| 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 | 31.5 | Very low | 34.6 | Very low | 251 Ų | 251 | 139 Ų | 139 | 100% | 1.236 | 84% | 0.843 | S | S | * | * | 0 | 158.9 | 0 | -65.9 | 175.4 | 177.3 | 0 | 0 | 108 | |||||
| 2 | A | 37.8 | Very low | 34.5 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -95.2 | 165 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3 | T | 39.3 | Very low | 34.5 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 91% | 0.908 | 84% | 0.836 | S | S | * | * | 172.1 | 142 | 119.7 | 38.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 4 | G | 32.7 | Very low | 34.2 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | trans | 87 | 149.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 5 | G | 35.7 | Very low | 34.1 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | cis | 153.1 | 117.7 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 6 | G | 30.2 | Very low | 34.2 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 143.3 | 132.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | A | 38.2 | Very low | 34.3 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | 75.2 | 133.3 | 54.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 8 | E | 34.2 | Very low | 34.1 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | cis | -161.3 | 166.3 | 8.5 | -140.1 | 163.1 | 114 | 0 | 0 | 114.4 | ||||
| 9 | E | 33.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | 69.6 | 152.6 | 152.6 | -154.2 | 162.4 | 118.5 | 0 | 0 | 124.8 | ||||
| 10 | E | 34.7 | Very low | 34.6 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 57% | 0.57 | 81% | 0.813 | S | S | * | * | trans | -100.2 | 151.9 | -175.5 | -174.8 | -141.3 | 103.9 | 0 | 0 | 113.1 | K12 | E10-K12 WeakPolarHBondContact OE1-CG 3.47Å; E10-K12 IonicContact OE1-NZ 2.66Å; E10-K12 PolarHBondContact OE1-NZ 2.89Å; E10-K12 IonicContact OE2-NZ 2.89Å; E10-K12 PolarHBondContact OE2-NZ 2.66Å | ||
| 11 | R | 32.8 | Very low | 34.7 | Very low | 225 Ų | 225 | 144.4 Ų | 144.4 | 85% | 0.849 | 81% | 0.812 | S | S | * | * | trans | -156.4 | 142.1 | 149.2 | -132.4 | 155.3 | 163.5 | -104.2 | 2.2 | 117.5 | ||||
| 12 | K | 33.8 | Very low | 34.5 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -101.1 | 146.5 | -176.3 | -57.5 | 174.9 | 179 | 82.3 | 0 | 113.9 | E10 | E10-K12 WeakPolarHBondContact OE1-CG 3.47Å; E10-K12 IonicContact OE1-NZ 2.66Å; E10-K12 PolarHBondContact OE1-NZ 2.89Å; E10-K12 IonicContact OE2-NZ 2.89Å; E10-K12 PolarHBondContact OE2-NZ 2.66Å | ||
| 13 | R | 34.5 | Very low | 34.4 | Very low | 245 Ų | 245 | 144.5 Ų | 144.5 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -175.1 | 154.4 | 154.5 | -102.2 | 163.9 | -167.3 | -101.5 | -0.3 | 108.1 | ||||
| 14 | G | 30.6 | Very low | 34.1 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | 169.7 | 128.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 15 | R | 31.9 | Very low | 33.8 | Very low | 213 Ų | 213 | 144.2 Ų | 144.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -93.6 | 137.1 | -170.1 | 177 | -176.3 | -178 | -156.2 | 5.1 | 113.6 | ||||
| 16 | P | 35.8 | Very low | 34 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | trans | -100.7 | 158.9 | 154 | -0.2 | 21.2 | 0 | 0 | 0 | 112.7 | ||||
| 17 | Q | 35.7 | Very low | 34 | Very low | 150 Ų | 150 | 153 Ų | 153 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -109.5 | 155.9 | 161.5 | -61.6 | -174.2 | 19.2 | 0 | 0 | 109.4 | ||||
| 18 | L | 30.9 | Very low | 33.5 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -161.4 | 158.7 | 158.2 | -107.5 | 162.5 | 0 | 0 | 0 | 110.6 | ||||
| 19 | L | 29.9 | Very low | 33.3 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -157.8 | 164.7 | -172.6 | -99 | 168.4 | 0 | 0 | 0 | 108.5 | ||||
| 20 | P | 47.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | -104.1 | -162.4 | -56.1 | 35.5 | -19.4 | 0 | 0 | 0 | 110 | |||||
| 21 | P | 37 | Very low | 33 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | -153.3 | 168.7 | 91.6 | 39.7 | -21.2 | 0 | 0 | 0 | 117.6 | |||||
| 22 | A | 28.5 | Very low | 33 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 65.9 | 131.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 23 | R | 34 | Very low | 32.9 | Very low | 244 Ų | 244 | 145.5 Ų | 145.5 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -85.7 | 160.6 | 160.1 | -75.4 | 174.9 | 152 | -175 | -8.2 | 110.1 | ||||
| 24 | P | 33.6 | Very low | 32.7 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | -146 | 173.3 | 101.9 | 40.2 | -26.8 | 0 | 0 | 0 | 115.6 | |||||
| 25 | A | 27 | Very low | 33 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | 66 | 133.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 26 | A | 39.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -89.9 | 149.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | R | 29.7 | Very low | 33.9 | Very low | 250 Ų | 250 | 145.4 Ų | 145.4 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -124.6 | 147.8 | 152.5 | -76.2 | -171.8 | 167.6 | -146 | -4 | 107.4 | ||||
| 28 | G | 28.5 | Very low | 34.3 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -67.3 | 149.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | E30 | G28-E30 PolarHBondContact O-N 3.45Š| ||
| 29 | E | 29.4 | Very low | 34.9 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -69.5 | 103.1 | 162.6 | -70.4 | 159.3 | 84.5 | 0 | 0 | 108.5 | A31 | E29-A31 PolarHBondContact O-N 2.69Š| ||
| 30 | E | 31.3 | Very low | 35.5 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 114.9 | 151.5 | -77.9 | -170.4 | 99.7 | 0 | 0 | 106.8 | G28 D32 | G28-E30 PolarHBondContact O-N 3.45Å; E30-D32 PolarHBondContact O-N 2.95Å; E30-D32 VanDerWaalsContact O-N 3.08Å | ||
| 31 | A | 30 | Very low | 35.1 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -68.5 | 107.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109 | E29 G33 | E29-A31 PolarHBondContact O-N 2.69Å; A31-G33 PolarHBondContact O-N 2.83Å | ||
| 32 | D | 33 | Very low | 35.2 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -64.4 | 85.6 | 167 | -178.1 | 19 | 0 | 0 | 0 | 109 | E30 G34 | E30-D32 PolarHBondContact O-N 2.95Å; E30-D32 VanDerWaalsContact O-N 3.08Å; D32-G34 PolarHBondContact O-N 3.14Å | ||
| 33 | G | 31.5 | Very low | 36.3 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -74 | 53.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 R35 | A31-G33 PolarHBondContact O-N 2.83Å; G33-R35 PolarHBondContact O-N 3.18Å | ||
| 34 | G | 30.2 | Very low | 36.9 | Very low | 58 Ų | 58 | 127.8 Ų | 127.8 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | trans | -60.7 | 74.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D32 E36 | D32-G34 PolarHBondContact O-N 3.14Å; G34-E36 VanDerWaalsContact C-N 3.34Å; G34-E36 PolarHBondContact O-N 2.98Å | ||
| 35 | R | 38.8 | Very low | 37.3 | Very low | 222 Ų | 222 | 127.1 Ų | 127.1 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -67.4 | 90.3 | 179.6 | -178.1 | -178.4 | 176 | -167.4 | -1.6 | 109.1 | G33 K37 | G33-R35 PolarHBondContact O-N 3.18Å; R35-K37 PolarHBondContact O-N 3.12Å | ||
| 36 | E | 41.8 | Very low | 38.1 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | trans | -47.3 | 116.1 | 175.2 | -69.4 | -168.3 | 109.5 | 0 | 0 | 110 | G34 M38 | G34-E36 VanDerWaalsContact C-N 3.34Å; G34-E36 PolarHBondContact O-N 2.98Å; E36-M38 VanDerWaalsContact C-N 3.3Å; E36-M38 PolarHBondContact O-N 2.82Å | ||
| 37 | K | 43.8 | Very low | 38.3 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 80% | 0.796 | 68% | 0.678 | S | S | * | * | trans | -71 | 87.7 | -177.5 | -70.1 | -175.7 | 179.6 | -179.1 | 0 | 108.7 | R35 G39 E233 | R35-K37 PolarHBondContact O-N 3.12Å; K37-G39 PolarHBondContact O-N 3.4Å; K37-E233 IonicContact NZ-OE2 2.62Å | ||
| 38 | M | 45.2 | Very low | 39 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 54% | 0.542 | 66% | 0.659 | S | S | . | * | trans | -44.7 | 128.6 | -179.9 | -81.5 | -174.9 | -85.4 | 0 | 0 | 111.9 | E36 Q42 V43 N46 | E36-M38 VanDerWaalsContact C-N 3.3Å; E36-M38 PolarHBondContact O-N 2.82Å; M38-Q42 HydrophobicContact CB-CB 4.46Å; M38-Q42 HydrophobicContact SD-CG 4.06Å; M38-V43 HydrophobicContact CB-CG2 4.1Å; M38-V43 WeakPolarHBondContact O-CG2 3.38Å; M38-N46 PolarHBondContact SD-ND2 3.01Å; M38-N46 VanDerWaalsContact SD-ND2 3.42Å | ||
| 39 | G | 43.5 | Very low | 39.5 | Very low | 50 Ų | 50 | 118.3 Ų | 118.3 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | trans | -59.7 | 147.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K37 A41 Q42 V43 | K37-G39 PolarHBondContact O-N 3.4Å; G39-A41 VanDerWaalsContact C-N 3.25Å; G39-A41 PolarHBondContact O-N 2.91Å; G39-Q42 WeakPolarHBondContact O-CA 3.35Å; G39-Q42 WeakPolarHBondContact O-CB 2.94Å; G39-Q42 PolarHBondContact O-N 3.42Å; G39-V43 PolarHBondContact O-N 3.38Å | ||
| 40 | W | 40.7 | Very low | 40 | Very low | 179 Ų | 179 | 117.1 Ų | 117.1 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -46.8 | -40 | -172.4 | -83.8 | 85.1 | 0 | 0 | 0 | 115.4 | Q42 V43 V44 | W40-Q42 VanDerWaalsContact C-N 3.31Å; W40-Q42 PolarHBondContact O-N 3.02Å; W40-V43 PolarHBondContact O-N 3.33Å; W40-V44 WeakPolarHBondContact O-CG2 3.44Å; W40-V44 PolarHBondContact O-N 3.5Å |
| 41 | A | 40.3 | Very low | 40.6 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.4 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G39 K45 | G39-A41 VanDerWaalsContact C-N 3.25Å; G39-A41 PolarHBondContact O-N 2.91Å; A41-K45 WeakPolarHBondContact O-CB 3.42Å; A41-K45 PolarHBondContact O-N 3.2Å; A41-K45 VanDerWaalsContact O-N 3.15Å |
| 42 | Q | 38.1 | Very low | 40.8 | Very low | 93 Ų | 93 | 114.6 Ų | 114.6 | 44% | 0.435 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.7 | -40 | 177 | -162.1 | 67.4 | 30.4 | 0 | 0 | 111.2 | M38 G39 W40 V44 K45 N46 | M38-Q42 HydrophobicContact CB-CB 4.46Å; M38-Q42 HydrophobicContact SD-CG 4.06Å; G39-Q42 WeakPolarHBondContact O-CA 3.35Å; G39-Q42 WeakPolarHBondContact O-CB 2.94Å; G39-Q42 PolarHBondContact O-N 3.42Å; W40-Q42 VanDerWaalsContact C-N 3.31Å; W40-Q42 PolarHBondContact O-N 3.02Å; Q42-V44 PolarHBondContact O-N 3.3Å; Q42-K45 PolarHBondContact O-N 2.93Å; Q42-N46 PolarHBondContact NE2-OD1 3.39Å; Q42-N46 WeakPolarHBondContact O-CB 3.46Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-OD1 2.99Å; Q42-N46 VanDerWaalsContact O-OD1 3.07Å |
| 43 | V | 51.9 | Low | 40.8 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 41% | 0.412 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.6 | -46.5 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 111 | M38 G39 W40 K45 N46 L47 | M38-V43 HydrophobicContact CB-CG2 4.1Å; M38-V43 WeakPolarHBondContact O-CG2 3.38Å; G39-V43 PolarHBondContact O-N 3.38Å; W40-V43 PolarHBondContact O-N 3.33Å; V43-K45 VanDerWaalsContact C-N 3.31Å; V43-K45 PolarHBondContact O-N 3.44Å; V43-N46 PolarHBondContact O-N 2.99Å; V43-L47 WeakPolarHBondContact O-CB 3.39Å; V43-L47 PolarHBondContact O-N 3.27Å |
| 44 | V | 48.3 | Very low | 40.7 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 58% | 0.582 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.5 | -38.5 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | W40 Q42 A48 | W40-V44 WeakPolarHBondContact O-CG2 3.44Å; W40-V44 PolarHBondContact O-N 3.5Å; Q42-V44 PolarHBondContact O-N 3.3Å; V44-A48 PolarHBondContact O-N 3.47Å |
| 45 | K | 40.8 | Very low | 40.9 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 47% | 0.474 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.3 | -50.2 | 178.7 | -157.7 | -177.2 | -177 | -101.2 | 0 | 111.8 | A41 Q42 V43 L47 A48 E49 | A41-K45 WeakPolarHBondContact O-CB 3.42Å; A41-K45 PolarHBondContact O-N 3.2Å; A41-K45 VanDerWaalsContact O-N 3.15Å; Q42-K45 PolarHBondContact O-N 2.93Å; V43-K45 VanDerWaalsContact C-N 3.31Å; V43-K45 PolarHBondContact O-N 3.44Å; K45-L47 PolarHBondContact O-N 2.88Å; K45-A48 WeakPolarHBondContact O-CB 3.36Å; K45-A48 PolarHBondContact O-N 3.41Å; K45-E49 WeakPolarHBondContact CE-OE1 3.39Å; K45-E49 IonicContact NZ-OE1 2.7Å; K45-E49 PolarHBondContact NZ-OE1 3.21Å; K45-E49 WeakPolarHBondContact O-CG 3.34Å; K45-E49 PolarHBondContact O-N 2.98Å |
| 46 | N | 43 | Very low | 40.6 | Very low | 50 Ų | 50 | 125.3 Ų | 125.3 | 27% | 0.267 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.5 | -32.9 | 178 | -62.4 | 6.2 | 0 | 0 | 0 | 111.8 | M38 Q42 V43 E49 K50 | M38-N46 PolarHBondContact SD-ND2 3.01Å; M38-N46 VanDerWaalsContact SD-ND2 3.42Å; Q42-N46 PolarHBondContact NE2-OD1 3.39Å; Q42-N46 WeakPolarHBondContact O-CB 3.46Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-OD1 2.99Å; Q42-N46 VanDerWaalsContact O-OD1 3.07Å; V43-N46 PolarHBondContact O-N 2.99Å; N46-E49 PolarHBondContact O-N 3.34Å; N46-K50 WeakPolarHBondContact O-CB 3.47Å; N46-K50 PolarHBondContact O-N 3.35Å |
| 47 | L | 45.5 | Very low | 40 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 68% | 0.681 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.6 | -27.7 | 176.9 | -157.3 | 77.8 | 0 | 0 | 0 | 113 | V43 K45 | V43-L47 WeakPolarHBondContact O-CB 3.39Å; V43-L47 PolarHBondContact O-N 3.27Å; K45-L47 PolarHBondContact O-N 2.88Å |
| 48 | A | 42.7 | Very low | 39.3 | Very low | 67 Ų | 67 | 124 Ų | 124 | 55% | 0.554 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.6 | -43.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V44 K45 K50 K51 G52 | V44-A48 PolarHBondContact O-N 3.47Å; K45-A48 WeakPolarHBondContact O-CB 3.36Å; K45-A48 PolarHBondContact O-N 3.41Å; A48-K50 PolarHBondContact O-N 3.38Å; A48-K51 PolarHBondContact O-N 2.92Å; A48-G52 PolarHBondContact O-N 2.52Å |
| 49 | E | 39 | Very low | 38.6 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 45% | 0.449 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.4 | -42.9 | 179.8 | -70.9 | 166.5 | 173 | 0 | 0 | 111.6 | K45 N46 K51 G52 | K45-E49 WeakPolarHBondContact CE-OE1 3.39Å; K45-E49 IonicContact NZ-OE1 2.7Å; K45-E49 PolarHBondContact NZ-OE1 3.21Å; K45-E49 WeakPolarHBondContact O-CG 3.34Å; K45-E49 PolarHBondContact O-N 2.98Å; N46-E49 PolarHBondContact O-N 3.34Å; E49-K51 PolarHBondContact O-N 2.86Å; E49-K51 VanDerWaalsContact O-N 3.1Å; E49-G52 PolarHBondContact O-N 2.69Å |
| 50 | K | 41.5 | Very low | 38 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 76% | 0.757 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -14.4 | 172.7 | -91.7 | -163.6 | 170.3 | -167.9 | 0 | 115.3 | N46 A48 | N46-K50 WeakPolarHBondContact O-CB 3.47Å; N46-K50 PolarHBondContact O-N 3.35Å; A48-K50 PolarHBondContact O-N 3.38Å |
| 51 | K | 44 | Very low | 37.4 | Very low | 172 Ų | 172 | 132 Ų | 132 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -6.7 | 171.2 | -81.1 | -166.7 | 169 | -168.5 | 0 | 113.8 | A48 E49 | A48-K51 PolarHBondContact O-N 2.92Å; E49-K51 PolarHBondContact O-N 2.86Å; E49-K51 VanDerWaalsContact O-N 3.1Å |
| 52 | G | 34.1 | Very low | 36.8 | Very low | 61 Ų | 61 | 139.5 Ų | 139.5 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -19.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | A48 E49 F54 | A48-G52 PolarHBondContact O-N 2.52Å; E49-G52 PolarHBondContact O-N 2.69Å; G52-F54 PolarHBondContact O-N 2.74Å |
| 53 | E | 33.1 | Very low | 36.4 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | -84.2 | 45 | -174.9 | -62 | -164.5 | 114.9 | 0 | 0 | 114.3 | ||||
| 54 | F | 28.9 | Very low | 35.5 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | trans | -114.5 | 85.2 | 157.4 | -166.1 | -97.4 | 0 | 0 | 0 | 109.7 | G52 | G52-F54 PolarHBondContact O-N 2.74Š| ||
| 55 | R | 33.6 | Very low | 34.6 | Very low | 209 Ų | 209 | 154.3 Ų | 154.3 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | trans | -81.9 | 122 | -177.5 | -168.4 | -176.1 | -164.2 | -178.8 | 7.9 | 110 | ||||
| 56 | E | 31.8 | Very low | 34.1 | Very low | 167 Ų | 167 | 155 Ų | 155 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | -54.1 | 133.2 | 177 | -66.4 | -179.4 | 106 | 0 | 0 | 112.1 | R58 | E56-R58 PolarHBondContact O-N 3.02Å; E56-R58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | P | 30.1 | Very low | 33.5 | Very low | 113 Ų | 113 | 156.5 Ų | 156.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -63.1 | 113.3 | 167.4 | -20.4 | 33 | 0 | 0 | 0 | 109.9 | L59 | P57-L59 PolarHBondContact O-N 2.93Å; P57-L59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | R | 28.8 | Very low | 32.6 | Very low | 220 Ų | 220 | 154.4 Ų | 154.4 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -61.7 | 114.7 | 173.3 | -73.6 | 176.9 | 170.9 | 167.6 | -6.5 | 109.5 | E56 | E56-R58 PolarHBondContact O-N 3.02Å; E56-R58 VanDerWaalsContact O-N 3.14Å | ||
| 59 | L | 30.2 | Very low | 32 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -59.3 | 135.2 | 166.6 | -67.9 | 173.4 | 0 | 0 | 0 | 109.3 | P57 R61 | P57-L59 PolarHBondContact O-N 2.93Å; P57-L59 VanDerWaalsContact O-N 3.11Å; L59-R61 PolarHBondContact O-N 2.97Å | ||
| 60 | P | 31.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 154.8 Ų | 154.8 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -66.6 | 129.6 | 179.2 | 26.6 | -33.1 | 0 | 0 | 0 | 110.3 | R62 | P60-R62 PolarHBondContact O-N 3.45Å; P60-R62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | R | 28.3 | Very low | 30.8 | Very low | 224 Ų | 224 | 150.6 Ų | 150.6 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -59.5 | 113.6 | 171.7 | 174.3 | 179.9 | 176 | 172.6 | -3.5 | 108.7 | L59 | L59-R61 PolarHBondContact O-N 2.97Š| ||
| 62 | R | 27.6 | Very low | 30.2 | Very low | 242 Ų | 242 | 148.3 Ų | 148.3 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | trans | -78.9 | 125.2 | 171 | -160.8 | 175.1 | -168.2 | 173.2 | 3.1 | 108.3 | P60 | P60-R62 PolarHBondContact O-N 3.45Å; P60-R62 VanDerWaalsContact O-N 3.16Å | ||
| 63 | E | 30.3 | Very low | 30 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | -81.8 | 139.6 | -178.7 | -68.5 | 167 | 134.3 | 0 | 0 | 110.3 | ||||
| 64 | E | 32 | Very low | 29.9 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 94% | 0.935 | 85% | 0.845 | S | S | * | * | trans | -89.4 | 110.4 | 169.7 | -69.1 | -177.5 | 105.3 | 0 | 0 | 108.3 | ||||
