact CB-CD2 4.01Å; P135-L139 WeakPolarHBondContact CD-O 3.48Å; N137-L139 VanDerWaalsContact C-N 3.3Å; N137-L139 PolarHBondContact O-N 2.9Å; N137-L139 PolarHBondContact OD1-N 2.88Å; N137-L139 VanDerWaalsContact OD1-N 3.13Å; L139-T141 PolarHBondContact O-N 2.78Å |
| 140 | L | 98.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 125.7 | 174.9 | 176 | 63.1 | 0 | 0 | 0 | 110 | T75 L76 V78 L86 I88 I97 L134 G138 I142 | T75-L140 CarbonylContact C-O 3.5Å; T75-L140 VanDerWaalsContact CA-O 3.23Å; T75-L140 WeakPolarHBondContact CA-O 3.03Å; L76-L140 PolarHBondContact N-O 2.74Å; L76-L140 PolarHBondContact O-N 3.18Å; V78-L140 HydrophobicContact CG1-CB 4.26Å; V78-L140 HydrophobicContact CG1-CD2 4.38Å; V78-L140 HydrophobicContact CG2-CB 3.64Å; L86-L140 HydrophobicContact CD1-CD2 4.48Å; I88-L140 HydrophobicContact CD1-CD1 4.31Å; I88-L140 HydrophobicContact CD1-CD2 4.23Å; I97-L140 HydrophobicContact CG2-CD2 4.24Å; L134-L140 HydrophobicContact CB-CD1 4.13Å; L134-L140 HydrophobicContact CD1-CB 4.09Å; G138-L140 PolarHBondContact O-N 3.33Å; L140-I142 HydrophobicContact CD1-CG1 4.33Å; L140-I142 HydrophobicContact CD2-CD1 4.06Å; L140-I142 HydrophobicContact CD2-CG1 4.39Å; L140-I142 HydrophobicContact CG-CD1 4.3Å; L140-I142 HydrophobicContact CG-CG1 4.11Å |
| 141 | T | 98.2 | Very high | 91.1 | Very high | 29 Ų | 29 | 75.2 Ų | 75.2 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.9 | 173.2 | -59 | 0 | 0 | 0 | 0 | 109.8 | Q73 D74 T75 S132 N133 L139 | Q73-T141 HydrophobicContact CG-CG2 3.72Å; D74-T141 CarbonylContact O-C 3.6Å; D74-T141 WeakPolarHBondContact O-CA 3.32Å; T75-T141 PolarHBondContact OG1-OG1 3.33Å; S132-T141 CarbonylContact C-O 3.59Å; S132-T141 VanDerWaalsContact CA-O 3.26Å; S132-T141 WeakPolarHBondContact CA-O 3.26Å; N133-T141 PolarHBondContact N-O 3.12Å; N133-T141 PolarHBondContact O-N 3.34Å; L139-T141 PolarHBondContact O-N 2.78Å |
| 142 | I | 98.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.5 | 178.5 | -56.8 | 165.2 | 0 | 0 | 0 | 107.4 | Q73 D74 I88 L95 I97 F130 K131 L140 | Q73-I142 CarbonylContact C-O 3.55Å; Q73-I142 VanDerWaalsContact CA-O 3.27Å; Q73-I142 WeakPolarHBondContact CA-O 3.4Å; D74-I142 PolarHBondContact N-O 3.15Å; D74-I142 PolarHBondContact O-N 3.05Å; I88-I142 HydrophobicContact CD1-CD1 3.58Å; I88-I142 HydrophobicContact CD1-CG1 3.8Å; I88-I142 HydrophobicContact CG1-CD1 3.88Å; I88-I142 HydrophobicContact CG2-CD1 4.04Å; L95-I142 HydrophobicContact CD1-CG2 4.29Å; L95-I142 HydrophobicContact CD2-CG2 3.99Å; I97-I142 HydrophobicContact CD1-CD1 3.39Å; I97-I142 HydrophobicContact CG1-CD1 3.57Å; F130-I142 HydrophobicContact CD1-CG2 3.66Å; F130-I142 HydrophobicContact CE1-CG2 4.11Å; F130-I142 HydrophobicContact CG-CG2 4.47Å; K131-I142 WeakPolarHBondContact O-CA 3.45Å; L140-I142 HydrophobicContact CD1-CG1 4.33Å; L140-I142 HydrophobicContact CD2-CD1 4.06Å; L140-I142 HydrophobicContact CD2-CG1 4.39Å; L140-I142 HydrophobicContact CG-CD1 4.3Å; L140-I142 HydrophobicContact CG-CG1 4.11Å |