| 65 | E | 29.4 | Very low | 30.1 | Very low | 198 Ų | 198 | 144 Ų | 144 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | trans | -129.9 | 150.5 | 160.3 | -112.6 | -166.1 | 118.8 | 0 | 0 | 110.6 | ||||
| 66 | S | 30.6 | Very low | 29.9 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 87% | 0.874 | 85% | 0.848 | S | S | * | * | trans | -107.6 | 130.2 | -157.1 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 67 | G | 29.6 | Very low | 30.1 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | trans | 142.7 | 147.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 68 | G | 28.3 | Very low | 30.7 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | cis | 155.2 | 125.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 69 | G | 28.4 | Very low | 30.9 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 88% | 0.876 | 86% | 0.857 | S | S | * | * | trans | 109.2 | 135.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 70 | G | 28 | Very low | 30.9 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 90% | 0.897 | 85% | 0.851 | S | S | * | * | trans | -94.3 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 71 | G | 28.3 | Very low | 31.1 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 88% | 0.876 | 86% | 0.859 | S | S | * | * | trans | -177 | 130.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 72 | S | 30.8 | Very low | 31.3 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 87% | 0.867 | 86% | 0.858 | S | S | * | * | trans | -105.9 | 129.5 | -177.9 | 56 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 73 | A | 30.7 | Very low | 31.9 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 84% | 0.843 | 85% | 0.851 | S | S | * | * | trans | -158.2 | 148.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 74 | G | 31 | Very low | 32.2 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | trans | -86.8 | 164.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 75 | V | 33.4 | Very low | 32.3 | Very low | 145 Ų | 145 | 110 Ų | 110 | 88% | 0.879 | 85% | 0.846 | S | S | * | * | trans | -123.3 | 118 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 76 | G | 29.8 | Very low | 32.8 | Very low | 75 Ų | 75 | 108.1 Ų | 108.1 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 135.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 77 | G | 35.6 | Very low | 33.1 | Very low | 77 Ų | 77 | 105.1 Ų | 105.1 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 140.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 78 | P | 42 | Very low | 33.5 | Very low | 129 Ų | 129 | 108.7 Ų | 108.7 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 152.7 | 163 | 34.7 | -31.8 | 0 | 0 | 0 | 111.4 | ||
| 79 | A | 33.9 | Very low | 33.8 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 154.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 80 | G | 30.2 | Very low | 34.4 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -166.5 | 70.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 81 | L | 35 | Very low | 35 | Very low | 187 Ų | 187 | 117.3 Ų | 117.3 | 98% | 0.979 | 82% | 0.82 | S | S | * | * | trans | 68.4 | 164.8 | 157.9 | -53.5 | 177.1 | 0 | 0 | 0 | 117.9 | ||||
| 82 | A | 32.8 | Very low | 35.3 | Very low | 99 Ų | 99 | 118 Ų | 118 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -111.3 | 158.8 | -158.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 83 | A | 39 | Very low | 35.3 | Very low | 93 Ų | 93 | 115.7 Ų | 115.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 150.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 84 | P | 38 | Very low | 35.5 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 159.9 | 174.7 | 31.9 | -35.6 | 0 | 0 | 0 | 112.8 | ||
| 85 | D | 32.7 | Very low | 35.4 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 154.8 | -173.9 | -152 | -26.1 | 0 | 0 | 0 | 113.4 | G87 | D85-G87 PolarHBondContact OD1-N 3.21Š|
| 86 | L | 40.3 | Very low | 35.3 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -128.9 | 47.5 | 178.9 | -80.1 | 176.7 | 0 | 0 | 0 | 111.8 | ||||
| 87 | G | 37.5 | Very low | 35.7 | Very low | 62 Ų | 62 | 125.2 Ų | 125.2 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | trans | -99.1 | 75.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D85 | D85-G87 PolarHBondContact OD1-N 3.21Š| ||
| 88 | D | 38.1 | Very low | 35.6 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -167.3 | 90.6 | 149.5 | -112.8 | -28.7 | 0 | 0 | 0 | 113.2 | ||||
| 89 | F | 34.3 | Very low | 35 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 82% | 0.82 | 82% | 0.817 | S | S | * | * | trans | -140.1 | 130.5 | 163.6 | -82.2 | -80.8 | 0 | 0 | 0 | 109.4 | ||||
| 90 | P | 40.7 | Very low | 34.8 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 144.1 | -178.5 | 27.9 | -34.4 | 0 | 0 | 0 | 111.7 | ||
| 91 | P | 40.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 133.3 | -171.6 | 27 | -34.9 | 0 | 0 | 0 | 112.7 | G93 | P91-G93 PolarHBondContact O-N 2.93Š|
| 92 | A | 34.2 | Very low | 34.4 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 131.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 93 | G | 31 | Very low | 34.2 | Very low | 75 Ų | 75 | 146.7 Ų | 146.7 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P91 G95 | P91-G93 PolarHBondContact O-N 2.93Å; G93-G95 PolarHBondContact O-N 2.93Å |
| 94 | R | 35.3 | Very low | 34 | Very low | 254 Ų | 254 | 148.5 Ų | 148.5 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 133.4 | 179.4 | -64 | 179.3 | -178.6 | -90.4 | 0.4 | 110.8 | ||
| 95 | G | 29.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 153.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | G93 | G93-G95 PolarHBondContact O-N 2.93Š|
| 96 | D | 31.3 | Very low | 33.3 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -112.4 | 121 | 178.7 | -155.9 | -53.5 | 0 | 0 | 0 | 110.6 | K98 | D96-K98 PolarHBondContact O-N 2.95Š| ||
| 97 | P | 37.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -93.8 | 93 | -161.7 | 35.1 | -36.1 | 0 | 0 | 0 | 114.7 | ||||
| 98 | K | 33.5 | Very low | 32.2 | Very low | 210 Ų | 210 | 146.9 Ų | 146.9 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | -129.4 | 81.4 | 164.8 | -89.2 | 177.5 | 179.7 | 162.2 | 0 | 113.9 | D96 | D96-K98 PolarHBondContact O-N 2.95Š| ||
| 99 | G | 29.2 | Very low | 31.7 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -155.3 | 106.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | R101 | G99-R101 PolarHBondContact O-N 3.29Š| ||
| 100 | R | 30.3 | Very low | 31.4 | Very low | 258 Ų | 258 | 141.4 Ų | 141.4 | 97% | 0.974 | 82% | 0.822 | S | S | * | * | trans | -67.6 | 127.1 | 177.1 | -76.6 | -175.5 | 177.3 | -121.8 | 4.5 | 110 | ||||
| 101 | R | 26.6 | Very low | 31.2 | Very low | 210 Ų | 210 | 141.4 Ų | 141.4 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -61.1 | 144.6 | 163.7 | -68.5 | -178 | 179.2 | -91.2 | -1.2 | 110.4 | G99 | G99-R101 PolarHBondContact O-N 3.29Š| ||
| 102 | R | 29.9 | Very low | 30.7 | Very low | 249 Ų | 249 | 145.6 Ų | 145.6 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | trans | -143.5 | 94 | 157.7 | -97.5 | -168 | 171.6 | -174.1 | -2.2 | 107.4 | ||||
| 103 | D | 28.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 65% | 0.652 | 82% | 0.819 | S | S | * | * | trans | -78.8 | 154.1 | 168.1 | -61.7 | -74.7 | 0 | 0 | 0 | 109.5 | ||||
| 104 | P | 35.5 | Very low | 30.5 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -89.7 | 153.9 | -166.6 | 34.7 | -35.8 | 0 | 0 | 0 | 114.1 | ||||
| 105 | A | 28.8 | Very low | 30.1 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -139.5 | 149.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 106 | G | 27 | Very low | 29.9 | Very low | 71 Ų | 71 | 151.6 Ų | 151.6 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -122.7 | -168.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 107 | E | 26.3 | Very low | 29.7 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | 54 | 123.4 | 163.1 | -119.7 | 76.5 | 153.6 | 0 | 0 | 122.7 | ||||
| 108 | A | 28.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 50.8 | 112.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 109 | A | 26.9 | Very low | 28.9 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -161.5 | 144.3 | 131 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 110 | D | 29.1 | Very low | 28.8 | Very low | 126 Ų | 126 | 148 Ų | 148 | 67% | 0.674 | 81% | 0.812 | S | S | * | * | trans | -110.3 | 137.6 | 161.2 | 179 | 14.3 | 0 | 0 | 0 | 106.9 | R112 | D110-R112 PolarHBondContact OD1-N 2.87Š| ||
| 111 | P | 35.9 | Very low | 28.6 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -142.7 | 132.8 | 118.4 | 35.4 | -21.5 | 0 | 0 | 0 | 115.1 | |||||
| 112 | R | 30.2 | Very low | 28.8 | Very low | 217 Ų | 217 | 140 Ų | 140 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -61.8 | 148.4 | 163.3 | -55.1 | 173.3 | 176.4 | -165.9 | -5 | 111.8 | D110 | D110-R112 PolarHBondContact OD1-N 2.87Š| ||
| 113 | K | 29.7 | Very low | 29 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | 146.6 | 110.6 | 106.7 | -168.8 | 176.1 | -173.5 | -179.1 | 0 | 117.2 | |||||
| 114 | K | 30.3 | Very low | 29.1 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 78.4 | 135.9 | 145.2 | -80.5 | -172.6 | 174.3 | -175.6 | 0 | 123.7 | ||||
| 115 | K | 27.1 | Very low | 28.8 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | trans | 70.7 | 142.9 | 150.9 | -74.5 | -173.2 | 169.5 | -168.2 | 0 | 118.2 | ||||
| 116 | G | 25.6 | Very low | 28.8 | Very low | 67 Ų | 67 | 143.2 Ų | 143.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | 172 | -179.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 117 | A | 26.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | 68.9 | 129.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 118 | A | 26.7 | Very low | 28.8 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | 79.6 | 143.5 | 58.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 119 | E | 27.2 | Very low | 28.7 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | cis | -140.4 | -152.5 | 16.1 | -147.6 | -154.5 | 102.2 | 0 | 0 | 114.4 | ||||
| 120 | A | 27.1 | Very low | 28.6 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -97.7 | 158.9 | -155.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 121 | G | 27.2 | Very low | 28.5 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -147.2 | 129.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 122 | R | 30.1 | Very low | 28 | Very low | 219 Ų | 219 | 139.9 Ų | 139.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -139.2 | 155.4 | -161.6 | -165.7 | -172.6 | -175.5 | -161.3 | 3.9 | 112.8 | ||||
| 123 | R | 33.7 | Very low | 27.8 | Very low | 212 Ų | 212 | 138.3 Ų | 138.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 84.5 | 151.5 | 169 | -47.1 | 166.9 | -169.1 | -144.4 | 2.6 | 114 | ||||
| 124 | K | 31.6 | Very low | 27.7 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | cis | -161.4 | 134.4 | -22.2 | -113 | -175.3 | 176.1 | -172.8 | 0 | 108.7 | ||||
| 125 | K | 28.8 | Very low | 27.6 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | trans | 16.5 | 130 | 134.8 | -161.8 | -164 | -175.3 | -156.5 | 0 | 120.4 | E127 | K125-E127 WeakPolarHBondContact CE-OE2 3.44Å; K125-E127 IonicContact NZ-OE2 2.59Å; K125-E127 PolarHBondContact NZ-OE2 2.86Å | ||
| 126 | A | 28.6 | Very low | 27.9 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -146.6 | 159.3 | 146 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 127 | E | 27.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | trans | -133.2 | 144.5 | 179.7 | -68.6 | 165 | 73.8 | 0 | 0 | 110 | K125 | K125-E127 WeakPolarHBondContact CE-OE2 3.44Å; K125-E127 IonicContact NZ-OE2 2.59Å; K125-E127 PolarHBondContact NZ-OE2 2.86Å | ||
| 128 | A | 27 | Very low | 28 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 170.9 | 171.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 129 | A | 25.4 | Very low | 28.4 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | 178.8 | 112.9 | -65.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 130 | A | 25.4 | Very low | 28.4 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 55.7 | 142.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 131 | A | 26.5 | Very low | 28.4 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | 69.7 | 162.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 132 | A | 26 | Very low | 28.4 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | cis | -170.5 | 163.3 | -38.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 133 | M | 27.2 | Very low | 28.4 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | 77.6 | 147 | 158.1 | -58.8 | -55.9 | -174.3 | 0 | 0 | 123 | ||||
| 134 | A | 27.3 | Very low | 28.1 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | 88.3 | 135.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 135 | T | 27.1 | Very low | 27.9 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -116.5 | 161.7 | 173.8 | -22.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 136 | P | 33.3 | Very low | 28 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -139.4 | -177.6 | 124.2 | 35.6 | -21.3 | 0 | 0 | 0 | 113.4 | |||||
| 137 | A | 24.9 | Very low | 27.9 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -150.2 | 161.6 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 138 | R | 29.3 | Very low | 27.9 | Very low | 203 Ų | 203 | 128.7 Ų | 128.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | 64.8 | -178.7 | 152.7 | -104.6 | -173 | 151.5 | -176.4 | -5.5 | 117.3 | G140 | R138-G140 VanDerWaalsContact CZ-O 3.3Å; R138-G140 PolarHBondContact NE-O 3.19Å; R138-G140 PolarHBondContact NH2-O 2.76Å | ||
| 139 | P | 35.4 | Very low | 28.3 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | cis | -73.8 | -168.7 | 2.8 | 35.2 | -39.1 | 0 | 0 | 0 | 113.9 | ||||
| 140 | G | 26.7 | Very low | 28.5 | Very low | 37 Ų | 37 | 132.7 Ų | 132.7 | 38% | 0.381 | 79% | 0.793 | S | S | . | * | cis | -139.2 | -132.1 | -10.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R138 | R138-G140 VanDerWaalsContact CZ-O 3.3Å; R138-G140 PolarHBondContact NE-O 3.19Å; R138-G140 PolarHBondContact NH2-O 2.76Å | ||
| 141 | E | 27.6 | Very low | 28.8 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | cis | -158.6 | 161.1 | -8 | -62.9 | -177.5 | 116.9 | 0 | 0 | 104.6 | ||||
| 142 | A | 27.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | cis | 91.1 | 114.9 | 25.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 143 | E | 30.3 | Very low | 29.2 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | cis | -149.8 | 174 | 27.6 | -79.8 | -167.9 | 156.5 | 0 | 0 | 111.4 | ||||
| 144 | D | 27.4 | Very low | 29.4 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | cis | -155.6 | -158.9 | -22.5 | -177.2 | -114.7 | 0 | 0 | 0 | 108.6 | ||||
| 145 | A | 27.8 | Very low | 29.5 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -121.9 | 168 | -144.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 146 | A | 29.4 | Very low | 29.5 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -155.7 | 124.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 147 | E | 26.4 | Very low | 29.4 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -94.5 | 158.3 | -178.2 | -62.9 | -172.8 | 94.7 | 0 | 0 | 113.7 | ||||
| 148 | R | 28.5 | Very low | 29.5 | Very low | 232 Ų | 232 | 134 Ų | 134 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | 177.1 | 164 | 110.2 | -91.2 | -174.4 | 82.1 | -141.8 | 1.2 | 111.8 | |||||
| 149 | P | 35.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -103.9 | 161.2 | -135.6 | 38.3 | -38.4 | 0 | 0 | 0 | 116.4 | ||||
| 150 | L | 30 | Very low | 30.4 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 94% | 0.942 | 78% | 0.781 | S | S | * | * | trans | -116.5 | 161.7 | 155 | -112 | 81.6 | 0 | 0 | 0 | 110.8 | ||||
| 151 | Q | 31.5 | Very low | 31.3 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -102.6 | 171.2 | -164.8 | -66.2 | 157 | -10.1 | 0 | 0 | 112.6 | E153 | Q151-E153 PolarHBondContact O-N 3.39Š| ||
| 152 | D | 28.2 | Very low | 32.4 | Very low | 160 Ų | 160 | 129 Ų | 129 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -28.3 | 118.6 | -177.5 | -72 | -114.4 | 0 | 0 | 0 | 117.6 | P154 | D152-P154 WeakPolarHBondContact O-CD 3.49Š| ||
| 153 | E | 32.3 | Very low | 34.2 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -98.4 | 103 | 163.8 | -96.8 | -78.2 | 101.4 | 0 | 0 | 109.9 | Q151 A155 | Q151-E153 PolarHBondContact O-N 3.39Å; E153-A155 PolarHBondContact O-N 3.22Å | ||
| 154 | P | 31.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | -77.4 | 94 | -177 | 30 | -34.9 | 0 | 0 | 0 | 113 | D152 | D152-P154 WeakPolarHBondContact O-CD 3.49Š| ||
| 155 | A | 29 | Very low | 39.2 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | trans | 53.3 | 102.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | E153 | E153-A155 PolarHBondContact O-N 3.22Š| ||
| 156 | G | 27.3 | Very low | 41.9 | Very low | 82 Ų | 82 | 115.6 Ų | 115.6 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | trans | -27.4 | 127.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | G158 | G156-G158 PolarHBondContact O-N 2.94Š| ||
| 157 | A | 29.8 | Very low | 44.5 | Very low | 79 Ų | 79 | 110.9 Ų | 110.9 | 65% | 0.653 | 64% | 0.639 | S | S | * | * | trans | -64.5 | 114.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 158 | G | 28 | Very low | 47.5 | Very low | 51 Ų | 51 | 102.2 Ų | 102.2 | 53% | 0.526 | 60% | 0.598 | S | S | . | * | trans | -63.5 | 160 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | G156 G160 | G156-G158 PolarHBondContact O-N 2.94Å; G158-G160 PolarHBondContact O-N 2.83Å | ||
| 159 | P | 41 | Very low | 50.1 | Low | 149 Ų | 149 | 92.1 Ų | 92.1 | 97% | 0.968 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 84.1 | -170.6 | 32.1 | -36.7 | 0 | 0 | 0 | 112.6 | ||
| 160 | G | 42 | Very low | 52.6 | Low | 74 Ų | 74 | 88.3 Ų | 88.3 | 76% | 0.763 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -177.8 | -3.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | G158 G162 | G158-G160 PolarHBondContact O-N 2.83Å; G160-G162 PolarHBondContact O-N 2.77Å |
| 161 | K | 46.6 | Very low | 55 | Low | 177 Ų | 177 | 85.2 Ų | 85.2 | 77% | 0.77 | 52% | 0.517 | S | S | * | . | trans | -65.2 | 103.2 | -176.8 | -72.3 | -173.9 | 177.1 | 179.7 | 0 | 111.8 | ||||
| 162 | G | 50.8 | Low | 57.3 | Low | 49 Ų | 49 | 77.1 Ų | 77.1 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | trans | -58.1 | 134.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G160 F164 | G160-G162 PolarHBondContact O-N 2.77Å; G162-F164 PolarHBondContact O-N 3.21Å | ||
| 163 | R | 65.3 | Low | 59.7 | Low | 140 Ų | 140 | 75.5 Ų | 75.5 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | trans | -78.8 | 110.5 | -179.8 | -65.1 | -179.4 | 65.2 | 124 | 4.3 | 109 | L165 S214 | R163-L165 WeakPolarHBondContact O-CB 3.42Å; R163-L165 PolarHBondContact O-N 3.21Å; R163-S214 PolarHBondContact NH2-OG 3.1Å | ||
| 164 | F | 82 | Confident | 61.2 | Low | 71 Ų | 71 | 73.4 Ų | 73.4 | 31% | 0.311 | 46% | 0.464 | S | S | . | . | trans | -67.9 | 94.3 | 173.9 | -47.8 | -59.7 | 0 | 0 | 0 | 108.7 | G162 S214 F215 A218 L221 | G162-F164 PolarHBondContact O-N 3.21Å; F164-S214 CarbonylContact O-C 3.56Å; F164-S214 WeakPolarHBondContact O-CA 3.4Å; F164-F215 HydrophobicContact CB-CB 4.28Å; F164-F215 PolarHBondContact O-N 3.37Å; F164-A218 HydrophobicContact CD1-CB 3.86Å; F164-A218 HydrophobicContact CE1-CB 3.56Å; F164-A218 HydrophobicContact CZ-CB 4.06Å; F164-L221 HydrophobicContact CB-CB 4.07Å; F164-L221 HydrophobicContact CB-CD2 3.92Å; F164-L221 HydrophobicContact CD1-CD2 4.46Å | ||
| 165 | L | 80.5 | Confident | 63 | Low | 23 Ų | 23 | 72.2 Ų | 72.2 | 12% | 0.12 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 146.8 | -163.8 | -161.9 | 147.6 | 0 | 0 | 0 | 110.6 | R163 D212 V213 R246 | R163-L165 WeakPolarHBondContact O-CB 3.42Å; R163-L165 PolarHBondContact O-N 3.21Å; L165-D212 HydrophobicContact CD2-CB 4.37Å; L165-V213 CarbonylContact C-O 3.57Å; L165-V213 VanDerWaalsContact CA-O 3.29Å; L165-V213 WeakPolarHBondContact CA-O 3.36Å; L165-V213 WeakPolarHBondContact CG-O 3.38Å; L165-R246 HydrophobicContact CD2-CB 4.32Å; L165-R246 VanDerWaalsContact CD2-NH1 3.29Å; L165-R246 CarbonylContact O-C 3.44Å; L165-R246 VanDerWaalsContact O-CA 3.32Å; L165-R246 WeakPolarHBondContact O-CA 3.44Å; L165-R246 VanDerWaalsContact O-CB 3.27Å; L165-R246 WeakPolarHBondContact O-CB 3.11Å; L165-R246 PolarHBondContact O-N 3.44Å; L165-R246 VanDerWaalsContact O-N 3.1Å |
| 166 | V | 84.6 | Confident | 65.4 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.7 | 169.4 | 156.7 | 0 | 0 | 0 | 0 | 107.7 | I168 D212 V213 F215 L221 F224 L225 V243 | V166-I168 HydrophobicContact CG1-CG1 3.82Å; V166-D212 CarbonylContact O-C 3.54Å; V166-V213 HydrophobicContact CB-CB 4.36Å; V166-V213 PolarHBondContact N-O 2.84Å; V166-V213 PolarHBondContact O-N 3.1Å; V166-F215 HydrophobicContact CB-CE2 4.11Å; V166-F215 HydrophobicContact CG2-CE2 3.89Å; V166-L221 HydrophobicContact CG2-CD1 3.52Å; V166-F224 HydrophobicContact CB-CE1 4.29Å; V166-F224 HydrophobicContact CG1-CE1 3.76Å; V166-F224 HydrophobicContact CG1-CZ 4.22Å; V166-F224 HydrophobicContact CG2-CD1 3.87Å; V166-F224 HydrophobicContact CG2-CE1 3.89Å; V166-L225 HydrophobicContact CG2-CD2 4.03Å; V166-V243 HydrophobicContact CG1-CG1 3.83Å |
| 167 | R | 84.3 | Confident | 67.9 | Low | 6 Ų | 6 | 68.6 Ų | 68.6 | 2% | 0.023 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.7 | 160.6 | 175.5 | 169.2 | -69.9 | -169.2 | -19.2 | 108.9 | C169 E210 F211 D212 L244 T253 E299 | R167-C169 VanDerWaalsContact CD-SG 3.57Å; R167-C169 VanDerWaalsContact CG-SG 3.56Å; R167-E210 IonicContact CZ-OE2 2.83Å; R167-E210 IonicContact NE-OE2 3.46Å; R167-E210 IonicContact NH1-OE2 3.85Å; R167-E210 PolarHBondContact NH1-OE2 3.16Å; R167-E210 IonicContact NH2-OE2 3.49Å; R167-E210 PolarHBondContact NH2-OE2 3.19Å; R167-F211 WeakPolarHBondContact CA-O 3.43Å; R167-D212 WeakPolarHBondContact CB-OD1 3.08Å; R167-D212 IonicContact CZ-OD1 2.85Å; R167-D212 IonicContact CZ-OD2 3.8Å; R167-D212 IonicContact NE-OD1 3.04Å; R167-D212 PolarHBondContact NE-OD1 2.91Å; R167-D212 IonicContact NH2-OD1 3Å; R167-D212 PolarHBondContact NH2-OD1 3.47Å; R167-D212 IonicContact NH2-OD2 2.77Å; R167-D212 PolarHBondContact NH2-OD2 3.37Å; R167-D212 VanDerWaalsContact NH2-OD2 3.07Å; R167-L244 HydrophobicContact CB-CB 4.29Å; R167-L244 PolarHBondContact N-O 2.75Å; R167-L244 PolarHBondContact O-N 3.47Å; R167-T253 PolarHBondContact NH1-OG1 3.25Å; R167-T253 PolarHBondContact NH2-OG1 3.49Å; R167-E299 IonicContact CZ-OE1 3.74Å; R167-E299 IonicContact NH1-OE1 3.98Å; R167-E299 PolarHBondContact NH1-OE1 3.42Å |
| 168 | I | 88.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.7 | 167.4 | -43.9 | -174.3 | 0 | 0 | 0 | 106.5 | V166 V183 I188 F211 V213 F224 W238 F241 V243 | V166-I168 HydrophobicContact CG1-CG1 3.82Å; I168-V183 HydrophobicContact CD1-CG1 3.96Å; I168-I188 HydrophobicContact CD1-CG1 4.45Å; I168-F211 HydrophobicContact CB-CB 4.33Å; I168-F211 PolarHBondContact N-O 2.82Å; I168-F211 PolarHBondContact O-N 2.86Å; I168-V213 HydrophobicContact CD1-CG2 3.96Å; I168-V213 HydrophobicContact CG1-CG2 4.13Å; I168-F224 HydrophobicContact CD1-CZ 4.1Å; I168-W238 HydrophobicContact CD1-CH2 4.42Å; I168-W238 HydrophobicContact CD1-CZ3 4.44Å; I168-W238 HydrophobicContact CG2-CZ3 4.24Å; I168-F241 HydrophobicContact CG2-CB 4.36Å; I168-F241 HydrophobicContact CG2-CD1 3.7Å; I168-F241 HydrophobicContact CG2-CE1 4.38Å; I168-F241 HydrophobicContact CG2-CG 4.41Å; I168-V243 HydrophobicContact CG1-CG2 4.24Å; I168-V243 HydrophobicContact CG2-CG2 4.22Å |
| 169 | C | 83.4 | Confident | 73.1 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 14% | 0.135 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.9 | 178.2 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | R167 R209 V242 | R167-C169 VanDerWaalsContact CD-SG 3.57Å; R167-C169 VanDerWaalsContact CG-SG 3.56Å; C169-R209 WeakPolarHBondContact CA-O 3.45Å; C169-V242 PolarHBondContact N-O 2.93Å; C169-V242 PolarHBondContact O-N 2.73Å |
| 170 | F | 87.3 | Confident | 75.4 | Confident | 20 Ų | 20 | 66 Ų | 66 | 9% | 0.088 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 128 | 169.2 | -176 | -107.9 | 0 | 0 | 0 | 110.2 | G172 C177 P178 R209 N240 F241 | F170-G172 VanDerWaalsContact CE1-C 3.42Å; F170-G172 VanDerWaalsContact CE1-CA 3.43Å; F170-C177 HydrophobicContact CD1-CB 4.13Å; F170-C177 HydrophobicContact CE1-CB 4.41Å; F170-P178 HydrophobicContact CD2-CG 4.21Å; F170-P178 HydrophobicContact CE2-CG 4.31Å; F170-R209 HydrophobicContact CB-CB 4.2Å; F170-R209 HydrophobicContact CD1-CG 4.41Å; F170-R209 PolarHBondContact N-O 3.42Å; F170-R209 WeakPolarHBondContact O-CB 3.27Å; F170-N240 CarbonylContact C-O 3.57Å; F170-N240 WeakPolarHBondContact CA-O 3.21Å; F170-N240 HydrophobicContact CD2-CB 4.22Å; F170-N240 HydrophobicContact CE2-CB 3.82Å; F170-N240 HydrophobicContact CZ-CB 4.44Å; F170-F241 HydrophobicContact CB-CD1 4.18Å; F170-F241 HydrophobicContact CB-CE1 4.01Å; F170-F241 HydrophobicContact CD2-CD1 4.06Å; F170-F241 HydrophobicContact CD2-CD2 4.35Å; F170-F241 AromaticContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE2 4.08Å; F170-F241 HydrophobicContact CD2-CG 4.37Å; F170-F241 AromaticContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CE2-CE2 4.41Å; F170-F241 HydrophobicContact CE2-CZ 4.45Å; F170-F241 HydrophobicContact CG-CE1 4.35Å |
| 171 | Q | 82.2 | Confident | 77.6 | Confident | 114 Ų | 114 | 67.3 Ų | 67.3 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | trans | -97.7 | -19 | -175.9 | -62.4 | -159.6 | -17.3 | 0 | 0 | 113.7 | R209 N240 V242 | Q171-R209 PolarHBondContact O-NH1 2.83Å; Q171-R209 VanDerWaalsContact O-NH1 3.15Å; Q171-N240 PolarHBondContact N-O 3.07Å; Q171-V242 HydrophobicContact CG-CG2 4.37Å; Q171-V242 VanDerWaalsContact NE2-CG2 3.29Å | ||
| 172 | G | 78.7 | Confident | 79.6 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -66.3 | 174 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F170 R209 | F170-G172 VanDerWaalsContact CE1-C 3.42Å; F170-G172 VanDerWaalsContact CE1-CA 3.43Å; G172-R209 WeakPolarHBondContact O-CD 3.44Å; G172-R209 PolarHBondContact O-NH1 3.03Å |
| 173 | D | 77.8 | Confident | 81.3 | Confident | 127 Ų | 127 | 60.6 Ų | 60.6 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | trans | -58.8 | 155.1 | -173.7 | -60.4 | -62.5 | 0 | 0 | 0 | 114 | G175 S176 C177 | D173-G175 VanDerWaalsContact C-N 3.31Å; D173-G175 PolarHBondContact O-N 3.15Å; D173-S176 PolarHBondContact N-OG 3.04Å; D173-S176 PolarHBondContact O-N 2.97Å; D173-S176 VanDerWaalsContact O-N 3.08Å; D173-S176 PolarHBondContact O-OG 2.86Å; D173-S176 VanDerWaalsContact O-OG 3.08Å; D173-C177 PolarHBondContact O-N 2.71Å | ||
| 174 | E | 65.6 | Low | 82.5 | Confident | 141 Ų | 141 | 55.1 Ų | 55.1 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -63.9 | -37.4 | -174 | -164.2 | 166.6 | 140.6 | 0 | 0 | 112.6 | S176 C177 | E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.33Å; E174-C177 VanDerWaalsContact O-CB 3.31Å; E174-C177 WeakPolarHBondContact O-CB 3.29Å; E174-C177 PolarHBondContact O-N 2.83Å |
| 175 | G | 69.1 | Low | 82.8 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 91% | 0.907 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -72.9 | -13.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D173 | D173-G175 VanDerWaalsContact C-N 3.31Å; D173-G175 PolarHBondContact O-N 3.15Å |
| 176 | S | 78.3 | Confident | 83.1 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 47% | 0.469 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -104.5 | 6.2 | 173.2 | 60.6 | 0 | 0 | 0 | 0 | 113 | D173 E174 P178 | D173-S176 PolarHBondContact N-OG 3.04Å; D173-S176 PolarHBondContact O-N 2.97Å; D173-S176 VanDerWaalsContact O-N 3.08Å; D173-S176 PolarHBondContact O-OG 2.86Å; D173-S176 VanDerWaalsContact O-OG 3.08Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.33Å; S176-P178 VanDerWaalsContact O-CD 3.27Å; S176-P178 WeakPolarHBondContact O-CD 3.2Å; S176-P178 VanDerWaalsContact O-N 3.16Å |
| 177 | C | 79.8 | Confident | 83.3 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 116.3 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | F170 D173 E174 R209 | F170-C177 HydrophobicContact CD1-CB 4.13Å; F170-C177 HydrophobicContact CE1-CB 4.41Å; D173-C177 PolarHBondContact O-N 2.71Å; E174-C177 VanDerWaalsContact O-CB 3.31Å; E174-C177 WeakPolarHBondContact O-CB 3.29Å; E174-C177 PolarHBondContact O-N 2.83Å; C177-R209 HydrophobicContact CB-CG 4.08Å |
| 178 | P | 82.3 | Confident | 83.5 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 161.7 | -178.2 | 25.7 | -30.5 | 0 | 0 | 0 | 111.8 | F170 S176 F182 F211 F241 | F170-P178 HydrophobicContact CD2-CG 4.21Å; F170-P178 HydrophobicContact CE2-CG 4.31Å; S176-P178 VanDerWaalsContact O-CD 3.27Å; S176-P178 WeakPolarHBondContact O-CD 3.2Å; S176-P178 VanDerWaalsContact O-N 3.16Å; P178-F182 HydrophobicContact CB-CB 4.06Å; P178-F182 HydrophobicContact CB-CD1 3.77Å; P178-F182 HydrophobicContact CB-CE1 4.48Å; P178-F182 HydrophobicContact CB-CG 3.98Å; P178-F182 HydrophobicContact CG-CD1 4.11Å; P178-F211 WeakPolarHBondContact O-CZ 3.29Å; P178-F241 HydrophobicContact CG-CE1 4.14Å; P178-F241 HydrophobicContact CG-CE2 4.32Å; P178-F241 HydrophobicContact CG-CZ 3.45Å; P178-F241 VanDerWaalsContact CG-CZ 3.45Å |
| 179 | T | 86.1 | Confident | 83.6 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 53% | 0.534 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 159.5 | -179.4 | 64.2 | 0 | 0 | 0 | 0 | 112 | D181 F182 V183 | T179-D181 PolarHBondContact O-N 2.77Å; T179-D181 VanDerWaalsContact O-N 3.09Å; T179-F182 WeakPolarHBondContact O-CB 3.16Å; T179-F182 PolarHBondContact O-N 3.08Å; T179-F182 VanDerWaalsContact O-N 3.12Å; T179-F182 PolarHBondContact OG1-N 3.34Å; T179-V183 PolarHBondContact O-N 3.21Å; T179-V183 VanDerWaalsContact O-N 3.16Å |
| 180 | R | 87.9 | Confident | 83.9 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -41.9 | -42.3 | 165.6 | 174.9 | -170.7 | 171.2 | -86.7 | 4.3 | 112.7 | V183 V184 V202 | R180-V183 PolarHBondContact O-N 2.97Å; R180-V184 HydrophobicContact CG-CG2 4.34Å; R180-V184 WeakPolarHBondContact O-CG2 3.33Å; R180-V184 PolarHBondContact O-N 3.07Å; R180-V202 HydrophobicContact CG-CG1 4.44Å |
| 181 | D | 88.1 | Confident | 84 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.5 | -26.1 | -170.8 | -54.1 | -32.1 | 0 | 0 | 0 | 112.3 | T179 G185 | T179-D181 PolarHBondContact O-N 2.77Å; T179-D181 VanDerWaalsContact O-N 3.09Å; D181-G185 WeakPolarHBondContact O-CA 3.37Å; D181-G185 PolarHBondContact O-N 3.46Å |
| 182 | F | 88.4 | Confident | 84.3 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -47.9 | 163.4 | 179.6 | -85.9 | 0 | 0 | 0 | 110.8 | P178 T179 V184 G185 A186 L187 F241 | P178-F182 HydrophobicContact CB-CB 4.06Å; P178-F182 HydrophobicContact CB-CD1 3.77Å; P178-F182 HydrophobicContact CB-CE1 4.48Å; P178-F182 HydrophobicContact CB-CG 3.98Å; P178-F182 HydrophobicContact CG-CD1 4.11Å; T179-F182 WeakPolarHBondContact O-CB 3.16Å; T179-F182 PolarHBondContact O-N 3.08Å; T179-F182 VanDerWaalsContact O-N 3.12Å; T179-F182 PolarHBondContact OG1-N 3.34Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.14Å; F182-G185 PolarHBondContact O-N 3.48Å; F182-A186 HydrophobicContact CD1-CB 4.26Å; F182-A186 HydrophobicContact CD2-CB 4Å; F182-A186 HydrophobicContact CE1-CB 4.07Å; F182-A186 HydrophobicContact CE2-CB 3.82Å; F182-A186 HydrophobicContact CG-CB 4.22Å; F182-A186 HydrophobicContact CZ-CB 3.85Å; F182-A186 WeakPolarHBondContact O-CA 3.4Å; F182-A186 WeakPolarHBondContact O-CB 3.14Å; F182-A186 PolarHBondContact O-N 2.84Å; F182-L187 HydrophobicContact CE1-CD2 4.07Å; F182-L187 HydrophobicContact CE1-CG 4.28Å; F182-F241 HydrophobicContact CD1-CZ 4.28Å; F182-F241 AromaticContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CZ 4.04Å |
| 183 | V | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -61.2 | -41.3 | 179.7 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | I168 T179 R180 L187 I188 F211 F241 | I168-V183 HydrophobicContact CD1-CG1 3.96Å; T179-V183 PolarHBondContact O-N 3.21Å; T179-V183 VanDerWaalsContact O-N 3.16Å; R180-V183 PolarHBondContact O-N 2.97Å; V183-L187 HydrophobicContact CG1-CD1 4.36Å; V183-L187 HydrophobicContact CG2-CD1 4.32Å; V183-L187 WeakPolarHBondContact O-CB 3.27Å; V183-L187 PolarHBondContact O-N 3.18Å; V183-I188 HydrophobicContact CG1-CD1 4.47Å; V183-I188 WeakPolarHBondContact O-CG1 3.45Å; V183-I188 PolarHBondContact O-N 2.78Å; V183-I188 VanDerWaalsContact O-N 3.16Å; V183-F211 HydrophobicContact CB-CD1 4.13Å; V183-F211 HydrophobicContact CB-CE1 4.26Å; V183-F211 HydrophobicContact CB-CG 4.45Å; V183-F211 HydrophobicContact CG1-CB 4.27Å; V183-F211 HydrophobicContact CG1-CD1 4.19Å; V183-F211 HydrophobicContact CG1-CG 4.12Å; V183-F211 HydrophobicContact CG2-CD1 3.92Å; V183-F211 HydrophobicContact CG2-CD2 4.06Å; V183-F211 HydrophobicContact CG2-CE1 3.71Å; V183-F211 HydrophobicContact CG2-CE2 3.88Å; V183-F211 HydrophobicContact CG2-CG 4.1Å; V183-F211 HydrophobicContact CG2-CZ 3.71Å; V183-F241 HydrophobicContact CG2-CE1 4.03Å; V183-F241 HydrophobicContact CG2-CZ 4.21Å |
| 184 | V | 89.4 | Confident | 85.3 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -67.9 | -59.8 | 173.6 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | R180 F182 I188 L189 V202 | R180-V184 HydrophobicContact CG-CG2 4.34Å; R180-V184 WeakPolarHBondContact O-CG2 3.33Å; R180-V184 PolarHBondContact O-N 3.07Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.14Å; V184-I188 PolarHBondContact O-N 2.83Å; V184-L189 HydrophobicContact CG1-CD1 3.97Å; V184-L189 HydrophobicContact CG1-CG 4.09Å; V184-L189 WeakPolarHBondContact O-CG 3.38Å; V184-L189 PolarHBondContact O-N 2.83Å; V184-V202 HydrophobicContact CG2-CB 4.09Å; V184-V202 HydrophobicContact CG2-CG1 4.11Å; V184-V202 HydrophobicContact CG2-CG2 3.96Å |
| 185 | G | 88.6 | Confident | 86.4 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -72 | -44.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D181 F182 R190 | D181-G185 WeakPolarHBondContact O-CA 3.37Å; D181-G185 PolarHBondContact O-N 3.46Å; F182-G185 PolarHBondContact O-N 3.48Å; G185-R190 WeakPolarHBondContact O-CB 3.47Å; G185-R190 VanDerWaalsContact O-CG 3.3Å; G185-R190 WeakPolarHBondContact O-CG 3.48Å; G185-R190 PolarHBondContact O-N 2.83Å; G185-R190 PolarHBondContact O-NE 2.81Å |
| 186 | A | 87.1 | Confident | 87.4 | Confident | 7 Ų | 7 | 51 Ų | 51 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -78.9 | -53.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F182 S191 | F182-A186 HydrophobicContact CD1-CB 4.26Å; F182-A186 HydrophobicContact CD2-CB 4Å; F182-A186 HydrophobicContact CE1-CB 4.07Å; F182-A186 HydrophobicContact CE2-CB 3.82Å; F182-A186 HydrophobicContact CG-CB 4.22Å; F182-A186 HydrophobicContact CZ-CB 3.85Å; F182-A186 WeakPolarHBondContact O-CA 3.4Å; F182-A186 WeakPolarHBondContact O-CB 3.14Å; F182-A186 PolarHBondContact O-N 2.84Å; A186-S191 PolarHBondContact O-N 3.06Å |
| 187 | L | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -82.7 | -55.9 | -170.4 | -47.6 | -176.4 | 0 | 0 | 0 | 112 | F182 V183 S191 I192 C237 W238 F241 | F182-L187 HydrophobicContact CE1-CD2 4.07Å; F182-L187 HydrophobicContact CE1-CG 4.28Å; V183-L187 HydrophobicContact CG1-CD1 4.36Å; V183-L187 HydrophobicContact CG2-CD1 4.32Å; V183-L187 WeakPolarHBondContact O-CB 3.27Å; V183-L187 PolarHBondContact O-N 3.18Å; L187-S191 VanDerWaalsContact O-CB 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.18Å; L187-S191 PolarHBondContact O-N 3.28Å; L187-I192 WeakPolarHBondContact O-CG1 3.26Å; L187-I192 PolarHBondContact O-N 2.85Å; L187-C237 HydrophobicContact CD2-CB 3.95Å; L187-C237 WeakPolarHBondContact CD2-O 3.16Å; L187-W238 HydrophobicContact CB-CH2 3.7Å; L187-W238 HydrophobicContact CB-CZ2 3.75Å; L187-W238 HydrophobicContact CB-CZ3 4.26Å; L187-W238 HydrophobicContact CD1-CE3 4.24Å; L187-W238 HydrophobicContact CD1-CH2 4.22Å; L187-W238 HydrophobicContact CD1-CZ3 3.93Å; L187-W238 HydrophobicContact CD2-CD2 4.39Å; L187-W238 HydrophobicContact CG-CH2 4.44Å; L187-F241 HydrophobicContact CD1-CD1 4.03Å; L187-F241 HydrophobicContact CD1-CD2 3.99Å; L187-F241 HydrophobicContact CD1-CE1 3.84Å; L187-F241 HydrophobicContact CD1-CE2 3.81Å; L187-F241 HydrophobicContact CD1-CG 4.05Å; L187-F241 HydrophobicContact CD1-CZ 3.69Å; L187-F241 HydrophobicContact CD2-CE2 4.42Å |