| 143 | E | 97.9 | Very high | 88.8 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 150.7 | -177 | 63.2 | 174.4 | -179.2 | 0 | 0 | 114 | K71 F72 Q73 F130 K131 | K71-E143 IonicContact NZ-OE2 2.95Å; K71-E143 PolarHBondContact NZ-OE2 2.75Å; F72-E143 CarbonylContact O-C 3.56Å; F72-E143 VanDerWaalsContact O-CA 3.24Å; F72-E143 WeakPolarHBondContact O-CA 3.37Å; Q73-E143 HydrophobicContact CB-CB 3.81Å; Q73-E143 HydrophobicContact CG-CB 3.99Å; Q73-E143 PolarHBondContact OE1-OE2 3.39Å; F130-E143 CarbonylContact C-O 3.51Å; F130-E143 WeakPolarHBondContact CA-O 3.38Å; K131-E143 PolarHBondContact N-O 3.13Å; K131-E143 PolarHBondContact O-N 2.79Å |
| 144 | A | 97.5 | Very high | 88.1 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 143.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K71 F72 I125 F130 | K71-A144 WeakPolarHBondContact CA-O 3.44Å; K71-A144 WeakPolarHBondContact CB-O 3.13Å; F72-A144 PolarHBondContact N-O 2.83Å; F72-A144 PolarHBondContact O-N 2.81Å; I125-A144 HydrophobicContact CD1-CB 4.05Å; I125-A144 HydrophobicContact CG2-CB 4.05Å; F130-A144 HydrophobicContact CD1-CB 3.52Å; F130-A144 HydrophobicContact CD2-CB 4.21Å; F130-A144 HydrophobicContact CE1-CB 3.52Å; F130-A144 HydrophobicContact CE2-CB 4.21Å; F130-A144 HydrophobicContact CG-CB 3.86Å; F130-A144 HydrophobicContact CZ-CB 3.87Å |
| 145 | A | 95.7 | Very high | 87.6 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 51% | 0.512 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 144.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 146 | K | 93.6 | Very high | 87.3 | Confident | 45 Ų | 45 | 86.9 Ų | 86.9 | 20% | 0.196 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 132.2 | 172.6 | -68.5 | -178.7 | -176.7 | 175.6 | 0 | 110 | N67 D68 K70 I125 | N67-K146 WeakPolarHBondContact OD1-CE 3.17Å; N67-K146 PolarHBondContact OD1-NZ 3.07Å; D68-K146 VanDerWaalsContact O-CD 3.24Å; D68-K146 WeakPolarHBondContact O-CD 3.46Å; D68-K146 WeakPolarHBondContact O-CE 3.33Å; D68-K146 PolarHBondContact O-NZ 2.74Å; K70-K146 PolarHBondContact O-N 3.48Å; I125-K146 HydrophobicContact CD1-CB 4.37Å; I125-K146 HydrophobicContact CD1-CG 3.52Å; I125-K146 HydrophobicContact CG1-CG 4.2Å |
| 147 | V | 88.3 | Confident | 87.1 | Confident | 85 Ų | 85 | 86.5 Ų | 86.5 | 52% | 0.515 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -97 | 131.3 | 172.8 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | G124 I126 | G124-V147 VanDerWaalsContact CA-O 3.29Å; G124-V147 WeakPolarHBondContact CA-O 3.13Å; G124-V147 WeakPolarHBondContact O-CB 3.28Å; G124-V147 PolarHBondContact O-N 2.94Å; I126-V147 HydrophobicContact CD1-CG2 3.84Å; I126-V147 HydrophobicContact CG1-CG2 4.18Å |
| 148 | G | 79 | Confident | 87.1 | Confident | 59 Ų | 59 | 86.9 Ų | 86.9 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 103.8 | 162.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 149 | R | 66.8 | Low | 86.9 | Confident | 245 Ų | 245 | 94.6 Ų | 94.6 | 93% | 0.925 | 50% | 0.503 | S | S | * | . | trans | -77.6 | 125.8 | 178.2 | -67.3 | -169.2 | -173.6 | -119.8 | 2.5 | 109.1 | H151 | R149-H151 PolarHBondContact O-N 3.12Š| ||