| 188 | I | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -77.5 | -47 | -171.5 | -54.4 | 168.4 | 0 | 0 | 0 | 111.8 | I168 V183 V184 G193 M194 I199 V202 V213 F224 | I168-I188 HydrophobicContact CD1-CG1 4.45Å; V183-I188 HydrophobicContact CG1-CD1 4.47Å; V183-I188 WeakPolarHBondContact O-CG1 3.45Å; V183-I188 PolarHBondContact O-N 2.78Å; V183-I188 VanDerWaalsContact O-N 3.16Å; V184-I188 PolarHBondContact O-N 2.83Å; I188-G193 PolarHBondContact O-N 3.45Å; I188-M194 HydrophobicContact CG2-CB 4.24Å; I188-M194 HydrophobicContact CG2-CG 4.48Å; I188-M194 HydrophobicContact CG2-SD 4.29Å; I188-M194 PolarHBondContact O-N 3.44Å; I188-I199 HydrophobicContact CG2-CD1 3.64Å; I188-I199 HydrophobicContact CG2-CG1 4.38Å; I188-V202 HydrophobicContact CD1-CG2 4.06Å; I188-V213 HydrophobicContact CD1-CG1 4.01Å; I188-V213 HydrophobicContact CD1-CG2 3.71Å; I188-F224 HydrophobicContact CG1-CE2 4.24Å |
| 189 | L | 90.3 | Very high | 88.6 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -81.1 | -50.2 | -175.8 | -58.6 | -176 | 0 | 0 | 0 | 112.6 | V184 G193 M194 P196 I199 | V184-L189 HydrophobicContact CG1-CD1 3.97Å; V184-L189 HydrophobicContact CG1-CG 4.09Å; V184-L189 WeakPolarHBondContact O-CG 3.38Å; V184-L189 PolarHBondContact O-N 2.83Å; L189-G193 VanDerWaalsContact O-CA 3.27Å; L189-G193 WeakPolarHBondContact O-CA 3.47Å; L189-G193 PolarHBondContact O-N 2.85Å; L189-M194 WeakPolarHBondContact CD2-O 3.32Å; L189-P196 HydrophobicContact CD1-CG 4.19Å; L189-P196 HydrophobicContact CD2-CG 3.83Å; L189-I199 HydrophobicContact CD2-CD1 4.13Å |
| 190 | R | 89.1 | Confident | 88.7 | Confident | 189 Ų | 189 | 54.4 Ų | 54.4 | 71% | 0.713 | 29% | 0.285 | S | S | * | . | I | π-helix | trans | -84.3 | -47.6 | -177.3 | -70.5 | -173.7 | -54.4 | -136.2 | 4.3 | 114.3 | G185 | G185-R190 WeakPolarHBondContact O-CB 3.47Å; G185-R190 VanDerWaalsContact O-CG 3.3Å; G185-R190 WeakPolarHBondContact O-CG 3.48Å; G185-R190 PolarHBondContact O-N 2.83Å; G185-R190 PolarHBondContact O-NE 2.81Å |
| 191 | S | 88.5 | Confident | 88.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -73.6 | -59.1 | -177.8 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | A186 L187 G193 K231 E235 W238 | A186-S191 PolarHBondContact O-N 3.06Å; L187-S191 VanDerWaalsContact O-CB 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.18Å; L187-S191 PolarHBondContact O-N 3.28Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 2.78Å; S191-K231 WeakPolarHBondContact O-CD 3.5Å; S191-K231 VanDerWaalsContact O-CE 3.27Å; S191-K231 WeakPolarHBondContact O-CE 3.48Å; S191-K231 PolarHBondContact O-NZ 3.15Å; S191-E235 WeakPolarHBondContact CB-OE2 3.31Å; S191-E235 PolarHBondContact OG-OE2 3.48Å; S191-W238 PolarHBondContact OG-NE1 3.09Å |
| 192 | I | 89.7 | Confident | 88.6 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -72.5 | -23.5 | 179.9 | -54.1 | -55.6 | 0 | 0 | 0 | 112.6 | L187 M194 F224 V227 W238 | L187-I192 WeakPolarHBondContact O-CG1 3.26Å; L187-I192 PolarHBondContact O-N 2.85Å; I192-M194 HydrophobicContact CB-CG 4.13Å; I192-M194 HydrophobicContact CG2-CG 3.55Å; I192-M194 HydrophobicContact CG2-SD 3.99Å; I192-F224 HydrophobicContact CB-CD2 4.29Å; I192-F224 HydrophobicContact CG1-CD2 3.89Å; I192-F224 HydrophobicContact CG1-CE2 3.75Å; I192-F224 HydrophobicContact CG2-CB 4.47Å; I192-F224 HydrophobicContact CG2-CD2 3.88Å; I192-F224 HydrophobicContact CG2-CG 4.47Å; I192-V227 HydrophobicContact CB-CG1 4.41Å; I192-V227 HydrophobicContact CD1-CB 4.37Å; I192-V227 HydrophobicContact CD1-CG1 3.97Å; I192-V227 HydrophobicContact CG2-CB 4.05Å; I192-V227 HydrophobicContact CG2-CG1 4Å; I192-W238 HydrophobicContact CD1-CH2 4.43Å; I192-W238 HydrophobicContact CD1-CZ2 3.62Å; I192-W238 HydrophobicContact CG1-CH2 4.41Å; I192-W238 HydrophobicContact CG1-CZ2 3.78Å |
| 193 | G | 87.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | trans | 74.7 | 33.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I188 L189 S191 | I188-G193 PolarHBondContact O-N 3.45Å; L189-G193 VanDerWaalsContact O-CA 3.27Å; L189-G193 WeakPolarHBondContact O-CA 3.47Å; L189-G193 PolarHBondContact O-N 2.85Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 2.78Å | ||
| 194 | M | 89.3 | Confident | 88.3 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | trans | -91.9 | 148.3 | 178.2 | -56.3 | -165.4 | 77.3 | 0 | 0 | 112.6 | I188 L189 I192 D198 F215 K220 F224 | I188-M194 HydrophobicContact CG2-CB 4.24Å; I188-M194 HydrophobicContact CG2-CG 4.48Å; I188-M194 HydrophobicContact CG2-SD 4.29Å; I188-M194 PolarHBondContact O-N 3.44Å; L189-M194 WeakPolarHBondContact CD2-O 3.32Å; I192-M194 HydrophobicContact CB-CG 4.13Å; I192-M194 HydrophobicContact CG2-CG 3.55Å; I192-M194 HydrophobicContact CG2-SD 3.99Å; M194-D198 HydrophobicContact CE-CB 4.11Å; M194-F215 HydrophobicContact CE-CD1 3.88Å; M194-F215 HydrophobicContact CE-CE1 3.84Å; M194-F215 HydrophobicContact SD-CD1 4.18Å; M194-F215 HydrophobicContact SD-CE1 3.52Å; M194-F215 VanDerWaalsContact SD-CE1 3.52Å; M194-F215 HydrophobicContact SD-CZ 4.27Å; M194-K220 HydrophobicContact CE-CB 3.8Å; M194-K220 HydrophobicContact CE-CD 4.21Å; M194-K220 WeakPolarHBondContact CE-O 3.34Å; M194-F224 HydrophobicContact CE-CB 4.44Å; M194-F224 HydrophobicContact SD-CB 3.8Å; M194-F224 HydrophobicContact SD-CD2 3.68Å; M194-F224 HydrophobicContact SD-CG 4.21Å | ||
| 195 | D | 89.1 | Confident | 87.9 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | trans | -74.9 | 144.5 | 171.5 | -74.4 | -69.2 | 0 | 0 | 0 | 111.9 | S197 D198 | D195-S197 PolarHBondContact O-N 2.85Å; D195-S197 VanDerWaalsContact O-N 3.1Å; D195-D198 WeakPolarHBondContact O-CB 3.27Å; D195-D198 PolarHBondContact O-N 2.79Å | ||
| 196 | P | 89.9 | Confident | 87 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -54.8 | -29.6 | 170.3 | -23.9 | 33.4 | 0 | 0 | 0 | 112.9 | L189 D198 I199 | L189-P196 HydrophobicContact CD1-CG 4.19Å; L189-P196 HydrophobicContact CD2-CG 3.83Å; P196-D198 VanDerWaalsContact C-N 3.31Å; P196-D198 PolarHBondContact O-N 3.44Å; P196-I199 WeakPolarHBondContact O-CB 3.38Å; P196-I199 PolarHBondContact O-N 2.84Å |
| 197 | S | 88.4 | Confident | 86.1 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 62% | 0.622 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.9 | -32.5 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | D195 I199 R216 | D195-S197 PolarHBondContact O-N 2.85Å; D195-S197 VanDerWaalsContact O-N 3.1Å; S197-I199 PolarHBondContact O-N 3.39Å; S197-R216 WeakPolarHBondContact O-CD 3.2Å; S197-R216 PolarHBondContact O-NE 2.9Å |
| 198 | D | 88.3 | Confident | 85.6 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -72.8 | -20.6 | 178.5 | -67.2 | -40.9 | 0 | 0 | 0 | 113 | M194 D195 P196 F215 R216 K220 | M194-D198 HydrophobicContact CE-CB 4.11Å; D195-D198 WeakPolarHBondContact O-CB 3.27Å; D195-D198 PolarHBondContact O-N 2.79Å; P196-D198 VanDerWaalsContact C-N 3.31Å; P196-D198 PolarHBondContact O-N 3.44Å; D198-F215 WeakPolarHBondContact O-CA 3.08Å; D198-R216 PolarHBondContact O-N 2.92Å; D198-K220 HydrophobicContact CB-CB 4.35Å; D198-K220 HydrophobicContact CB-CD 4.15Å; D198-K220 HydrophobicContact CB-CG 4.09Å; D198-K220 VanDerWaalsContact CG-CD 3.42Å; D198-K220 WeakPolarHBondContact OD1-CD 3.19Å; D198-K220 WeakPolarHBondContact OD1-CE 3.43Å; D198-K220 IonicContact OD1-NZ 2.95Å; D198-K220 PolarHBondContact OD1-NZ 2.77Å; D198-K220 WeakPolarHBondContact OD2-CD 3.42Å; D198-K220 WeakPolarHBondContact OD2-CE 3.35Å; D198-K220 IonicContact OD2-NZ 2.69Å; D198-K220 PolarHBondContact OD2-NZ 3.42Å |
| 199 | I | 89.4 | Confident | 85.2 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.5 | -176.9 | -50.9 | 174.4 | 0 | 0 | 0 | 108.5 | I188 L189 P196 S197 V202 R216 | I188-I199 HydrophobicContact CG2-CD1 3.64Å; I188-I199 HydrophobicContact CG2-CG1 4.38Å; L189-I199 HydrophobicContact CD2-CD1 4.13Å; P196-I199 WeakPolarHBondContact O-CB 3.38Å; P196-I199 PolarHBondContact O-N 2.84Å; S197-I199 PolarHBondContact O-N 3.39Å; I199-V202 HydrophobicContact CG2-CG2 3.82Å; I199-R216 PolarHBondContact O-NE 2.92Å; I199-R216 PolarHBondContact O-NH2 2.92Å |
| 200 | Y | 87.6 | Confident | 84.9 | Confident | 152 Ų | 152 | 63.3 Ų | 63.3 | 60% | 0.596 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -45.1 | 172.3 | -178.2 | -88.6 | 0 | 0 | 0 | 111.3 | S214 | Y200-S214 WeakPolarHBondContact CA-O 3.49Å; Y200-S214 WeakPolarHBondContact CB-O 3.45Å; Y200-S214 PolarHBondContact N-O 2.96Å |
| 201 | A | 85.8 | Confident | 84.9 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 150.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | I203 S214 | A201-I203 HydrophobicContact CB-CG1 4.32Å; A201-S214 PolarHBondContact N-O 3.26Å; A201-S214 PolarHBondContact O-N 3.04Å |
| 202 | V | 88.5 | Confident | 84.8 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118.9 | 163.2 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | R180 V184 I188 I199 V213 | R180-V202 HydrophobicContact CG-CG1 4.44Å; V184-V202 HydrophobicContact CG2-CB 4.09Å; V184-V202 HydrophobicContact CG2-CG1 4.11Å; V184-V202 HydrophobicContact CG2-CG2 3.96Å; I188-V202 HydrophobicContact CD1-CG2 4.06Å; I199-V202 HydrophobicContact CG2-CG2 3.82Å; V202-V213 HydrophobicContact CG1-CG2 4.16Å; V202-V213 HydrophobicContact CG2-CG1 4.2Å; V202-V213 HydrophobicContact CG2-CG2 4.16Å |
| 203 | I | 85.1 | Confident | 84.7 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 35% | 0.354 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.7 | -173.4 | -55.8 | 174.9 | 0 | 0 | 0 | 108.8 | A201 D212 | A201-I203 HydrophobicContact CB-CG1 4.32Å; I203-D212 PolarHBondContact N-O 2.92Å; I203-D212 PolarHBondContact O-N 2.74Å |
| 204 | Q | 85.4 | Confident | 84.7 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.3 | 162.8 | -170.5 | 178.1 | 9.8 | 0 | 0 | 108.3 | S208 F211 | Q204-S208 PolarHBondContact NE2-O 2.92Å; Q204-F211 HydrophobicContact CB-CD1 3.92Å; Q204-F211 HydrophobicContact CB-CE1 4.08Å; Q204-F211 HydrophobicContact CG-CD1 3.96Å; Q204-F211 HydrophobicContact CG-CE1 3.74Å; Q204-F211 HydrophobicContact CG-CZ 4.35Å |
| 205 | I | 79.1 | Confident | 84.6 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 131.7 | 168.2 | -60.3 | 176.1 | 0 | 0 | 0 | 107.1 | G207 S208 | I205-G207 PolarHBondContact O-N 3.2Å; I205-S208 WeakPolarHBondContact O-CA 3.28Å; I205-S208 WeakPolarHBondContact O-CB 3.3Å; I205-S208 PolarHBondContact O-N 2.97Å |
| 206 | P | 71.6 | Confident | 84.4 | Confident | 126 Ų | 126 | 54.4 Ų | 54.4 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 137.1 | 174.7 | -26.4 | 35.4 | 0 | 0 | 0 | 111.7 | S208 | P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 3.38Å |
| 207 | G | 67.2 | Low | 84.1 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 75% | 0.753 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 17.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I205 | I205-G207 PolarHBondContact O-N 3.2Š|
| 208 | S | 77 | Confident | 83.8 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | trans | -121.5 | 135.7 | 177 | -162.4 | 0 | 0 | 0 | 0 | 112.9 | Q204 I205 P206 E210 | Q204-S208 PolarHBondContact NE2-O 2.92Å; I205-S208 WeakPolarHBondContact O-CA 3.28Å; I205-S208 WeakPolarHBondContact O-CB 3.3Å; I205-S208 PolarHBondContact O-N 2.97Å; P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 3.38Å; S208-E210 PolarHBondContact O-N 3.03Å; S208-E210 WeakPolarHBondContact OG-CB 3.48Å; S208-E210 WeakPolarHBondContact OG-CG 3.25Å; S208-E210 PolarHBondContact OG-N 3.32Å; S208-E210 PolarHBondContact OG-OE1 3.21Å | ||
| 209 | R | 83 | Confident | 83.6 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80.8 | 8.7 | 167.3 | -65.5 | -175.2 | -75 | 157.7 | 3.1 | 112.8 | C169 F170 Q171 G172 C177 | C169-R209 WeakPolarHBondContact CA-O 3.45Å; F170-R209 HydrophobicContact CB-CB 4.2Å; F170-R209 HydrophobicContact CD1-CG 4.41Å; F170-R209 PolarHBondContact N-O 3.42Å; F170-R209 WeakPolarHBondContact O-CB 3.27Å; Q171-R209 PolarHBondContact O-NH1 2.83Å; Q171-R209 VanDerWaalsContact O-NH1 3.15Å; G172-R209 WeakPolarHBondContact O-CD 3.44Å; G172-R209 PolarHBondContact O-NH1 3.03Å; C177-R209 HydrophobicContact CB-CG 4.08Å |
| 210 | E | 83.7 | Confident | 83.6 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 9% | 0.093 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.3 | 179.4 | -57.8 | 159.2 | -129.3 | 0 | 0 | 111.3 | R167 S208 T253 K297 | R167-E210 IonicContact CZ-OE2 2.83Å; R167-E210 IonicContact NE-OE2 3.46Å; R167-E210 IonicContact NH1-OE2 3.85Å; R167-E210 PolarHBondContact NH1-OE2 3.16Å; R167-E210 IonicContact NH2-OE2 3.49Å; R167-E210 PolarHBondContact NH2-OE2 3.19Å; S208-E210 PolarHBondContact O-N 3.03Å; S208-E210 WeakPolarHBondContact OG-CB 3.48Å; S208-E210 WeakPolarHBondContact OG-CG 3.25Å; S208-E210 PolarHBondContact OG-N 3.32Å; S208-E210 PolarHBondContact OG-OE1 3.21Å; E210-T253 PolarHBondContact OE2-OG1 3.08Å; E210-K297 VanDerWaalsContact OE1-CE 3.26Å; E210-K297 WeakPolarHBondContact OE1-CE 3.2Å; E210-K297 IonicContact OE1-NZ 2.68Å; E210-K297 PolarHBondContact OE1-NZ 3.42Å |
| 211 | F | 88 | Confident | 83.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 109.8 | 173.8 | -55 | -98.4 | 0 | 0 | 0 | 109.7 | R167 I168 P178 V183 Q204 V213 | R167-F211 WeakPolarHBondContact CA-O 3.43Å; I168-F211 HydrophobicContact CB-CB 4.33Å; I168-F211 PolarHBondContact N-O 2.82Å; I168-F211 PolarHBondContact O-N 2.86Å; P178-F211 WeakPolarHBondContact O-CZ 3.29Å; V183-F211 HydrophobicContact CB-CD1 4.13Å; V183-F211 HydrophobicContact CB-CE1 4.26Å; V183-F211 HydrophobicContact CB-CG 4.45Å; V183-F211 HydrophobicContact CG1-CB 4.27Å; V183-F211 HydrophobicContact CG1-CD1 4.19Å; V183-F211 HydrophobicContact CG1-CG 4.12Å; V183-F211 HydrophobicContact CG2-CD1 3.92Å; V183-F211 HydrophobicContact CG2-CD2 4.06Å; V183-F211 HydrophobicContact CG2-CE1 3.71Å; V183-F211 HydrophobicContact CG2-CE2 3.88Å; V183-F211 HydrophobicContact CG2-CG 4.1Å; V183-F211 HydrophobicContact CG2-CZ 3.71Å; Q204-F211 HydrophobicContact CB-CD1 3.92Å; Q204-F211 HydrophobicContact CB-CE1 4.08Å; Q204-F211 HydrophobicContact CG-CD1 3.96Å; Q204-F211 HydrophobicContact CG-CE1 3.74Å; Q204-F211 HydrophobicContact CG-CZ 4.35Å; F211-V213 PolarHBondContact O-N 3.17Å |
| 212 | D | 86.6 | Confident | 83.4 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 102.2 | 176.2 | -81.5 | -17.3 | 0 | 0 | 0 | 109.9 | L165 V166 R167 I203 R246 | L165-D212 HydrophobicContact CD2-CB 4.37Å; V166-D212 CarbonylContact O-C 3.54Å; R167-D212 WeakPolarHBondContact CB-OD1 3.08Å; R167-D212 IonicContact CZ-OD1 2.85Å; R167-D212 IonicContact CZ-OD2 3.8Å; R167-D212 IonicContact NE-OD1 3.04Å; R167-D212 PolarHBondContact NE-OD1 2.91Å; R167-D212 IonicContact NH2-OD1 3Å; R167-D212 PolarHBondContact NH2-OD1 3.47Å; R167-D212 IonicContact NH2-OD2 2.77Å; R167-D212 PolarHBondContact NH2-OD2 3.37Å; R167-D212 VanDerWaalsContact NH2-OD2 3.07Å; I203-D212 PolarHBondContact N-O 2.92Å; I203-D212 PolarHBondContact O-N 2.74Å; D212-R246 IonicContact OD1-NH1 2.75Å; D212-R246 PolarHBondContact OD1-NH1 2.83Å; D212-R246 IonicContact OD2-NH1 3.72Å; D212-R246 PolarHBondContact OD2-NH1 3.29Å |
| 213 | V | 88.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.8 | 178.3 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | L165 V166 I168 I188 V202 F211 F215 | L165-V213 CarbonylContact C-O 3.57Å; L165-V213 VanDerWaalsContact CA-O 3.29Å; L165-V213 WeakPolarHBondContact CA-O 3.36Å; L165-V213 WeakPolarHBondContact CG-O 3.38Å; V166-V213 HydrophobicContact CB-CB 4.36Å; V166-V213 PolarHBondContact N-O 2.84Å; V166-V213 PolarHBondContact O-N 3.1Å; I168-V213 HydrophobicContact CD1-CG2 3.96Å; I168-V213 HydrophobicContact CG1-CG2 4.13Å; I188-V213 HydrophobicContact CD1-CG1 4.01Å; I188-V213 HydrophobicContact CD1-CG2 3.71Å; V202-V213 HydrophobicContact CG1-CG2 4.16Å; V202-V213 HydrophobicContact CG2-CG1 4.2Å; V202-V213 HydrophobicContact CG2-CG2 4.16Å; F211-V213 PolarHBondContact O-N 3.17Å; V213-F215 HydrophobicContact CG1-CE1 3.83Å; V213-F215 HydrophobicContact CG1-CE2 3.9Å; V213-F215 HydrophobicContact CG1-CZ 3.48Å; V213-F215 VanDerWaalsContact CG1-CZ 3.48Å |
| 214 | S | 86.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.9 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | R163 F164 Y200 A201 | R163-S214 PolarHBondContact NH2-OG 3.1Å; F164-S214 CarbonylContact O-C 3.56Å; F164-S214 WeakPolarHBondContact O-CA 3.4Å; Y200-S214 WeakPolarHBondContact CA-O 3.49Å; Y200-S214 WeakPolarHBondContact CB-O 3.45Å; Y200-S214 PolarHBondContact N-O 2.96Å; A201-S214 PolarHBondContact N-O 3.26Å; A201-S214 PolarHBondContact O-N 3.04Å |
| 215 | F | 87.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 160.8 | 176.7 | -55.8 | -77.3 | 0 | 0 | 0 | 111.7 | F164 V166 M194 D198 V213 L221 F224 | F164-F215 HydrophobicContact CB-CB 4.28Å; F164-F215 PolarHBondContact O-N 3.37Å; V166-F215 HydrophobicContact CB-CE2 4.11Å; V166-F215 HydrophobicContact CG2-CE2 3.89Å; M194-F215 HydrophobicContact CE-CD1 3.88Å; M194-F215 HydrophobicContact CE-CE1 3.84Å; M194-F215 HydrophobicContact SD-CD1 4.18Å; M194-F215 HydrophobicContact SD-CE1 3.52Å; M194-F215 VanDerWaalsContact SD-CE1 3.52Å; M194-F215 HydrophobicContact SD-CZ 4.27Å; D198-F215 WeakPolarHBondContact O-CA 3.08Å; V213-F215 HydrophobicContact CG1-CE1 3.83Å; V213-F215 HydrophobicContact CG1-CE2 3.9Å; V213-F215 HydrophobicContact CG1-CZ 3.48Å; V213-F215 VanDerWaalsContact CG1-CZ 3.48Å; F215-L221 HydrophobicContact CD2-CB 3.91Å; F215-L221 HydrophobicContact CD2-CD1 3.95Å; F215-L221 HydrophobicContact CE2-CD1 3.98Å; F215-L221 HydrophobicContact CG-CB 4.48Å; F215-F224 HydrophobicContact CE1-CB 4.29Å; F215-F224 HydrophobicContact CE1-CD2 4.08Å; F215-F224 HydrophobicContact CE1-CG 4.27Å; F215-F224 HydrophobicContact CE2-CB 4.25Å; F215-F224 HydrophobicContact CE2-CD1 4.32Å; F215-F224 HydrophobicContact CE2-CG 4.11Å; F215-F224 HydrophobicContact CZ-CB 3.81Å; F215-F224 HydrophobicContact CZ-CD1 4.06Å; F215-F224 AromaticContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CE2 4.13Å; F215-F224 AromaticContact CZ-CG 3.5Å; F215-F224 HydrophobicContact CZ-CG 3.5Å |
| 216 | R | 85.3 | Confident | 84 | Confident | 153 Ų | 153 | 53.7 Ų | 53.7 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -80.3 | -26.5 | 179.2 | -64.5 | -172.7 | -162.6 | -104.2 | -11 | 114.3 | S197 D198 I199 | S197-R216 WeakPolarHBondContact O-CD 3.2Å; S197-R216 PolarHBondContact O-NE 2.9Å; D198-R216 PolarHBondContact O-N 2.92Å; I199-R216 PolarHBondContact O-NE 2.92Å; I199-R216 PolarHBondContact O-NH2 2.92Å |
| 217 | S | 83.3 | Confident | 84.8 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -133.4 | 161.2 | 178.3 | 81.7 | 0 | 0 | 0 | 0 | 113.4 | E219 K220 L221 | S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact OG-N 2.94Å; S217-K220 WeakPolarHBondContact OG-CG 3.5Å; S217-K220 PolarHBondContact OG-N 3.49Å; S217-L221 PolarHBondContact O-N 3.04Å |
| 218 | A | 81.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 45.9 Ų | 45.9 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -36 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F164 L221 A222 | F164-A218 HydrophobicContact CD1-CB 3.86Å; F164-A218 HydrophobicContact CE1-CB 3.56Å; F164-A218 HydrophobicContact CZ-CB 4.06Å; A218-L221 WeakPolarHBondContact O-CB 3.21Å; A218-L221 PolarHBondContact O-N 3.07Å; A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 3.45Å |
| 219 | E | 85.4 | Confident | 86.2 | Confident | 154 Ų | 154 | 51.9 Ų | 51.9 | 72% | 0.72 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | -179.4 | -64.2 | 149.6 | -170.1 | 0 | 0 | 111.4 | S217 L221 A222 L223 | S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact OG-N 2.94Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.27Å; E219-A222 PolarHBondContact O-N 2.91Å; E219-L223 WeakPolarHBondContact O-CB 3.38Å; E219-L223 PolarHBondContact O-N 2.79Å |
| 220 | K | 87.8 | Confident | 86.4 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 27% | 0.265 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.5 | -33.4 | 178.2 | -65.9 | -67 | -175.1 | 146.2 | 0 | 111.8 | M194 D198 S217 L223 F224 | M194-K220 HydrophobicContact CE-CB 3.8Å; M194-K220 HydrophobicContact CE-CD 4.21Å; M194-K220 WeakPolarHBondContact CE-O 3.34Å; D198-K220 HydrophobicContact CB-CB 4.35Å; D198-K220 HydrophobicContact CB-CD 4.15Å; D198-K220 HydrophobicContact CB-CG 4.09Å; D198-K220 VanDerWaalsContact CG-CD 3.42Å; D198-K220 WeakPolarHBondContact OD1-CD 3.19Å; D198-K220 WeakPolarHBondContact OD1-CE 3.43Å; D198-K220 IonicContact OD1-NZ 2.95Å; D198-K220 PolarHBondContact OD1-NZ 2.77Å; D198-K220 WeakPolarHBondContact OD2-CD 3.42Å; D198-K220 WeakPolarHBondContact OD2-CE 3.35Å; D198-K220 IonicContact OD2-NZ 2.69Å; D198-K220 PolarHBondContact OD2-NZ 3.42Å; S217-K220 WeakPolarHBondContact OG-CG 3.5Å; S217-K220 PolarHBondContact OG-N 3.49Å; K220-L223 HydrophobicContact CD-CD2 4.41Å; K220-F224 WeakPolarHBondContact O-CB 3.46Å; K220-F224 PolarHBondContact O-N 2.87Å |
| 221 | L | 85.8 | Confident | 86.3 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 167.4 | 167.7 | 64.9 | 0 | 0 | 0 | 112.2 | F164 V166 F215 S217 A218 E219 F224 L225 | F164-L221 HydrophobicContact CB-CB 4.07Å; F164-L221 HydrophobicContact CB-CD2 3.92Å; F164-L221 HydrophobicContact CD1-CD2 4.46Å; V166-L221 HydrophobicContact CG2-CD1 3.52Å; F215-L221 HydrophobicContact CD2-CB 3.91Å; F215-L221 HydrophobicContact CD2-CD1 3.95Å; F215-L221 HydrophobicContact CE2-CD1 3.98Å; F215-L221 HydrophobicContact CG-CB 4.48Å; S217-L221 PolarHBondContact O-N 3.04Å; A218-L221 WeakPolarHBondContact O-CB 3.21Å; A218-L221 PolarHBondContact O-N 3.07Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.27Å; L221-F224 PolarHBondContact O-N 2.89Å; L221-L225 HydrophobicContact CD1-CD1 3.97Å; L221-L225 HydrophobicContact CD1-CG 4.22Å; L221-L225 HydrophobicContact CG-CD1 4.32Å; L221-L225 WeakPolarHBondContact O-CG 3.25Å; L221-L225 PolarHBondContact O-N 2.91Å; L221-L225 VanDerWaalsContact O-N 3.08Å |
| 222 | A | 84 | Confident | 86 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A218 E219 R226 | A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 3.45Å; E219-A222 PolarHBondContact O-N 2.91Å; A222-R226 PolarHBondContact O-N 2.72Å; A222-R226 VanDerWaalsContact O-N 3.14Å |
| 223 | L | 88 | Confident | 85.6 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.366 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 171.7 | -179.1 | 65.1 | 0 | 0 | 0 | 111 | E219 K220 L225 R226 V227 | E219-L223 WeakPolarHBondContact O-CB 3.38Å; E219-L223 PolarHBondContact O-N 2.79Å; K220-L223 HydrophobicContact CD-CD2 4.41Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 2.94Å; L223-R226 PolarHBondContact O-N 3.26Å; L223-V227 HydrophobicContact CD1-CG2 4.04Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.86Å |
| 224 | F | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55 | -46.1 | 177.4 | 175.9 | -85 | 0 | 0 | 0 | 112 | V166 I168 I188 I192 M194 F215 K220 L221 Y228 W238 V243 | V166-F224 HydrophobicContact CB-CE1 4.29Å; V166-F224 HydrophobicContact CG1-CE1 3.76Å; V166-F224 HydrophobicContact CG1-CZ 4.22Å; V166-F224 HydrophobicContact CG2-CD1 3.87Å; V166-F224 HydrophobicContact CG2-CE1 3.89Å; I168-F224 HydrophobicContact CD1-CZ 4.1Å; I188-F224 HydrophobicContact CG1-CE2 4.24Å; I192-F224 HydrophobicContact CB-CD2 4.29Å; I192-F224 HydrophobicContact CG1-CD2 3.89Å; I192-F224 HydrophobicContact CG1-CE2 3.75Å; I192-F224 HydrophobicContact CG2-CB 4.47Å; I192-F224 HydrophobicContact CG2-CD2 3.88Å; I192-F224 HydrophobicContact CG2-CG 4.47Å; M194-F224 HydrophobicContact CE-CB 4.44Å; M194-F224 HydrophobicContact SD-CB 3.8Å; M194-F224 HydrophobicContact SD-CD2 3.68Å; M194-F224 HydrophobicContact SD-CG 4.21Å; F215-F224 HydrophobicContact CE1-CB 4.29Å; F215-F224 HydrophobicContact CE1-CD2 4.08Å; F215-F224 HydrophobicContact CE1-CG 4.27Å; F215-F224 HydrophobicContact CE2-CB 4.25Å; F215-F224 HydrophobicContact CE2-CD1 4.32Å; F215-F224 HydrophobicContact CE2-CG 4.11Å; F215-F224 HydrophobicContact CZ-CB 3.81Å; F215-F224 HydrophobicContact CZ-CD1 4.06Å; F215-F224 AromaticContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CE2 4.13Å; F215-F224 AromaticContact CZ-CG 3.5Å; F215-F224 HydrophobicContact CZ-CG 3.5Å; K220-F224 WeakPolarHBondContact O-CB 3.46Å; K220-F224 PolarHBondContact O-N 2.87Å; L221-F224 PolarHBondContact O-N 2.89Å; F224-Y228 WeakPolarHBondContact O-CB 3.35Å; F224-Y228 PolarHBondContact O-N 2.89Å; F224-W238 HydrophobicContact CZ-CH2 4.16Å; F224-V243 HydrophobicContact CE1-CG1 3.81Å; F224-V243 HydrophobicContact CE1-CG2 4.3Å; F224-V243 HydrophobicContact CZ-CG2 4.35Å |
| 225 | L | 86.1 | Confident | 84.7 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | -178.3 | -69.9 | 173 | 0 | 0 | 0 | 112.5 | V166 L221 L223 Y228 E229 V243 | V166-L225 HydrophobicContact CG2-CD2 4.03Å; L221-L225 HydrophobicContact CD1-CD1 3.97Å; L221-L225 HydrophobicContact CD1-CG 4.22Å; L221-L225 HydrophobicContact CG-CD1 4.32Å; L221-L225 WeakPolarHBondContact O-CG 3.25Å; L221-L225 PolarHBondContact O-N 2.91Å; L221-L225 VanDerWaalsContact O-N 3.08Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 2.94Å; L225-Y228 PolarHBondContact O-N 2.89Å; L225-E229 WeakPolarHBondContact O-CG 3.33Å; L225-E229 PolarHBondContact O-N 2.69Å; L225-V243 HydrophobicContact CD2-CG1 3.89Å |
| 226 | R | 87.1 | Confident | 84.3 | Confident | 148 Ų | 148 | 80.7 Ų | 80.7 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.2 | -51.9 | 176.6 | -173.3 | -168 | -54.1 | 160.6 | 5.3 | 111.7 | A222 L223 Y228 E229 E230 | A222-R226 PolarHBondContact O-N 2.72Å; A222-R226 VanDerWaalsContact O-N 3.14Å; L223-R226 PolarHBondContact O-N 3.26Å; R226-Y228 VanDerWaalsContact C-N 3.28Å; R226-Y228 PolarHBondContact O-N 3.23Å; R226-E229 PolarHBondContact O-N 2.84Å; R226-E229 VanDerWaalsContact O-N 3.12Å; R226-E230 WeakPolarHBondContact CG-OE1 3.26Å; R226-E230 WeakPolarHBondContact O-CG 3.37Å; R226-E230 PolarHBondContact O-N 2.93Å |
| 227 | V | 88.6 | Confident | 84 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68 | -31.2 | -178.8 | 177 | 0 | 0 | 0 | 0 | 111 | I192 L223 K231 | I192-V227 HydrophobicContact CB-CG1 4.41Å; I192-V227 HydrophobicContact CD1-CB 4.37Å; I192-V227 HydrophobicContact CD1-CG1 3.97Å; I192-V227 HydrophobicContact CG2-CB 4.05Å; I192-V227 HydrophobicContact CG2-CG1 4Å; L223-V227 HydrophobicContact CD1-CG2 4.04Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.86Å; V227-K231 HydrophobicContact CG1-CD 3.89Å; V227-K231 HydrophobicContact CG1-CG 4.24Å; V227-K231 VanDerWaalsContact O-CB 3.29Å; V227-K231 WeakPolarHBondContact O-CB 3.47Å; V227-K231 WeakPolarHBondContact O-CG 3.35Å; V227-K231 PolarHBondContact O-N 3.09Å |
| 228 | Y | 87.6 | Confident | 84.1 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 168.6 | 168.1 | -101 | 0 | 0 | 0 | 111.4 | F224 L225 R226 E230 K231 R232 W238 F241 V243 | F224-Y228 WeakPolarHBondContact O-CB 3.35Å; F224-Y228 PolarHBondContact O-N 2.89Å; L225-Y228 PolarHBondContact O-N 2.89Å; R226-Y228 VanDerWaalsContact C-N 3.28Å; R226-Y228 PolarHBondContact O-N 3.23Å; Y228-E230 VanDerWaalsContact C-N 3.26Å; Y228-E230 PolarHBondContact O-N 3.12Å; Y228-K231 PolarHBondContact O-N 3.41Å; Y228-R232 HydrophobicContact CD2-CB 4.05Å; Y228-R232 HydrophobicContact CE1-CB 4.3Å; Y228-R232 HydrophobicContact CE1-CG 4.41Å; Y228-R232 HydrophobicContact CE2-CB 3.59Å; Y228-R232 WeakPolarHBondContact O-CB 3.31Å; Y228-R232 WeakPolarHBondContact O-CG 3.41Å; Y228-R232 PolarHBondContact O-N 2.85Å; Y228-W238 AromaticContact CD2-CD2 3.88Å; Y228-W238 HydrophobicContact CD2-CD2 3.88Å; Y228-W238 AromaticContact CD2-CE3 3.73Å; Y228-W238 HydrophobicContact CD2-CE3 3.73Å; Y228-W238 AromaticContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CZ2 4.11Å; Y228-W238 AromaticContact CD2-CZ3 3.74Å; Y228-W238 HydrophobicContact CD2-CZ3 3.74Å; Y228-W238 AromaticContact CE2-CD2 3.85Å; Y228-W238 HydrophobicContact CE2-CD2 3.85Å; Y228-W238 AromaticContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CE3 3.48Å; Y228-W238 VanDerWaalsContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CG 4.44Å; Y228-W238 HydrophobicContact CE2-CH2 4.45Å; Y228-W238 AromaticContact CE2-CZ3 3.81Å; Y228-W238 HydrophobicContact CE2-CZ3 3.81Å; Y228-F241 PolarHBondContact OH-O 3.21Å; Y228-V243 HydrophobicContact CD1-CB 3.8Å; Y228-V243 HydrophobicContact CD1-CG1 4.02Å; Y228-V243 HydrophobicContact CD1-CG2 4.16Å; Y228-V243 HydrophobicContact CD2-CB 4.07Å; Y228-V243 HydrophobicContact CD2-CG2 3.5Å; Y228-V243 HydrophobicContact CE1-CB 3.53Å; Y228-V243 HydrophobicContact CE1-CG1 4.19Å; Y228-V243 HydrophobicContact CE1-CG2 4.05Å; Y228-V243 HydrophobicContact CE2-CB 3.82Å; Y228-V243 HydrophobicContact CE2-CG2 3.37Å; Y228-V243 HydrophobicContact CG-CB 4.05Å; Y228-V243 HydrophobicContact CG-CG1 4.29Å; Y228-V243 HydrophobicContact CG-CG2 3.89Å; Y228-V243 PolarHBondContact OH-N 3.16Å |
| 229 | E | 85.8 | Confident | 84 | Confident | 134 Ų | 134 | 78.2 Ų | 78.2 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -35 | 179.2 | -76.5 | 171.5 | -171.8 | 0 | 0 | 112.5 | L225 R226 | L225-E229 WeakPolarHBondContact O-CG 3.33Å; L225-E229 PolarHBondContact O-N 2.69Å; R226-E229 PolarHBondContact O-N 2.84Å; R226-E229 VanDerWaalsContact O-N 3.12Å |
| 230 | E | 85.6 | Confident | 83.9 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.8 | -46 | 172.9 | -69.2 | 163.6 | -170.2 | 0 | 0 | 112.5 | R226 Y228 Q234 | R226-E230 WeakPolarHBondContact CG-OE1 3.26Å; R226-E230 WeakPolarHBondContact O-CG 3.37Å; R226-E230 PolarHBondContact O-N 2.93Å; Y228-E230 VanDerWaalsContact C-N 3.26Å; Y228-E230 PolarHBondContact O-N 3.12Å; E230-Q234 PolarHBondContact O-NE2 3.47Å |
| 231 | K | 83.6 | Confident | 83.8 | Confident | 56 Ų | 56 | 72.2 Ų | 72.2 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -90.1 | -22.5 | -169.9 | -71 | -169.8 | 163.4 | -145.5 | 0 | 116.2 | S191 V227 Y228 E233 Q234 E235 | S191-K231 WeakPolarHBondContact O-CD 3.5Å; S191-K231 VanDerWaalsContact O-CE 3.27Å; S191-K231 WeakPolarHBondContact O-CE 3.48Å; S191-K231 PolarHBondContact O-NZ 3.15Å; V227-K231 HydrophobicContact CG1-CD 3.89Å; V227-K231 HydrophobicContact CG1-CG 4.24Å; V227-K231 VanDerWaalsContact O-CB 3.29Å; V227-K231 WeakPolarHBondContact O-CB 3.47Å; V227-K231 WeakPolarHBondContact O-CG 3.35Å; V227-K231 PolarHBondContact O-N 3.09Å; Y228-K231 PolarHBondContact O-N 3.41Å; K231-E233 PolarHBondContact O-N 3.42Å; K231-Q234 PolarHBondContact O-N 3.17Å; K231-E235 WeakPolarHBondContact CD-OE1 3.39Å; K231-E235 WeakPolarHBondContact CE-OE1 3.46Å; K231-E235 IonicContact NZ-OE1 3.23Å; K231-E235 PolarHBondContact NZ-OE1 3.04Å; K231-E235 PolarHBondContact O-N 2.76Å |
| 232 | R | 80.6 | Confident | 83.7 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16 | -177.1 | 61.2 | 166.5 | -102.9 | 179.6 | -10.3 | 115.5 | Y228 | Y228-R232 HydrophobicContact CD2-CB 4.05Å; Y228-R232 HydrophobicContact CE1-CB 4.3Å; Y228-R232 HydrophobicContact CE1-CG 4.41Å; Y228-R232 HydrophobicContact CE2-CB 3.59Å; Y228-R232 WeakPolarHBondContact O-CB 3.31Å; Y228-R232 WeakPolarHBondContact O-CG 3.41Å; Y228-R232 PolarHBondContact O-N 2.85Å |
| 233 | E | 78.5 | Confident | 83.6 | Confident | 126 Ų | 126 | 71.6 Ų | 71.6 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | 6.8 | 176.3 | -41.9 | -146.5 | 167.9 | 0 | 0 | 112.3 | K37 K231 | K37-E233 IonicContact NZ-OE2 2.62Å; K231-E233 PolarHBondContact O-N 3.42Å |
| 234 | Q | 76.6 | Confident | 83 | Confident | 154 Ų | 154 | 70.5 Ų | 70.5 | 72% | 0.72 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -26.2 | 179.8 | -62.5 | -176.5 | 45.5 | 0 | 0 | 113.4 | E230 K231 | E230-Q234 PolarHBondContact O-NE2 3.47Å; K231-Q234 PolarHBondContact O-N 3.17Å |
| 235 | E | 78.8 | Confident | 81.5 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | trans | -121.4 | 118.5 | -177.2 | -68.7 | -176.3 | -164.7 | 0 | 0 | 112.3 | S191 K231 C237 W238 | S191-E235 WeakPolarHBondContact CB-OE2 3.31Å; S191-E235 PolarHBondContact OG-OE2 3.48Å; K231-E235 WeakPolarHBondContact CD-OE1 3.39Å; K231-E235 WeakPolarHBondContact CE-OE1 3.46Å; K231-E235 IonicContact NZ-OE1 3.23Å; K231-E235 PolarHBondContact NZ-OE1 3.04Å; K231-E235 PolarHBondContact O-N 2.76Å; E235-C237 PolarHBondContact O-N 3.3Å; E235-W238 PolarHBondContact O-N 3.07Å | ||
| 236 | D | 79.8 | Confident | 80.2 | Confident | 150 Ų | 150 | 71.8 Ų | 71.8 | 80% | 0.802 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -56.4 | -20.6 | -178.3 | -52.8 | -43.4 | 0 | 0 | 0 | 114.2 | W238 E239 | D236-W238 PolarHBondContact O-N 2.89Å; D236-W238 VanDerWaalsContact O-N 3.15Å; D236-E239 VanDerWaalsContact O-CB 3.25Å; D236-E239 WeakPolarHBondContact O-CB 3.48Å; D236-E239 PolarHBondContact O-N 2.95Å |
| 237 | C | 79.6 | Confident | 78.4 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -64 | -18.1 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | L187 E235 F241 | L187-C237 HydrophobicContact CD2-CB 3.95Å; L187-C237 WeakPolarHBondContact CD2-O 3.16Å; E235-C237 PolarHBondContact O-N 3.3Å; C237-F241 WeakPolarHBondContact O-CD2 3.4Å |
| 238 | W | 84.4 | Confident | 76.9 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -88.1 | -1.2 | 171.4 | -67.8 | 100.6 | 0 | 0 | 0 | 114 | I168 L187 S191 I192 F224 Y228 E235 D236 N240 F241 V243 | I168-W238 HydrophobicContact CD1-CH2 4.42Å; I168-W238 HydrophobicContact CD1-CZ3 4.44Å; I168-W238 HydrophobicContact CG2-CZ3 4.24Å; L187-W238 HydrophobicContact CB-CH2 3.7Å; L187-W238 HydrophobicContact CB-CZ2 3.75Å; L187-W238 HydrophobicContact CB-CZ3 4.26Å; L187-W238 HydrophobicContact CD1-CE3 4.24Å; L187-W238 HydrophobicContact CD1-CH2 4.22Å; L187-W238 HydrophobicContact CD1-CZ3 3.93Å; L187-W238 HydrophobicContact CD2-CD2 4.39Å; L187-W238 HydrophobicContact CG-CH2 4.44Å; S191-W238 PolarHBondContact OG-NE1 3.09Å; I192-W238 HydrophobicContact CD1-CH2 4.43Å; I192-W238 HydrophobicContact CD1-CZ2 3.62Å; I192-W238 HydrophobicContact CG1-CH2 4.41Å; I192-W238 HydrophobicContact CG1-CZ2 3.78Å; F224-W238 HydrophobicContact CZ-CH2 4.16Å; Y228-W238 AromaticContact CD2-CD2 3.88Å; Y228-W238 HydrophobicContact CD2-CD2 3.88Å; Y228-W238 AromaticContact CD2-CE3 3.73Å; Y228-W238 HydrophobicContact CD2-CE3 3.73Å; Y228-W238 AromaticContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CZ2 4.11Å; Y228-W238 AromaticContact CD2-CZ3 3.74Å; Y228-W238 HydrophobicContact CD2-CZ3 3.74Å; Y228-W238 AromaticContact CE2-CD2 3.85Å; Y228-W238 HydrophobicContact CE2-CD2 3.85Å; Y228-W238 AromaticContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CE3 3.48Å; Y228-W238 VanDerWaalsContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CG 4.44Å; Y228-W238 HydrophobicContact CE2-CH2 4.45Å; Y228-W238 AromaticContact CE2-CZ3 3.81Å; Y228-W238 HydrophobicContact CE2-CZ3 3.81Å; E235-W238 PolarHBondContact O-N 3.07Å; D236-W238 PolarHBondContact O-N 2.89Å; D236-W238 VanDerWaalsContact O-N 3.15Å; W238-N240 PolarHBondContact O-N 3.12Å; W238-F241 HydrophobicContact CE3-CB 3.9Å; W238-F241 HydrophobicContact CZ3-CB 4.49Å; W238-F241 PolarHBondContact O-N 3.44Å; W238-V243 HydrophobicContact CE3-CG2 4.31Å; W238-V243 HydrophobicContact CH2-CG2 4.19Å; W238-V243 HydrophobicContact CZ3-CG2 3.57Å |
| 239 | E | 79.7 | Confident | 75.5 | Confident | 139 Ų | 139 | 76.9 Ų | 76.9 | 65% | 0.65 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 136.3 | 174.5 | -157.8 | -166.6 | -151.6 | 0 | 0 | 109.9 | D236 F241 | D236-E239 VanDerWaalsContact O-CB 3.25Å; D236-E239 WeakPolarHBondContact O-CB 3.48Å; D236-E239 PolarHBondContact O-N 2.95Å; E239-F241 WeakPolarHBondContact O-CD2 3.49Å; E239-F241 PolarHBondContact O-N 3.33Å |
| 240 | N | 84.6 | Confident | 74.8 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 8.3 | -173.4 | -48 | -80 | 0 | 0 | 0 | 115.3 | F170 Q171 W238 | F170-N240 CarbonylContact C-O 3.57Å; F170-N240 WeakPolarHBondContact CA-O 3.21Å; F170-N240 HydrophobicContact CD2-CB 4.22Å; F170-N240 HydrophobicContact CE2-CB 3.82Å; F170-N240 HydrophobicContact CZ-CB 4.44Å; Q171-N240 PolarHBondContact N-O 3.07Å; W238-N240 PolarHBondContact O-N 3.12Å |