| 150 | P | 63.2 | Low | 86.8 | Confident | 67 Ų | 67 | 101.2 Ų | 101.2 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | trans | -68.6 | 107.3 | 171.5 | 19.9 | -17 | 0 | 0 | 0 | 107.5 | D69 S152 | D69-P150 HydrophobicContact CB-CB 4.01Å; D69-P150 HydrophobicContact CB-CG 3.41Å; D69-P150 VanDerWaalsContact CB-CG 3.41Å; D69-P150 WeakPolarHBondContact OD1-CB 3.24Å; P150-S152 PolarHBondContact O-N 2.89Å; P150-S152 VanDerWaalsContact O-N 3.1Å | ||
| 151 | H | 65.9 | Low | 86.4 | Confident | 173 Ų | 173 | 112.4 Ų | 112.4 | 80% | 0.801 | 57% | 0.572 | S | S | * | * | trans | -83.6 | 74.3 | 166.3 | -159.7 | 75.2 | 0 | 0 | 0 | 107.7 | R149 | R149-H151 PolarHBondContact O-N 3.12Š| ||
| 152 | S | 67.2 | Low | 85.6 | Confident | 94 Ų | 94 | 119 Ų | 119 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | trans | -84 | 110.8 | 172.5 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | P150 | P150-S152 PolarHBondContact O-N 2.89Å; P150-S152 VanDerWaalsContact O-N 3.1Å | ||
| 153 | V | 78.9 | Confident | 85 | Confident | 110 Ų | 110 | 124.9 Ų | 124.9 | 67% | 0.667 | 66% | 0.66 | S | S | * | * | trans | -86.6 | 115.5 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | H155 | V153-H155 PolarHBondContact O-N 3.03Š| ||
| 154 | E | 83.9 | Confident | 84.3 | Confident | 155 Ų | 155 | 127.6 Ų | 127.6 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | trans | -65.5 | 128.2 | 175.6 | -172.5 | -173.7 | 158.9 | 0 | 0 | 110.1 | K156 | E154-K156 WeakPolarHBondContact OE1-CE 3.03Š| ||
| 155 | H | 86.2 | Confident | 83.6 | Confident | 154 Ų | 154 | 134.4 Ų | 134.4 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -129.6 | 121.5 | 175 | -176.1 | 69.7 | 0 | 0 | 0 | 110.7 | V153 | V153-H155 PolarHBondContact O-N 3.03Š| ||
| 156 | K | 91.4 | Very high | 82.8 | Confident | 168 Ų | 168 | 138.7 Ų | 138.7 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 118.2 | 179.9 | -68 | -174.5 | 178.8 | -178.9 | 0 | 110.9 | E154 | E154-K156 WeakPolarHBondContact OE1-CE 3.03Š|
| 157 | I | 91.6 | Very high | 82.2 | Confident | 136 Ų | 136 | 144.6 Ų | 144.6 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -99 | 117.7 | 177.6 | -56 | 173.7 | 0 | 0 | 0 | 108.7 | ||
| 158 | P | 93.3 | Very high | 81.8 | Confident | 101 Ų | 101 | 148.5 Ų | 148.5 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130.3 | 178.7 | 28.1 | -32.9 | 0 | 0 | 0 | 111.3 | ||
| 159 | I | 93.3 | Very high | 82 | Confident | 172 Ų | 172 | 154.9 Ų | 154.9 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 121.3 | 173.1 | -58.1 | 170.8 | 0 | 0 | 0 | 108.2 | ||
| 160 | K | 94.8 | Very high | 83.1 | Confident | 184 Ų | 184 | 148 Ų | 148 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -110.8 | 129.6 | 173.1 | -63.7 | -177.1 | -179.1 | -178.9 | 0 | 108.9 | ||||
| 161 | R | 88.5 | Confident | 84.8 | Confident | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -82.8 | 127.1 | 165.8 | -178.6 | 176.8 | -72.2 | 169.3 | -2.9 | 107.4 | ||||
| 162 | A | 82.5 | Confident | 86.5 | Confident | 167 Ų | 167 | 153.1 Ų | 153.1 | 100% | 1.38 | 80% | 0.802 | S | S | * | * | trans | -78.4 | 0 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 162 of 162 residues in 69 ms
(Link to these results)