| 241 | F | 85.1 | Confident | 74.6 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 6% | 0.057 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.8 | 174.4 | -72.5 | -79.8 | 0 | 0 | 0 | 113.2 | I168 F170 P178 F182 V183 L187 Y228 C237 W238 E239 | I168-F241 HydrophobicContact CG2-CB 4.36Å; I168-F241 HydrophobicContact CG2-CD1 3.7Å; I168-F241 HydrophobicContact CG2-CE1 4.38Å; I168-F241 HydrophobicContact CG2-CG 4.41Å; F170-F241 HydrophobicContact CB-CD1 4.18Å; F170-F241 HydrophobicContact CB-CE1 4.01Å; F170-F241 HydrophobicContact CD2-CD1 4.06Å; F170-F241 HydrophobicContact CD2-CD2 4.35Å; F170-F241 AromaticContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE2 4.08Å; F170-F241 HydrophobicContact CD2-CG 4.37Å; F170-F241 AromaticContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CE2-CE2 4.41Å; F170-F241 HydrophobicContact CE2-CZ 4.45Å; F170-F241 HydrophobicContact CG-CE1 4.35Å; P178-F241 HydrophobicContact CG-CE1 4.14Å; P178-F241 HydrophobicContact CG-CE2 4.32Å; P178-F241 HydrophobicContact CG-CZ 3.45Å; P178-F241 VanDerWaalsContact CG-CZ 3.45Å; F182-F241 HydrophobicContact CD1-CZ 4.28Å; F182-F241 AromaticContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CZ 4.04Å; V183-F241 HydrophobicContact CG2-CE1 4.03Å; V183-F241 HydrophobicContact CG2-CZ 4.21Å; L187-F241 HydrophobicContact CD1-CD1 4.03Å; L187-F241 HydrophobicContact CD1-CD2 3.99Å; L187-F241 HydrophobicContact CD1-CE1 3.84Å; L187-F241 HydrophobicContact CD1-CE2 3.81Å; L187-F241 HydrophobicContact CD1-CG 4.05Å; L187-F241 HydrophobicContact CD1-CZ 3.69Å; L187-F241 HydrophobicContact CD2-CE2 4.42Å; Y228-F241 PolarHBondContact OH-O 3.21Å; C237-F241 WeakPolarHBondContact O-CD2 3.4Å; W238-F241 HydrophobicContact CE3-CB 3.9Å; W238-F241 HydrophobicContact CZ3-CB 4.49Å; W238-F241 PolarHBondContact O-N 3.44Å; E239-F241 WeakPolarHBondContact O-CD2 3.49Å; E239-F241 PolarHBondContact O-N 3.33Å |
| 242 | V | 82.6 | Confident | 74.5 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.5 | 170.3 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | C169 Q171 L244 | C169-V242 PolarHBondContact N-O 2.93Å; C169-V242 PolarHBondContact O-N 2.73Å; Q171-V242 HydrophobicContact CG-CG2 4.37Å; Q171-V242 VanDerWaalsContact NE2-CG2 3.29Å; V242-L244 HydrophobicContact CG1-CD2 4.01Å |
| 243 | V | 82 | Confident | 74.9 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.6 | 172.3 | 167.3 | 0 | 0 | 0 | 0 | 109.7 | V166 I168 F224 L225 Y228 W238 | V166-V243 HydrophobicContact CG1-CG1 3.83Å; I168-V243 HydrophobicContact CG1-CG2 4.24Å; I168-V243 HydrophobicContact CG2-CG2 4.22Å; F224-V243 HydrophobicContact CE1-CG1 3.81Å; F224-V243 HydrophobicContact CE1-CG2 4.3Å; F224-V243 HydrophobicContact CZ-CG2 4.35Å; L225-V243 HydrophobicContact CD2-CG1 3.89Å; Y228-V243 HydrophobicContact CD1-CB 3.8Å; Y228-V243 HydrophobicContact CD1-CG1 4.02Å; Y228-V243 HydrophobicContact CD1-CG2 4.16Å; Y228-V243 HydrophobicContact CD2-CB 4.07Å; Y228-V243 HydrophobicContact CD2-CG2 3.5Å; Y228-V243 HydrophobicContact CE1-CB 3.53Å; Y228-V243 HydrophobicContact CE1-CG1 4.19Å; Y228-V243 HydrophobicContact CE1-CG2 4.05Å; Y228-V243 HydrophobicContact CE2-CB 3.82Å; Y228-V243 HydrophobicContact CE2-CG2 3.37Å; Y228-V243 HydrophobicContact CG-CB 4.05Å; Y228-V243 HydrophobicContact CG-CG1 4.29Å; Y228-V243 HydrophobicContact CG-CG2 3.89Å; Y228-V243 PolarHBondContact OH-N 3.16Å; W238-V243 HydrophobicContact CE3-CG2 4.31Å; W238-V243 HydrophobicContact CH2-CG2 4.19Å; W238-V243 HydrophobicContact CZ3-CG2 3.57Å |
| 244 | L | 75.5 | Confident | 75.5 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 108.8 | 169.8 | -53.8 | 177.4 | 0 | 0 | 0 | 108 | R167 V242 R246 L251 | R167-L244 HydrophobicContact CB-CB 4.29Å; R167-L244 PolarHBondContact N-O 2.75Å; R167-L244 PolarHBondContact O-N 3.47Å; V242-L244 HydrophobicContact CG1-CD2 4.01Å; L244-R246 WeakPolarHBondContact O-CG 3.5Å; L244-R246 PolarHBondContact O-N 2.88Å; L244-L251 HydrophobicContact CD1-CD1 4.21Å |
| 245 | G | 58.7 | Low | 76.3 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 115.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 246 | R | 60.5 | Low | 77 | Confident | 31 Ų | 31 | 48 Ų | 48 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 64.9 | -171 | -62.8 | 169.2 | 75 | -175.9 | 14.4 | 112.9 | L165 D212 L244 L251 | L165-R246 HydrophobicContact CD2-CB 4.32Å; L165-R246 VanDerWaalsContact CD2-NH1 3.29Å; L165-R246 CarbonylContact O-C 3.44Å; L165-R246 VanDerWaalsContact O-CA 3.32Å; L165-R246 WeakPolarHBondContact O-CA 3.44Å; L165-R246 VanDerWaalsContact O-CB 3.27Å; L165-R246 WeakPolarHBondContact O-CB 3.11Å; L165-R246 PolarHBondContact O-N 3.44Å; L165-R246 VanDerWaalsContact O-N 3.1Å; D212-R246 IonicContact OD1-NH1 2.75Å; D212-R246 PolarHBondContact OD1-NH1 2.83Å; D212-R246 IonicContact OD2-NH1 3.72Å; D212-R246 PolarHBondContact OD2-NH1 3.29Å; L244-R246 WeakPolarHBondContact O-CG 3.5Å; L244-R246 PolarHBondContact O-N 2.88Å; R246-L251 PolarHBondContact NH2-O 3.06Å |
| 247 | S | 49.3 | Very low | 77.6 | Confident | 109 Ų | 109 | 43.3 Ų | 43.3 | 76% | 0.762 | 24% | 0.243 | S | C | * | . | trans | -64.8 | -24.3 | 146 | 59 | 0 | 0 | 0 | 0 | 111.4 | S249 | S247-S249 PolarHBondContact O-N 2.62Š| ||
| 248 | K | 56.5 | Low | 78.1 | Confident | 99 Ų | 99 | 41.7 Ų | 41.7 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | trans | -70.1 | 101.6 | 178.8 | -76.4 | -178.1 | 164.8 | -158.9 | 0 | 113.3 | S250 E301 | K248-S250 WeakPolarHBondContact CB-OG 3.27Å; K248-S250 PolarHBondContact O-N 3.12Å; K248-E301 VanDerWaalsContact CD-OE1 3.26Å; K248-E301 WeakPolarHBondContact CD-OE1 3.4Å; K248-E301 WeakPolarHBondContact CE-OE1 3.47Å; K248-E301 IonicContact NZ-OE1 3.51Å; K248-E301 PolarHBondContact NZ-OE1 2.83Å; K248-E301 IonicContact NZ-OE2 2.69Å; K248-E301 PolarHBondContact NZ-OE2 2.82Å | ||
| 249 | S | 58.5 | Low | 78.1 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 57% | 0.573 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.5 | 166.1 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | S247 K252 | S247-S249 PolarHBondContact O-N 2.62Å; S249-K252 WeakPolarHBondContact O-CE 3.5Å; S249-K252 PolarHBondContact O-NZ 3.1Å |
| 250 | S | 70.4 | Confident | 78.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -31 | -179.6 | 48.8 | 0 | 0 | 0 | 0 | 115.2 | K248 E301 L302 | K248-S250 WeakPolarHBondContact CB-OG 3.27Å; K248-S250 PolarHBondContact O-N 3.12Å; S250-E301 PolarHBondContact OG-OE1 3.41Å; S250-L302 WeakPolarHBondContact CB-O 3.49Å; S250-L302 WeakPolarHBondContact O-CB 2.86Å; S250-L302 VanDerWaalsContact O-CG 3.31Å; S250-L302 WeakPolarHBondContact O-CG 3.46Å; S250-L302 PolarHBondContact O-N 3.25Å |
| 251 | L | 80.4 | Confident | 77.8 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.8 | -173.9 | -169.4 | 154.6 | 0 | 0 | 0 | 112.1 | L244 R246 L279 I300 | L244-L251 HydrophobicContact CD1-CD1 4.21Å; R246-L251 PolarHBondContact NH2-O 3.06Å; L251-L279 HydrophobicContact CD1-CD1 3.92Å; L251-L279 HydrophobicContact CG-CD1 4.18Å; L251-I300 WeakPolarHBondContact CA-O 3.42Å |
| 252 | K | 83.4 | Confident | 77.6 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 15% | 0.148 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.7 | -175.8 | -54.5 | -63.7 | 178 | -178.8 | 0 | 112.6 | S249 L254 I300 L302 Y327 K328 | S249-K252 WeakPolarHBondContact O-CE 3.5Å; S249-K252 PolarHBondContact O-NZ 3.1Å; K252-L254 PolarHBondContact O-N 3.1Å; K252-I300 HydrophobicContact CB-CG1 4.07Å; K252-I300 PolarHBondContact N-O 3.09Å; K252-I300 WeakPolarHBondContact O-CG1 3.38Å; K252-I300 PolarHBondContact O-N 2.75Å; K252-L302 HydrophobicContact CD-CD1 4.4Å; K252-L302 HydrophobicContact CG-CD1 3.7Å; K252-L302 HydrophobicContact CG-CG 4.09Å; K252-Y327 HydrophobicContact CB-CD2 4.21Å; K252-Y327 HydrophobicContact CB-CG 4Å; K252-Y327 HydrophobicContact CD-CD2 3.55Å; K252-Y327 HydrophobicContact CD-CE2 4.13Å; K252-Y327 HydrophobicContact CD-CG 4.2Å; K252-Y327 HydrophobicContact CG-CD2 3.58Å; K252-Y327 HydrophobicContact CG-CE2 4.02Å; K252-Y327 HydrophobicContact CG-CG 3.88Å; K252-K328 PolarHBondContact NZ-O 3.18Å |
| 253 | T | 87.9 | Confident | 77.6 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 118.6 | 149.9 | -42.4 | 0 | 0 | 0 | 0 | 107.6 | R167 E210 F255 K297 C298 Y327 | R167-T253 PolarHBondContact NH1-OG1 3.25Å; R167-T253 PolarHBondContact NH2-OG1 3.49Å; E210-T253 PolarHBondContact OE2-OG1 3.08Å; T253-F255 HydrophobicContact CG2-CE2 3.87Å; T253-F255 HydrophobicContact CG2-CZ 4.09Å; T253-K297 HydrophobicContact CG2-CD 4.31Å; T253-K297 HydrophobicContact CG2-CG 3.95Å; T253-C298 WeakPolarHBondContact CA-O 3.48Å; T253-Y327 WeakPolarHBondContact O-CB 3.16Å |
| 254 | L | 91.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.9 | 175.8 | 170.9 | 70.2 | 0 | 0 | 0 | 109.8 | K252 I256 L272 C298 I300 L312 Y327 | K252-L254 PolarHBondContact O-N 3.1Å; L254-I256 HydrophobicContact CD1-CG1 4.39Å; L254-I256 HydrophobicContact CD2-CD1 3.8Å; L254-I256 HydrophobicContact CD2-CG1 3.87Å; L254-I256 HydrophobicContact CG-CD1 4.35Å; L254-I256 HydrophobicContact CG-CG1 3.89Å; L254-L272 HydrophobicContact CD2-CD1 4.46Å; L254-L272 HydrophobicContact CD2-CD2 3.41Å; L254-L272 VanDerWaalsContact CD2-CD2 3.41Å; L254-C298 PolarHBondContact N-O 2.8Å; L254-C298 PolarHBondContact O-N 3.43Å; L254-I300 HydrophobicContact CB-CD1 4.03Å; L254-I300 HydrophobicContact CB-CG1 4Å; L254-I300 HydrophobicContact CB-CG2 4.42Å; L254-I300 HydrophobicContact CD2-CD1 4.07Å; L254-I300 HydrophobicContact CD2-CG2 4.3Å; L254-L312 HydrophobicContact CD1-CD2 4.25Å; L254-L312 HydrophobicContact CD2-CD2 3.73Å; L254-Y327 HydrophobicContact CD1-CD1 3.8Å |
| 255 | F | 93.1 | Very high | 78.5 | Confident | 59 Ų | 59 | 55 Ų | 55 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.4 | 168.4 | -62.8 | -94.9 | 0 | 0 | 0 | 109.7 | T253 Y296 K297 S325 W326 | T253-F255 HydrophobicContact CG2-CE2 3.87Å; T253-F255 HydrophobicContact CG2-CZ 4.09Å; F255-Y296 CarbonylContact C-O 3.49Å; F255-Y296 WeakPolarHBondContact CA-O 3.44Å; F255-K297 HydrophobicContact CD1-CB 4.46Å; F255-K297 HydrophobicContact CE1-CB 4.37Å; F255-K297 HydrophobicContact CE1-CD 4.37Å; F255-K297 HydrophobicContact CE1-CG 4.15Å; F255-K297 HydrophobicContact CZ-CG 4.47Å; F255-S325 WeakPolarHBondContact O-CA 3.3Å; F255-W326 HydrophobicContact CB-CD2 3.74Å; F255-W326 HydrophobicContact CB-CE3 4.16Å; F255-W326 HydrophobicContact CB-CG 4.3Å; F255-W326 HydrophobicContact CB-CH2 3.88Å; F255-W326 HydrophobicContact CB-CZ2 3.45Å; F255-W326 VanDerWaalsContact CB-CZ2 3.45Å; F255-W326 HydrophobicContact CB-CZ3 4.21Å; F255-W326 HydrophobicContact CG-CZ2 4.17Å; F255-W326 AromaticContact CG-NE1 3.98Å; F255-W326 PolarHBondContact N-O 3.44Å; F255-W326 PolarHBondContact O-N 2.87Å |
| 256 | I | 93.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.8 | 178.8 | -49.9 | 176.2 | 0 | 0 | 0 | 109.1 | L254 F258 I268 L272 E295 Y296 F316 Y324 | L254-I256 HydrophobicContact CD1-CG1 4.39Å; L254-I256 HydrophobicContact CD2-CD1 3.8Å; L254-I256 HydrophobicContact CD2-CG1 3.87Å; L254-I256 HydrophobicContact CG-CD1 4.35Å; L254-I256 HydrophobicContact CG-CG1 3.89Å; I256-F258 HydrophobicContact CG2-CD2 4.12Å; I256-F258 HydrophobicContact CG2-CE2 3.48Å; I256-F258 VanDerWaalsContact CG2-CE2 3.48Å; I256-F258 HydrophobicContact CG2-CZ 4.03Å; I256-I268 HydrophobicContact CD1-CG2 3.56Å; I256-L272 HydrophobicContact CD1-CD1 4.06Å; I256-L272 HydrophobicContact CD1-CD2 4.09Å; I256-L272 HydrophobicContact CD1-CG 4.34Å; I256-E295 CarbonylContact O-C 3.55Å; I256-E295 WeakPolarHBondContact O-CA 3.26Å; I256-Y296 PolarHBondContact N-O 3.28Å; I256-Y296 PolarHBondContact O-N 3.32Å; I256-F316 HydrophobicContact CG2-CE1 4.01Å; I256-F316 HydrophobicContact CG2-CZ 3.81Å; I256-Y324 CarbonylContact C-O 3.57Å; I256-Y324 VanDerWaalsContact CA-O 3.23Å; I256-Y324 WeakPolarHBondContact CA-O 3.43Å; I256-Y324 WeakPolarHBondContact CG2-O 3.27Å |
| 257 | L | 92.8 | Very high | 81.3 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.1 | 176.7 | 173.8 | 66.7 | 0 | 0 | 0 | 109.8 | E295 G323 Y324 W326 | L257-E295 HydrophobicContact CB-CG 4.48Å; L257-E295 HydrophobicContact CD1-CG 3.96Å; L257-G323 WeakPolarHBondContact O-CA 3.28Å; L257-Y324 PolarHBondContact N-O 3.48Å; L257-Y324 PolarHBondContact O-N 3.49Å; L257-W326 HydrophobicContact CB-CH2 3.74Å; L257-W326 HydrophobicContact CB-CZ3 3.54Å |
| 258 | F | 90.3 | Very high | 83.2 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | trans | -111.6 | 155.4 | 162.8 | -66.9 | -86.5 | 0 | 0 | 0 | 109.5 | I256 V263 I268 G294 Y296 F316 L318 E321 G323 | I256-F258 HydrophobicContact CG2-CD2 4.12Å; I256-F258 HydrophobicContact CG2-CE2 3.48Å; I256-F258 VanDerWaalsContact CG2-CE2 3.48Å; I256-F258 HydrophobicContact CG2-CZ 4.03Å; F258-V263 HydrophobicContact CB-CG2 4.43Å; F258-V263 HydrophobicContact CD1-CB 4.34Å; F258-V263 HydrophobicContact CD1-CG1 4.21Å; F258-V263 HydrophobicContact CD1-CG2 3.83Å; F258-V263 HydrophobicContact CD2-CB 4.34Å; F258-V263 HydrophobicContact CD2-CG1 4.14Å; F258-V263 HydrophobicContact CE1-CG1 3.94Å; F258-V263 HydrophobicContact CE1-CG2 4.23Å; F258-V263 HydrophobicContact CE2-CG1 3.86Å; F258-V263 HydrophobicContact CG-CB 4.23Å; F258-V263 HydrophobicContact CG-CG1 4.3Å; F258-V263 HydrophobicContact CG-CG2 4.05Å; F258-V263 HydrophobicContact CZ-CG1 3.76Å; F258-I268 HydrophobicContact CD2-CD1 4.28Å; F258-I268 HydrophobicContact CE2-CD1 3.61Å; F258-I268 HydrophobicContact CE2-CG1 3.78Å; F258-I268 HydrophobicContact CZ-CD1 4.41Å; F258-I268 HydrophobicContact CZ-CG1 4.1Å; F258-G294 PolarHBondContact N-O 3.44Å; F258-Y296 HydrophobicContact CD2-CD2 4.13Å; F258-Y296 HydrophobicContact CD2-CE2 4.06Å; F258-Y296 HydrophobicContact CE2-CD2 4.41Å; F258-Y296 HydrophobicContact CE2-CE2 4.48Å; F258-F316 HydrophobicContact CE1-CE2 4.14Å; F258-F316 HydrophobicContact CE1-CZ 4.14Å; F258-F316 HydrophobicContact CE2-CZ 4.42Å; F258-F316 AromaticContact CZ-CE2 3.82Å; F258-F316 HydrophobicContact CZ-CE2 3.82Å; F258-F316 AromaticContact CZ-CZ 3.6Å; F258-F316 HydrophobicContact CZ-CZ 3.6Å; F258-L318 HydrophobicContact CE1-CB 4.23Å; F258-L318 HydrophobicContact CE1-CD2 4.26Å; F258-L318 HydrophobicContact CZ-CD2 3.92Å; F258-E321 HydrophobicContact CD1-CB 4.48Å; F258-G323 VanDerWaalsContact CE1-CA 3.43Å | ||
| 259 | R | 84.3 | Confident | 84.8 | Confident | 179 Ų | 179 | 49.1 Ų | 49.1 | 68% | 0.675 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -106.5 | 12.7 | 175.9 | -59.3 | -177.6 | -57.9 | 165.9 | 11.6 | 112.4 | ||
| 260 | N | 79.4 | Confident | 86.3 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -138.4 | 143 | 174.6 | -171.3 | -7.5 | 0 | 0 | 0 | 106.7 | T262 E321 | N260-T262 PolarHBondContact ND2-OG1 2.84Å; N260-T262 PolarHBondContact OD1-N 3.49Å; N260-T262 PolarHBondContact OD1-OG1 3.46Å; N260-E321 HydrophobicContact CB-CG 4.11Å; N260-E321 WeakPolarHBondContact CB-OE2 3.49Å; N260-E321 VanDerWaalsContact ND2-CD 3.33Å; N260-E321 PolarHBondContact ND2-OE1 3.44Å |
| 261 | E | 78.9 | Confident | 87.3 | Confident | 149 Ų | 149 | 46.9 Ų | 46.9 | 70% | 0.696 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -82.6 | -19.2 | -175.5 | 60.4 | -172.7 | 171.1 | 0 | 0 | 113.7 | V263 W292 | E261-V263 PolarHBondContact O-N 2.83Å; E261-W292 HydrophobicContact CB-CZ3 3.79Å |
| 262 | T | 80.4 | Confident | 87.9 | Confident | 96 Ų | 96 | 46.2 Ų | 46.2 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | trans | -73.9 | 26.2 | -173.6 | 65.6 | 0 | 0 | 0 | 0 | 114.9 | N260 | N260-T262 PolarHBondContact ND2-OG1 2.84Å; N260-T262 PolarHBondContact OD1-N 3.49Å; N260-T262 PolarHBondContact OD1-OG1 3.46Å | ||
| 263 | V | 83.7 | Confident | 88.2 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | trans | -112.6 | 107.5 | -176.2 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | F258 E261 I268 Y296 L318 E321 | F258-V263 HydrophobicContact CB-CG2 4.43Å; F258-V263 HydrophobicContact CD1-CB 4.34Å; F258-V263 HydrophobicContact CD1-CG1 4.21Å; F258-V263 HydrophobicContact CD1-CG2 3.83Å; F258-V263 HydrophobicContact CD2-CB 4.34Å; F258-V263 HydrophobicContact CD2-CG1 4.14Å; F258-V263 HydrophobicContact CE1-CG1 3.94Å; F258-V263 HydrophobicContact CE1-CG2 4.23Å; F258-V263 HydrophobicContact CE2-CG1 3.86Å; F258-V263 HydrophobicContact CG-CB 4.23Å; F258-V263 HydrophobicContact CG-CG1 4.3Å; F258-V263 HydrophobicContact CG-CG2 4.05Å; F258-V263 HydrophobicContact CZ-CG1 3.76Å; E261-V263 PolarHBondContact O-N 2.83Å; V263-I268 HydrophobicContact CG1-CD1 4.05Å; V263-I268 HydrophobicContact CG1-CG1 3.88Å; V263-Y296 PolarHBondContact O-OH 2.89Å; V263-L318 HydrophobicContact CG1-CD2 3.75Å; V263-E321 HydrophobicContact CG2-CB 4.08Å; V263-E321 HydrophobicContact CG2-CG 4.01Å | ||
| 264 | D | 87.1 | Confident | 88.1 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 43% | 0.433 | 26% | 0.256 | S | S | . | . | trans | -68.4 | 145.9 | -179.2 | -71.3 | -64.2 | 0 | 0 | 0 | 114.3 | E266 D267 I268 V388 | D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 2.96Å; D264-D267 PolarHBondContact O-N 3.45Å; D264-I268 WeakPolarHBondContact O-CG1 3.31Å; D264-I268 PolarHBondContact O-N 3.08Å; D264-V388 HydrophobicContact CB-CB 4.18Å; D264-V388 HydrophobicContact CB-CG2 3.67Å | ||
| 265 | V | 88.5 | Confident | 87.9 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 26% | 0.255 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 178.9 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | D267 I268 V269 V281 P282 Y296 | V265-D267 VanDerWaalsContact C-N 3.34Å; V265-D267 PolarHBondContact O-N 3.16Å; V265-I268 PolarHBondContact O-N 2.95Å; V265-V269 HydrophobicContact CG1-CG2 4.39Å; V265-V269 WeakPolarHBondContact O-CB 3.42Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.32Å; V265-V269 PolarHBondContact O-N 2.98Å; V265-V281 HydrophobicContact CG1-CG1 3.77Å; V265-P282 HydrophobicContact CG1-CB 4.22Å; V265-P282 HydrophobicContact CG1-CG 4.35Å; V265-Y296 HydrophobicContact CG2-CD1 4.37Å; V265-Y296 HydrophobicContact CG2-CE1 3.61Å |
| 266 | E | 88.5 | Confident | 87.6 | Confident | 128 Ų | 128 | 53.3 Ų | 53.3 | 60% | 0.598 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.6 | -34.1 | 179 | -55.2 | -162.5 | 158.5 | 0 | 0 | 112.8 | D264 V269 T270 V388 | D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 2.96Å; E266-V269 PolarHBondContact O-N 3.39Å; E266-T270 VanDerWaalsContact O-CB 3.22Å; E266-T270 WeakPolarHBondContact O-CB 3.23Å; E266-T270 PolarHBondContact O-N 2.86Å; E266-T270 PolarHBondContact O-OG1 3.23Å; E266-V388 HydrophobicContact CB-CG2 3.71Å; E266-V388 HydrophobicContact CG-CG2 4.25Å |
| 267 | D | 88.8 | Confident | 87.3 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 175.8 | -92.4 | 29.4 | 0 | 0 | 0 | 110.9 | D264 V265 T270 W271 L318 L373 F381 A387 V388 | D264-D267 PolarHBondContact O-N 3.45Å; V265-D267 VanDerWaalsContact C-N 3.34Å; V265-D267 PolarHBondContact O-N 3.16Å; D267-T270 PolarHBondContact O-N 3.29Å; D267-W271 WeakPolarHBondContact O-CB 3.45Å; D267-W271 PolarHBondContact O-N 2.93Å; D267-L318 HydrophobicContact CB-CD2 4.27Å; D267-L373 HydrophobicContact CB-CD1 3.93Å; D267-L373 WeakPolarHBondContact O-CD1 3.26Å; D267-L373 WeakPolarHBondContact OD2-CD2 3.32Å; D267-F381 WeakPolarHBondContact OD2-CE2 3.42Å; D267-F381 WeakPolarHBondContact OD2-CZ 3.45Å; D267-A387 VanDerWaalsContact OD1-CA 3.32Å; D267-A387 WeakPolarHBondContact OD1-CA 3.33Å; D267-V388 PolarHBondContact OD1-N 2.92Å |
| 268 | I | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 170.7 | -62.8 | 168.5 | 0 | 0 | 0 | 110 | I256 F258 V263 D264 V265 T270 W271 L272 P282 Y296 L318 | I256-I268 HydrophobicContact CD1-CG2 3.56Å; F258-I268 HydrophobicContact CD2-CD1 4.28Å; F258-I268 HydrophobicContact CE2-CD1 3.61Å; F258-I268 HydrophobicContact CE2-CG1 3.78Å; F258-I268 HydrophobicContact CZ-CD1 4.41Å; F258-I268 HydrophobicContact CZ-CG1 4.1Å; V263-I268 HydrophobicContact CG1-CD1 4.05Å; V263-I268 HydrophobicContact CG1-CG1 3.88Å; D264-I268 WeakPolarHBondContact O-CG1 3.31Å; D264-I268 PolarHBondContact O-N 3.08Å; V265-I268 PolarHBondContact O-N 2.95Å; I268-T270 VanDerWaalsContact C-N 3.35Å; I268-T270 PolarHBondContact O-N 3.33Å; I268-W271 PolarHBondContact O-N 2.68Å; I268-L272 HydrophobicContact CG2-CD1 3.92Å; I268-L272 HydrophobicContact CG2-CG 4.32Å; I268-L272 WeakPolarHBondContact O-CB 3.34Å; I268-L272 VanDerWaalsContact O-CG 3.24Å; I268-L272 WeakPolarHBondContact O-CG 3.2Å; I268-L272 PolarHBondContact O-N 3.22Å; I268-P282 HydrophobicContact CG2-CB 4.45Å; I268-P282 HydrophobicContact CG2-CG 3.93Å; I268-Y296 HydrophobicContact CD1-CD1 4.41Å; I268-Y296 HydrophobicContact CD1-CD2 3.54Å; I268-Y296 HydrophobicContact CD1-CE1 4.27Å; I268-Y296 HydrophobicContact CD1-CE2 3.34Å; I268-Y296 HydrophobicContact CD1-CG 4.07Å; I268-L318 HydrophobicContact CG1-CD2 4.2Å |
| 269 | V | 90.5 | Very high | 86.6 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.6 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | V265 E266 L272 K273 P282 | V265-V269 HydrophobicContact CG1-CG2 4.39Å; V265-V269 WeakPolarHBondContact O-CB 3.42Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.32Å; V265-V269 PolarHBondContact O-N 2.98Å; E266-V269 PolarHBondContact O-N 3.39Å; V269-L272 PolarHBondContact O-N 3.43Å; V269-K273 HydrophobicContact CG1-CD 3.84Å; V269-K273 HydrophobicContact CG1-CG 4.43Å; V269-K273 WeakPolarHBondContact O-CB 3.49Å; V269-K273 VanDerWaalsContact O-CG 3.26Å; V269-K273 WeakPolarHBondContact O-CG 3.37Å; V269-K273 PolarHBondContact O-N 3.28Å; V269-P282 HydrophobicContact CG2-CG 3.88Å |
| 270 | T | 89.9 | Confident | 86.5 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 179.7 | -70.2 | 0 | 0 | 0 | 0 | 112 | E266 D267 I268 L373 K386 | E266-T270 VanDerWaalsContact O-CB 3.22Å; E266-T270 WeakPolarHBondContact O-CB 3.23Å; E266-T270 PolarHBondContact O-N 2.86Å; E266-T270 PolarHBondContact O-OG1 3.23Å; D267-T270 PolarHBondContact O-N 3.29Å; I268-T270 VanDerWaalsContact C-N 3.35Å; I268-T270 PolarHBondContact O-N 3.33Å; T270-L373 HydrophobicContact CG2-CD1 3.72Å; T270-L373 HydrophobicContact CG2-CD2 4.43Å; T270-L373 HydrophobicContact CG2-CG 3.86Å; T270-K386 HydrophobicContact CG2-CB 4.29Å; T270-K386 HydrophobicContact CG2-CD 4.22Å |
| 271 | W | 91.3 | Very high | 86.7 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -50.1 | 169.9 | -178.6 | 86.7 | 0 | 0 | 0 | 111.5 | D267 I268 K273 R274 H275 L312 P313 F316 L318 L373 | D267-W271 WeakPolarHBondContact O-CB 3.45Å; D267-W271 PolarHBondContact O-N 2.93Å; I268-W271 PolarHBondContact O-N 2.68Å; W271-K273 VanDerWaalsContact C-N 3.34Å; W271-K273 PolarHBondContact O-N 3.29Å; W271-R274 WeakPolarHBondContact O-CB 3.12Å; W271-R274 PolarHBondContact O-N 3.23Å; W271-R274 VanDerWaalsContact O-N 3.08Å; W271-H275 AromaticContact CE2-CD2 3.7Å; W271-H275 AromaticContact CE2-NE2 3.82Å; W271-H275 AromaticContact CZ2-CD2 3.78Å; W271-H275 AromaticContact CZ2-NE2 3.93Å; W271-H275 AromaticContact NE1-NE2 3.79Å; W271-H275 PolarHBondContact O-CD2 3.34Å; W271-L312 HydrophobicContact CH2-CD2 4.12Å; W271-L312 HydrophobicContact CH2-CG 4.45Å; W271-L312 HydrophobicContact CZ3-CD2 3.89Å; W271-P313 HydrophobicContact CH2-CG 4.17Å; W271-P313 HydrophobicContact CZ2-CG 3.96Å; W271-F316 AromaticContact CD2-CD2 3.93Å; W271-F316 HydrophobicContact CD2-CD2 3.93Å; W271-F316 AromaticContact CD2-CE2 3.91Å; W271-F316 HydrophobicContact CD2-CE2 3.91Å; W271-F316 AromaticContact CE2-CD2 3.53Å; W271-F316 AromaticContact CE2-CG 3.84Å; W271-F316 HydrophobicContact CE3-CD2 4.34Å; W271-F316 HydrophobicContact CE3-CE2 4.02Å; W271-F316 HydrophobicContact CE3-CZ 4.17Å; W271-F316 HydrophobicContact CG-CD2 4.47Å; W271-F316 HydrophobicContact CG-CE2 4.42Å; W271-F316 HydrophobicContact CH2-CB 4.25Å; W271-F316 AromaticContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD2 4.11Å; W271-F316 HydrophobicContact CH2-CE1 4Å; W271-F316 HydrophobicContact CH2-CE2 4.38Å; W271-F316 AromaticContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CZ 4.33Å; W271-F316 HydrophobicContact CZ2-CB 3.6Å; W271-F316 AromaticContact CZ2-CD1 3.9Å; W271-F316 HydrophobicContact CZ2-CD1 3.9Å; W271-F316 AromaticContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CE1 4.49Å; W271-F316 HydrophobicContact CZ2-CE2 4.28Å; W271-F316 AromaticContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ2-CG 3.45Å; W271-F316 VanDerWaalsContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ3-CD1 4.22Å; W271-F316 HydrophobicContact CZ3-CD2 4.42Å; W271-F316 HydrophobicContact CZ3-CE1 4.05Å; W271-F316 HydrophobicContact CZ3-CE2 4.24Å; W271-F316 HydrophobicContact CZ3-CG 4.41Å; W271-F316 HydrophobicContact CZ3-CZ 4.06Å; W271-F316 AromaticContact NE1-CD2 3.81Å; W271-L318 HydrophobicContact CB-CD1 3.94Å; W271-L318 HydrophobicContact CG-CD1 4.23Å; W271-L373 HydrophobicContact CB-CD1 4.42Å |
| 272 | L | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.2 | -45.5 | -179.3 | -74.6 | 172.3 | 0 | 0 | 0 | 112.4 | L254 I256 I268 V269 R274 H275 C276 V278 P282 L312 | L254-L272 HydrophobicContact CD2-CD1 4.46Å; L254-L272 HydrophobicContact CD2-CD2 3.41Å; L254-L272 VanDerWaalsContact CD2-CD2 3.41Å; I256-L272 HydrophobicContact CD1-CD1 4.06Å; I256-L272 HydrophobicContact CD1-CD2 4.09Å; I256-L272 HydrophobicContact CD1-CG 4.34Å; I268-L272 HydrophobicContact CG2-CD1 3.92Å; I268-L272 HydrophobicContact CG2-CG 4.32Å; I268-L272 WeakPolarHBondContact O-CB 3.34Å; I268-L272 VanDerWaalsContact O-CG 3.24Å; I268-L272 WeakPolarHBondContact O-CG 3.2Å; I268-L272 PolarHBondContact O-N 3.22Å; V269-L272 PolarHBondContact O-N 3.43Å; L272-R274 PolarHBondContact O-N 3.15Å; L272-H275 PolarHBondContact O-N 3.38Å; L272-C276 PolarHBondContact O-N 3.08Å; L272-C276 VanDerWaalsContact O-O 3.05Å; L272-C276 PolarHBondContact O-SG 2.96Å; L272-V278 HydrophobicContact CB-CG2 3.5Å; L272-V278 HydrophobicContact CD1-CG2 4.11Å; L272-V278 HydrophobicContact CG-CG2 4.44Å; L272-P282 HydrophobicContact CD1-CG 4.1Å; L272-L312 HydrophobicContact CD2-CD2 3.78Å |
| 273 | K | 89.9 | Confident | 87.6 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.7 | -17.4 | 178.8 | -78.1 | 168.9 | 176.3 | 170.5 | 0 | 114.3 | V269 W271 C276 V278 R303 | V269-K273 HydrophobicContact CG1-CD 3.84Å; V269-K273 HydrophobicContact CG1-CG 4.43Å; V269-K273 WeakPolarHBondContact O-CB 3.49Å; V269-K273 VanDerWaalsContact O-CG 3.26Å; V269-K273 WeakPolarHBondContact O-CG 3.37Å; V269-K273 PolarHBondContact O-N 3.28Å; W271-K273 VanDerWaalsContact C-N 3.34Å; W271-K273 PolarHBondContact O-N 3.29Å; K273-C276 WeakPolarHBondContact CA-O 3.36Å; K273-V278 HydrophobicContact CG-CG2 4.23Å; K273-R303 PolarHBondContact O-NH1 3.39Å; K273-R303 PolarHBondContact O-NH2 3.3Å |
| 274 | R | 87 | Confident | 87.9 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -80.9 | -26.2 | 173.1 | -65.5 | 165.7 | 56.4 | -154.4 | -4.8 | 113.6 | W271 L272 R303 N372 L373 | W271-R274 WeakPolarHBondContact O-CB 3.12Å; W271-R274 PolarHBondContact O-N 3.23Å; W271-R274 VanDerWaalsContact O-N 3.08Å; L272-R274 PolarHBondContact O-N 3.15Å; R274-R303 PolarHBondContact O-NH1 2.72Å; R274-N372 PolarHBondContact NH1-O 3.12Å; R274-L373 WeakPolarHBondContact CD-O 3.48Å; R274-L373 VanDerWaalsContact NH1-C 3.31Å; R274-L373 PolarHBondContact NH1-O 3.08Å |
| 275 | H | 85.8 | Confident | 88 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -109.9 | -36.8 | -171.4 | -65.8 | -73.7 | 0 | 0 | 0 | 113.2 | W271 L272 L312 | W271-H275 AromaticContact CE2-CD2 3.7Å; W271-H275 AromaticContact CE2-NE2 3.82Å; W271-H275 AromaticContact CZ2-CD2 3.78Å; W271-H275 AromaticContact CZ2-NE2 3.93Å; W271-H275 AromaticContact NE1-NE2 3.79Å; W271-H275 PolarHBondContact O-CD2 3.34Å; L272-H275 PolarHBondContact O-N 3.38Å; H275-L312 HydrophobicContact CB-CD1 4.38Å; H275-L312 HydrophobicContact CB-CG 4.15Å |
| 276 | C | 88.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 172.4 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | L272 K273 I300 E301 L302 R303 L312 | L272-C276 PolarHBondContact O-N 3.08Å; L272-C276 VanDerWaalsContact O-O 3.05Å; L272-C276 PolarHBondContact O-SG 2.96Å; K273-C276 WeakPolarHBondContact CA-O 3.36Å; C276-I300 HydrophobicContact CB-CB 4.35Å; C276-I300 HydrophobicContact CB-CD1 4.03Å; C276-E301 WeakPolarHBondContact CB-O 3.06Å; C276-L302 HydrophobicContact CB-CD2 4.46Å; C276-R303 PolarHBondContact O-NH2 3.44Å; C276-L312 HydrophobicContact CB-CD1 3.92Å |
| 277 | D | 85.3 | Confident | 88.2 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.3 | 174 | -62 | -65.6 | 0 | 0 | 0 | 108.9 | I300 E301 R303 | D277-I300 CarbonylContact O-C 3.57Å; D277-I300 VanDerWaalsContact O-CA 3.31Å; D277-I300 WeakPolarHBondContact O-CA 3.46Å; D277-E301 PolarHBondContact N-O 3.46Å; D277-E301 PolarHBondContact O-N 3.37Å; D277-R303 IonicContact OD1-CZ 3.07Å; D277-R303 IonicContact OD1-NE 2.91Å; D277-R303 PolarHBondContact OD1-NE 2.84Å; D277-R303 IonicContact OD1-NH2 3.27Å; D277-R303 PolarHBondContact OD1-NH2 3.25Å; D277-R303 WeakPolarHBondContact OD2-CG 3.45Å; D277-R303 IonicContact OD2-CZ 3.4Å; D277-R303 IonicContact OD2-NE 3.08Å; D277-R303 PolarHBondContact OD2-NE 3.49Å; D277-R303 IonicContact OD2-NH2 2.75Å |
| 278 | V | 86.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 113.3 | -171.5 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | L272 K273 A280 | L272-V278 HydrophobicContact CB-CG2 3.5Å; L272-V278 HydrophobicContact CD1-CG2 4.11Å; L272-V278 HydrophobicContact CG-CG2 4.44Å; K273-V278 HydrophobicContact CG-CG2 4.23Å; V278-A280 WeakPolarHBondContact CG1-O 3.42Å |
| 279 | L | 83.1 | Confident | 88.3 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 48% | 0.482 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -86.8 | -36.3 | -177.4 | -54 | 178.2 | 0 | 0 | 0 | 111.4 | L251 E299 E301 | L251-L279 HydrophobicContact CD1-CD1 3.92Å; L251-L279 HydrophobicContact CG-CD1 4.18Å; L279-E299 HydrophobicContact CB-CB 4.27Å; L279-E299 WeakPolarHBondContact CB-O 3.46Å; L279-E299 PolarHBondContact N-O 3.44Å; L279-E301 HydrophobicContact CD1-CB 4.41Å; L279-E301 HydrophobicContact CD2-CB 4.48Å |
| 280 | A | 81.3 | Confident | 88.2 | Confident | 42 Ų | 42 | 67.8 Ų | 67.8 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -130.2 | 141.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V278 C298 E299 | V278-A280 WeakPolarHBondContact CG1-O 3.42Å; A280-C298 WeakPolarHBondContact O-CB 3.31Å; A280-E299 HydrophobicContact CB-CB 4.32Å; A280-E299 PolarHBondContact N-O 3.38Å |
| 281 | V | 84.1 | Confident | 88.2 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 61% | 0.606 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 137.3 | 175.5 | -179 | 0 | 0 | 0 | 0 | 109.8 | V265 V283 | V265-V281 HydrophobicContact CG1-CG1 3.77Å; V281-V283 PolarHBondContact O-N 3.04Å |
| 282 | P | 89.5 | Confident | 88.1 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 123.4 | 176.9 | -22.4 | 32.1 | 0 | 0 | 0 | 112.8 | V265 I268 V269 L272 Y296 K297 C298 | V265-P282 HydrophobicContact CG1-CB 4.22Å; V265-P282 HydrophobicContact CG1-CG 4.35Å; I268-P282 HydrophobicContact CG2-CB 4.45Å; I268-P282 HydrophobicContact CG2-CG 3.93Å; V269-P282 HydrophobicContact CG2-CG 3.88Å; L272-P282 HydrophobicContact CD1-CG 4.1Å; P282-Y296 HydrophobicContact CB-CD1 4.28Å; P282-K297 WeakPolarHBondContact CA-O 3.33Å; P282-C298 HydrophobicContact CB-CB 4.3Å; P282-C298 HydrophobicContact CG-CB 4.13Å |
| 283 | V | 88.4 | Confident | 88 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.2 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V281 V285 Y296 K297 | V281-V283 PolarHBondContact O-N 3.04Å; V283-V285 PolarHBondContact O-N 3.26Å; V283-Y296 CarbonylContact O-C 3.46Å; V283-Y296 WeakPolarHBondContact O-CA 3.34Å; V283-K297 PolarHBondContact N-O 3.39Å; V283-K297 PolarHBondContact O-N 3.41Å |
| 284 | K | 90.4 | Very high | 87.8 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 127.1 | 171.6 | -75.4 | -170.7 | 174.9 | -167.9 | 0 | 109.7 | W292 Y296 | K284-W292 HydrophobicContact CB-CG 4.1Å; K284-W292 HydrophobicContact CD-CB 4.48Å; K284-W292 HydrophobicContact CD-CD2 3.79Å; K284-W292 HydrophobicContact CD-CE3 4.26Å; K284-W292 HydrophobicContact CD-CG 3.87Å; K284-W292 HydrophobicContact CG-CD2 4.22Å; K284-W292 HydrophobicContact CG-CG 4.16Å; K284-Y296 HydrophobicContact CB-CE1 4.48Å; K284-Y296 HydrophobicContact CD-CE1 4.26Å; K284-Y296 VanDerWaalsContact CE-OH 3.3Å; K284-Y296 WeakPolarHBondContact CE-OH 3.2Å; K284-Y296 HydrophobicContact CG-CD1 3.88Å; K284-Y296 HydrophobicContact CG-CE1 3.36Å |
| 285 | V | 89.1 | Confident | 88 | Confident | 40 Ų | 40 | 70 Ų | 70 | 24% | 0.242 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.8 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | V283 T293 E295 K297 | V283-V285 PolarHBondContact O-N 3.26Å; V285-T293 PolarHBondContact O-N 3.35Å; V285-T293 PolarHBondContact O-OG1 3.42Å; V285-E295 HydrophobicContact CB-CB 4.07Å; V285-E295 HydrophobicContact CG2-CB 4.1Å; V285-E295 PolarHBondContact N-O 3.4Å; V285-K297 HydrophobicContact CG2-CB 3.79Å |
| 286 | T | 91.1 | Very high | 88.3 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 153.8 | 175.6 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | G290 I291 | T286-G290 WeakPolarHBondContact CG2-O 3.45Å; T286-I291 CarbonylContact C-O 3.49Å; T286-I291 VanDerWaalsContact CA-O 3.23Å; T286-I291 WeakPolarHBondContact CA-O 3.43Å |
| 287 | D | 90.1 | Very high | 88.5 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | trans | -77.7 | -174.1 | 167.8 | 76.8 | -0.7 | 0 | 0 | 0 | 111.9 | F289 G290 I291 T293 | D287-F289 PolarHBondContact O-N 3.26Å; D287-F289 VanDerWaalsContact O-N 3.12Å; D287-F289 WeakPolarHBondContact OD1-CA 3.24Å; D287-F289 WeakPolarHBondContact OD1-CB 3.42Å; D287-F289 PolarHBondContact OD1-N 3.47Å; D287-F289 WeakPolarHBondContact OD2-CD2 3.26Å; D287-G290 PolarHBondContact O-N 2.7Å; D287-G290 VanDerWaalsContact O-N 3.08Å; D287-G290 PolarHBondContact OD1-N 2.97Å; D287-I291 PolarHBondContact N-O 3.28Å; D287-I291 PolarHBondContact OD1-N 2.59Å; D287-T293 HydrophobicContact CB-CG2 4.27Å | ||
| 288 | R | 90.8 | Very high | 88.7 | Confident | 223 Ų | 223 | 67.6 Ų | 67.6 | 84% | 0.842 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.1 | 179.1 | 76.9 | -176.5 | -166.3 | -153.6 | 9.4 | 114.9 | ||
| 289 | F | 91.4 | Very high | 88.6 | Confident | 138 Ų | 138 | 67.6 Ų | 67.6 | 61% | 0.605 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 1.9 | 178.8 | -55.7 | -70.7 | 0 | 0 | 0 | 112 | D287 I291 | D287-F289 PolarHBondContact O-N 3.26Å; D287-F289 VanDerWaalsContact O-N 3.12Å; D287-F289 WeakPolarHBondContact OD1-CA 3.24Å; D287-F289 WeakPolarHBondContact OD1-CB 3.42Å; D287-F289 PolarHBondContact OD1-N 3.47Å; D287-F289 WeakPolarHBondContact OD2-CD2 3.26Å; F289-I291 VanDerWaalsContact C-N 3.31Å; F289-I291 HydrophobicContact CB-CD1 4.11Å; F289-I291 HydrophobicContact CB-CG1 4.13Å |
| 290 | G | 86.9 | Confident | 88.8 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 81.3 | 6.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T286 D287 | T286-G290 WeakPolarHBondContact CG2-O 3.45Å; D287-G290 PolarHBondContact O-N 2.7Å; D287-G290 VanDerWaalsContact O-N 3.08Å; D287-G290 PolarHBondContact OD1-N 2.97Å |
| 291 | I | 89.9 | Confident | 88.9 | Confident | 107 Ų | 107 | 63.3 Ų | 63.3 | 55% | 0.549 | 33% | 0.326 | S | S | . | . | trans | -82.9 | 130.4 | -178.3 | -57 | 173.1 | 0 | 0 | 0 | 108.9 | T286 D287 F289 T293 | T286-I291 CarbonylContact C-O 3.49Å; T286-I291 VanDerWaalsContact CA-O 3.23Å; T286-I291 WeakPolarHBondContact CA-O 3.43Å; D287-I291 PolarHBondContact N-O 3.28Å; D287-I291 PolarHBondContact OD1-N 2.59Å; F289-I291 VanDerWaalsContact C-N 3.31Å; F289-I291 HydrophobicContact CB-CD1 4.11Å; F289-I291 HydrophobicContact CB-CG1 4.13Å; I291-T293 PolarHBondContact O-N 3.21Å | ||
| 292 | W | 90.4 | Very high | 89.1 | Confident | 57 Ų | 57 | 58.6 Ų | 58.6 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128.4 | -180 | 175.7 | 44.4 | 0 | 0 | 0 | 111.8 | E261 K284 G294 E295 Y296 | E261-W292 HydrophobicContact CB-CZ3 3.79Å; K284-W292 HydrophobicContact CB-CG 4.1Å; K284-W292 HydrophobicContact CD-CB 4.48Å; K284-W292 HydrophobicContact CD-CD2 3.79Å; K284-W292 HydrophobicContact CD-CE3 4.26Å; K284-W292 HydrophobicContact CD-CG 3.87Å; K284-W292 HydrophobicContact CG-CD2 4.22Å; K284-W292 HydrophobicContact CG-CG 4.16Å; W292-G294 VanDerWaalsContact C-N 3.27Å; W292-G294 VanDerWaalsContact CE2-CA 3.44Å; W292-G294 PolarHBondContact O-N 3.18Å; W292-E295 PolarHBondContact NE1-O 3.19Å; W292-Y296 HydrophobicContact CH2-CE2 4.07Å; W292-Y296 HydrophobicContact CZ2-CD2 4.09Å; W292-Y296 HydrophobicContact CZ2-CE1 4.37Å; W292-Y296 AromaticContact CZ2-CE2 3.43Å; W292-Y296 HydrophobicContact CZ2-CE2 3.43Å; W292-Y296 VanDerWaalsContact CZ2-CE2 3.43Å; W292-Y296 AromaticContact CZ2-CZ 3.61Å |
| 293 | T | 87.9 | Confident | 88.9 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 0 | -175.8 | 59.7 | 0 | 0 | 0 | 0 | 115.1 | V285 D287 I291 E295 | V285-T293 PolarHBondContact O-N 3.35Å; V285-T293 PolarHBondContact O-OG1 3.42Å; D287-T293 HydrophobicContact CB-CG2 4.27Å; I291-T293 PolarHBondContact O-N 3.21Å; T293-E295 PolarHBondContact O-N 2.96Å; T293-E295 WeakPolarHBondContact OG1-CB 3.42Å; T293-E295 PolarHBondContact OG1-N 3.01Å |
| 294 | G | 87.3 | Confident | 88.6 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.7 | -8.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F258 W292 | F258-G294 PolarHBondContact N-O 3.44Å; W292-G294 VanDerWaalsContact C-N 3.27Å; W292-G294 VanDerWaalsContact CE2-CA 3.44Å; W292-G294 PolarHBondContact O-N 3.18Å |
| 295 | E | 91.4 | Very high | 87.6 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.9 | -179.3 | -56.2 | -173 | 146 | 0 | 0 | 113.3 | I256 L257 V285 W292 T293 W326 | I256-E295 CarbonylContact O-C 3.55Å; I256-E295 WeakPolarHBondContact O-CA 3.26Å; L257-E295 HydrophobicContact CB-CG 4.48Å; L257-E295 HydrophobicContact CD1-CG 3.96Å; V285-E295 HydrophobicContact CB-CB 4.07Å; V285-E295 HydrophobicContact CG2-CB 4.1Å; V285-E295 PolarHBondContact N-O 3.4Å; W292-E295 PolarHBondContact NE1-O 3.19Å; T293-E295 PolarHBondContact O-N 2.96Å; T293-E295 WeakPolarHBondContact OG1-CB 3.42Å; T293-E295 PolarHBondContact OG1-N 3.01Å; E295-W326 HydrophobicContact CG-CH2 4.16Å; E295-W326 VanDerWaalsContact OE1-CH2 3.25Å; E295-W326 WeakPolarHBondContact OE1-CH2 3.36Å; E295-W326 VanDerWaalsContact OE1-CZ2 3.22Å; E295-W326 WeakPolarHBondContact OE1-CZ2 3.36Å |
| 296 | Y | 91.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.8 | 171.3 | -68.9 | -82.6 | 0 | 0 | 0 | 110.2 | F255 I256 F258 V263 V265 I268 P282 V283 K284 W292 | F255-Y296 CarbonylContact C-O 3.49Å; F255-Y296 WeakPolarHBondContact CA-O 3.44Å; I256-Y296 PolarHBondContact N-O 3.28Å; I256-Y296 PolarHBondContact O-N 3.32Å; F258-Y296 HydrophobicContact CD2-CD2 4.13Å; F258-Y296 HydrophobicContact CD2-CE2 4.06Å; F258-Y296 HydrophobicContact CE2-CD2 4.41Å; F258-Y296 HydrophobicContact CE2-CE2 4.48Å; V263-Y296 PolarHBondContact O-OH 2.89Å; V265-Y296 HydrophobicContact CG2-CD1 4.37Å; V265-Y296 HydrophobicContact CG2-CE1 3.61Å; I268-Y296 HydrophobicContact CD1-CD1 4.41Å; I268-Y296 HydrophobicContact CD1-CD2 3.54Å; I268-Y296 HydrophobicContact CD1-CE1 4.27Å; I268-Y296 HydrophobicContact CD1-CE2 3.34Å; I268-Y296 HydrophobicContact CD1-CG 4.07Å; P282-Y296 HydrophobicContact CB-CD1 4.28Å; V283-Y296 CarbonylContact O-C 3.46Å; V283-Y296 WeakPolarHBondContact O-CA 3.34Å; K284-Y296 HydrophobicContact CB-CE1 4.48Å; K284-Y296 HydrophobicContact CD-CE1 4.26Å; K284-Y296 VanDerWaalsContact CE-OH 3.3Å; K284-Y296 WeakPolarHBondContact CE-OH 3.2Å; K284-Y296 HydrophobicContact CG-CD1 3.88Å; K284-Y296 HydrophobicContact CG-CE1 3.36Å; W292-Y296 HydrophobicContact CH2-CE2 4.07Å; W292-Y296 HydrophobicContact CZ2-CD2 4.09Å; W292-Y296 HydrophobicContact CZ2-CE1 4.37Å; W292-Y296 AromaticContact CZ2-CE2 3.43Å; W292-Y296 HydrophobicContact CZ2-CE2 3.43Å; W292-Y296 VanDerWaalsContact CZ2-CE2 3.43Å; W292-Y296 AromaticContact CZ2-CZ 3.61Å |
| 297 | K | 90.8 | Very high | 84.8 | Confident | 64 Ų | 64 | 71 Ų | 71 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.4 | 174.9 | -177.2 | -172.2 | 175.4 | -170.4 | 0 | 110.3 | E210 T253 F255 P282 V283 V285 | E210-K297 VanDerWaalsContact OE1-CE 3.26Å; E210-K297 WeakPolarHBondContact OE1-CE 3.2Å; E210-K297 IonicContact OE1-NZ 2.68Å; E210-K297 PolarHBondContact OE1-NZ 3.42Å; T253-K297 HydrophobicContact CG2-CD 4.31Å; T253-K297 HydrophobicContact CG2-CG 3.95Å; F255-K297 HydrophobicContact CD1-CB 4.46Å; F255-K297 HydrophobicContact CE1-CB 4.37Å; F255-K297 HydrophobicContact CE1-CD 4.37Å; F255-K297 HydrophobicContact CE1-CG 4.15Å; F255-K297 HydrophobicContact CZ-CG 4.47Å; P282-K297 WeakPolarHBondContact CA-O 3.33Å; V283-K297 PolarHBondContact N-O 3.39Å; V283-K297 PolarHBondContact O-N 3.41Å; V285-K297 HydrophobicContact CG2-CB 3.79Å |
| 298 | C | 89.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 3% | 0.027 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 164.9 | 170.3 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | T253 L254 A280 P282 | T253-C298 WeakPolarHBondContact CA-O 3.48Å; L254-C298 PolarHBondContact N-O 2.8Å; L254-C298 PolarHBondContact O-N 3.43Å; A280-C298 WeakPolarHBondContact O-CB 3.31Å; P282-C298 HydrophobicContact CB-CB 4.3Å; P282-C298 HydrophobicContact CG-CB 4.13Å |
| 299 | E | 83.9 | Confident | 83.3 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 135.3 | 165.8 | -67.3 | -156.3 | 123.8 | 0 | 0 | 110.3 | R167 L279 A280 | R167-E299 IonicContact CZ-OE1 3.74Å; R167-E299 IonicContact NH1-OE1 3.98Å; R167-E299 PolarHBondContact NH1-OE1 3.42Å; L279-E299 HydrophobicContact CB-CB 4.27Å; L279-E299 WeakPolarHBondContact CB-O 3.46Å; L279-E299 PolarHBondContact N-O 3.44Å; A280-E299 HydrophobicContact CB-CB 4.32Å; A280-E299 PolarHBondContact N-O 3.38Å |
| 300 | I | 87.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154 | -178.8 | 62.8 | 160.2 | 0 | 0 | 0 | 111.6 | L251 K252 L254 C276 D277 L302 L312 | L251-I300 WeakPolarHBondContact CA-O 3.42Å; K252-I300 HydrophobicContact CB-CG1 4.07Å; K252-I300 PolarHBondContact N-O 3.09Å; K252-I300 WeakPolarHBondContact O-CG1 3.38Å; K252-I300 PolarHBondContact O-N 2.75Å; L254-I300 HydrophobicContact CB-CD1 4.03Å; L254-I300 HydrophobicContact CB-CG1 4Å; L254-I300 HydrophobicContact CB-CG2 4.42Å; L254-I300 HydrophobicContact CD2-CD1 4.07Å; L254-I300 HydrophobicContact CD2-CG2 4.3Å; C276-I300 HydrophobicContact CB-CB 4.35Å; C276-I300 HydrophobicContact CB-CD1 4.03Å; D277-I300 CarbonylContact O-C 3.57Å; D277-I300 VanDerWaalsContact O-CA 3.31Å; D277-I300 WeakPolarHBondContact O-CA 3.46Å; I300-L302 HydrophobicContact CD1-CD2 3.75Å; I300-L302 HydrophobicContact CD1-CG 4.37Å; I300-L312 HydrophobicContact CD1-CD1 3.92Å; I300-L312 HydrophobicContact CD1-CD2 4.42Å |
| 301 | E | 84.6 | Confident | 82.9 | Confident | 44 Ų | 44 | 62 Ų | 62 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.1 | 160.6 | -172.1 | 164.1 | -172.1 | 0 | 0 | 110.5 | K248 S250 C276 D277 L279 | K248-E301 VanDerWaalsContact CD-OE1 3.26Å; K248-E301 WeakPolarHBondContact CD-OE1 3.4Å; K248-E301 WeakPolarHBondContact CE-OE1 3.47Å; K248-E301 IonicContact NZ-OE1 3.51Å; K248-E301 PolarHBondContact NZ-OE1 2.83Å; K248-E301 IonicContact NZ-OE2 2.69Å; K248-E301 PolarHBondContact NZ-OE2 2.82Å; S250-E301 PolarHBondContact OG-OE1 3.41Å; C276-E301 WeakPolarHBondContact CB-O 3.06Å; D277-E301 PolarHBondContact N-O 3.46Å; D277-E301 PolarHBondContact O-N 3.37Å; L279-E301 HydrophobicContact CD1-CB 4.41Å; L279-E301 HydrophobicContact CD2-CB 4.48Å |
| 302 | L | 87.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.5 | 175.1 | -61.6 | 170.5 | 0 | 0 | 0 | 110.7 | S250 K252 C276 I300 V309 L312 Y327 | S250-L302 WeakPolarHBondContact CB-O 3.49Å; S250-L302 WeakPolarHBondContact O-CB 2.86Å; S250-L302 VanDerWaalsContact O-CG 3.31Å; S250-L302 WeakPolarHBondContact O-CG 3.46Å; S250-L302 PolarHBondContact O-N 3.25Å; K252-L302 HydrophobicContact CD-CD1 4.4Å; K252-L302 HydrophobicContact CG-CD1 3.7Å; K252-L302 HydrophobicContact CG-CG 4.09Å; C276-L302 HydrophobicContact CB-CD2 4.46Å; I300-L302 HydrophobicContact CD1-CD2 3.75Å; I300-L302 HydrophobicContact CD1-CG 4.37Å; L302-V309 HydrophobicContact CB-CG1 3.32Å; L302-V309 HydrophobicContact CD1-CG1 3.56Å; L302-V309 HydrophobicContact CG-CG1 4.07Å; L302-L312 HydrophobicContact CD2-CD1 3.3Å; L302-Y327 HydrophobicContact CD1-CE2 3.78Å; L302-Y327 HydrophobicContact CD2-CE1 4.2Å |
| 303 | R | 85.6 | Confident | 82.6 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 30% | 0.302 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 147.5 | 177.9 | -68.2 | 173.2 | -175.8 | 151.1 | 2.6 | 111.5 | K273 R274 C276 D277 R310 | K273-R303 PolarHBondContact O-NH1 3.39Å; K273-R303 PolarHBondContact O-NH2 3.3Å; R274-R303 PolarHBondContact O-NH1 2.72Å; C276-R303 PolarHBondContact O-NH2 3.44Å; D277-R303 IonicContact OD1-CZ 3.07Å; D277-R303 IonicContact OD1-NE 2.91Å; D277-R303 PolarHBondContact OD1-NE 2.84Å; D277-R303 IonicContact OD1-NH2 3.27Å; D277-R303 PolarHBondContact OD1-NH2 3.25Å; D277-R303 WeakPolarHBondContact OD2-CG 3.45Å; D277-R303 IonicContact OD2-CZ 3.4Å; D277-R303 IonicContact OD2-NE 3.08Å; D277-R303 PolarHBondContact OD2-NE 3.49Å; D277-R303 IonicContact OD2-NH2 2.75Å; R303-R310 VanDerWaalsContact O-CB 3.25Å; R303-R310 WeakPolarHBondContact O-CB 3.42Å; R303-R310 PolarHBondContact O-N 2.99Å |
| 304 | Q | 81.8 | Confident | 82.5 | Confident | 160 Ų | 160 | 55 Ų | 55 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 166.8 | 170 | -59.7 | -169.2 | 26 | 0 | 0 | 111.2 | G308 | Q304-G308 CarbonylContact C-O 3.36Å |
| 305 | G | 70.1 | Confident | 82.5 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | -179 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G307 G308 | G305-G307 PolarHBondContact O-N 2.79Å; G305-G308 PolarHBondContact N-O 3.27Å; G305-G308 PolarHBondContact O-N 3.17Å |
| 306 | E | 59.8 | Low | 82.3 | Confident | 208 Ų | 208 | 53.2 Ų | 53.2 | 97% | 0.972 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.6 | -167.8 | -62.8 | 154.7 | 154.9 | 0 | 0 | 114.9 | ||
| 307 | G | 60.1 | Low | 82.1 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 88% | 0.876 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | 25.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | G305 | G305-G307 PolarHBondContact O-N 2.79Š|
| 308 | G | 72.7 | Confident | 81.8 | Confident | 41 Ų | 41 | 53 Ų | 53 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | -141.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q304 G305 R310 | Q304-G308 CarbonylContact C-O 3.36Å; G305-G308 PolarHBondContact N-O 3.27Å; G305-G308 PolarHBondContact O-N 3.17Å; G308-R310 PolarHBondContact O-N 2.79Å |
| 309 | V | 78.2 | Confident | 81.4 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127 | -171.8 | -175 | 0 | 0 | 0 | 0 | 111.7 | L302 H311 | L302-V309 HydrophobicContact CB-CG1 3.32Å; L302-V309 HydrophobicContact CD1-CG1 3.56Å; L302-V309 HydrophobicContact CG-CG1 4.07Å; V309-H311 PolarHBondContact O-CD2 2.95Å; V309-H311 PolarHBondContact O-N 2.97Å; V309-H311 VanDerWaalsContact O-N 3.07Å |
| 310 | R | 82.7 | Confident | 81.3 | Confident | 146 Ų | 146 | 56.3 Ų | 56.3 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | trans | -78.4 | 91.3 | 177.3 | -169.5 | -178.4 | -64.8 | -115.7 | -0.5 | 110.2 | R303 G308 | R303-R310 VanDerWaalsContact O-CB 3.25Å; R303-R310 WeakPolarHBondContact O-CB 3.42Å; R303-R310 PolarHBondContact O-N 2.99Å; G308-R310 PolarHBondContact O-N 2.79Å | ||
| 311 | H | 86.1 | Confident | 81.3 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 31% | 0.31 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 140.1 | 178.8 | -66.6 | -77.4 | 0 | 0 | 0 | 113.2 | V309 Y327 P331 | V309-H311 PolarHBondContact O-CD2 2.95Å; V309-H311 PolarHBondContact O-N 2.97Å; V309-H311 VanDerWaalsContact O-N 3.07Å; H311-Y327 WeakPolarHBondContact CA-OH 3.32Å; H311-Y327 VanDerWaalsContact CB-OH 3.26Å; H311-Y327 WeakPolarHBondContact CB-OH 3.48Å; H311-Y327 AromaticContact ND1-CE2 3.8Å; H311-Y327 AromaticContact ND1-CZ 3.75Å; H311-Y327 PolarHBondContact ND1-OH 3.5Å; H311-P331 HydrophobicContact CB-CG 3.97Å; H311-P331 WeakPolarHBondContact ND1-CD 3.22Å |
| 312 | L | 88.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -62 | 152.8 | 166.6 | -79.2 | 69.3 | 0 | 0 | 0 | 111.6 | L254 W271 L272 H275 C276 I300 L302 Y327 Q330 | L254-L312 HydrophobicContact CD1-CD2 4.25Å; L254-L312 HydrophobicContact CD2-CD2 3.73Å; W271-L312 HydrophobicContact CH2-CD2 4.12Å; W271-L312 HydrophobicContact CH2-CG 4.45Å; W271-L312 HydrophobicContact CZ3-CD2 3.89Å; L272-L312 HydrophobicContact CD2-CD2 3.78Å; H275-L312 HydrophobicContact CB-CD1 4.38Å; H275-L312 HydrophobicContact CB-CG 4.15Å; C276-L312 HydrophobicContact CB-CD1 3.92Å; I300-L312 HydrophobicContact CD1-CD1 3.92Å; I300-L312 HydrophobicContact CD1-CD2 4.42Å; L302-L312 HydrophobicContact CD2-CD1 3.3Å; L312-Y327 HydrophobicContact CB-CE1 4.3Å; L312-Y327 HydrophobicContact CD1-CE1 4.5Å; L312-Y327 PolarHBondContact N-OH 2.87Å; L312-Q330 PolarHBondContact O-NE2 3.38Å |
| 313 | P | 86.1 | Confident | 81.6 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 136.2 | 170.9 | 32.3 | -35.8 | 0 | 0 | 0 | 111.2 | W271 A315 F316 S325 | W271-P313 HydrophobicContact CH2-CG 4.17Å; W271-P313 HydrophobicContact CZ2-CG 3.96Å; P313-A315 PolarHBondContact O-N 3.22Å; P313-F316 HydrophobicContact CG-CB 4.31Å; P313-S325 PolarHBondContact O-OG 2.88Å |
| 314 | G | 86.1 | Confident | 81.8 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 32% | 0.32 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -66 | -16.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S325 | G314-S325 WeakPolarHBondContact CA-O 3.47Å; G314-S325 PolarHBondContact O-N 3.32Å |
| 315 | A | 86.8 | Confident | 82.3 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | P313 G323 Y324 F335 | P313-A315 PolarHBondContact O-N 3.22Å; A315-G323 CarbonylContact C-O 3.53Å; A315-G323 WeakPolarHBondContact CA-O 3.48Å; A315-Y324 HydrophobicContact CB-CD1 3.85Å; A315-Y324 HydrophobicContact CB-CE1 4.1Å; A315-F335 HydrophobicContact CB-CD2 3.84Å; A315-F335 HydrophobicContact CB-CE2 3.66Å; A315-F335 WeakPolarHBondContact O-CE2 3.45Å |
| 316 | F | 88.1 | Confident | 83.4 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 175.8 | -176.8 | 63.4 | -80.5 | 0 | 0 | 0 | 111.1 | I256 F258 W271 P313 L318 R322 G323 | I256-F316 HydrophobicContact CG2-CE1 4.01Å; I256-F316 HydrophobicContact CG2-CZ 3.81Å; F258-F316 HydrophobicContact CE1-CE2 4.14Å; F258-F316 HydrophobicContact CE1-CZ 4.14Å; F258-F316 HydrophobicContact CE2-CZ 4.42Å; F258-F316 AromaticContact CZ-CE2 3.82Å; F258-F316 HydrophobicContact CZ-CE2 3.82Å; F258-F316 AromaticContact CZ-CZ 3.6Å; F258-F316 HydrophobicContact CZ-CZ 3.6Å; W271-F316 AromaticContact CD2-CD2 3.93Å; W271-F316 HydrophobicContact CD2-CD2 3.93Å; W271-F316 AromaticContact CD2-CE2 3.91Å; W271-F316 HydrophobicContact CD2-CE2 3.91Å; W271-F316 AromaticContact CE2-CD2 3.53Å; W271-F316 AromaticContact CE2-CG 3.84Å; W271-F316 HydrophobicContact CE3-CD2 4.34Å; W271-F316 HydrophobicContact CE3-CE2 4.02Å; W271-F316 HydrophobicContact CE3-CZ 4.17Å; W271-F316 HydrophobicContact CG-CD2 4.47Å; W271-F316 HydrophobicContact CG-CE2 4.42Å; W271-F316 HydrophobicContact CH2-CB 4.25Å; W271-F316 AromaticContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD2 4.11Å; W271-F316 HydrophobicContact CH2-CE1 4Å; W271-F316 HydrophobicContact CH2-CE2 4.38Å; W271-F316 AromaticContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CZ 4.33Å; W271-F316 HydrophobicContact CZ2-CB 3.6Å; W271-F316 AromaticContact CZ2-CD1 3.9Å; W271-F316 HydrophobicContact CZ2-CD1 3.9Å; W271-F316 AromaticContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CE1 4.49Å; W271-F316 HydrophobicContact CZ2-CE2 4.28Å; W271-F316 AromaticContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ2-CG 3.45Å; W271-F316 VanDerWaalsContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ3-CD1 4.22Å; W271-F316 HydrophobicContact CZ3-CD2 4.42Å; W271-F316 HydrophobicContact CZ3-CE1 4.05Å; W271-F316 HydrophobicContact CZ3-CE2 4.24Å; W271-F316 HydrophobicContact CZ3-CG 4.41Å; W271-F316 HydrophobicContact CZ3-CZ 4.06Å; W271-F316 AromaticContact NE1-CD2 3.81Å; P313-F316 HydrophobicContact CG-CB 4.31Å; F316-L318 HydrophobicContact CE2-CB 4.24Å; F316-L318 HydrophobicContact CE2-CD2 4.46Å; F316-R322 WeakPolarHBondContact O-CA 3.37Å; F316-G323 WeakPolarHBondContact CD1-O 3.39Å; F316-G323 PolarHBondContact N-O 3.29Å; F316-G323 PolarHBondContact O-N 2.72Å |
| 317 | F | 86.1 | Confident | 84.8 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140 | 172.1 | -70.9 | -77.4 | 0 | 0 | 0 | 110.9 | E321 R322 F335 F353 | F317-E321 CarbonylContact C-O 3.5Å; F317-E321 VanDerWaalsContact CA-O 3.23Å; F317-E321 WeakPolarHBondContact CA-O 2.98Å; F317-R322 HydrophobicContact CD1-CB 4.12Å; F317-R322 HydrophobicContact CD1-CG 4.46Å; F317-R322 HydrophobicContact CE1-CB 3.98Å; F317-R322 HydrophobicContact CE1-CG 4.22Å; F317-F335 HydrophobicContact CD2-CZ 4.02Å; F317-F335 AromaticContact CE2-CE1 3.86Å; F317-F335 HydrophobicContact CE2-CE1 3.86Å; F317-F335 AromaticContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CE2-CZ 3.43Å; F317-F335 VanDerWaalsContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CZ-CE1 4.31Å; F317-F335 AromaticContact CZ-CZ 3.99Å; F317-F335 HydrophobicContact CZ-CZ 3.99Å; F317-F353 HydrophobicContact CE2-CE1 4.45Å |
| 318 | L | 85.8 | Confident | 85.8 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 103.4 | 176.2 | -162 | 59.3 | 0 | 0 | 0 | 106.7 | F258 V263 D267 I268 W271 F316 A320 E321 L373 F381 | F258-L318 HydrophobicContact CE1-CB 4.23Å; F258-L318 HydrophobicContact CE1-CD2 4.26Å; F258-L318 HydrophobicContact CZ-CD2 3.92Å; V263-L318 HydrophobicContact CG1-CD2 3.75Å; D267-L318 HydrophobicContact CB-CD2 4.27Å; I268-L318 HydrophobicContact CG1-CD2 4.2Å; W271-L318 HydrophobicContact CB-CD1 3.94Å; W271-L318 HydrophobicContact CG-CD1 4.23Å; F316-L318 HydrophobicContact CE2-CB 4.24Å; F316-L318 HydrophobicContact CE2-CD2 4.46Å; L318-A320 PolarHBondContact O-N 2.9Å; L318-E321 PolarHBondContact N-O 2.76Å; L318-E321 WeakPolarHBondContact O-CB 3.38Å; L318-E321 PolarHBondContact O-N 2.97Å; L318-L373 HydrophobicContact CD1-CB 4.28Å; L318-L373 HydrophobicContact CD1-CD1 3.73Å; L318-F381 HydrophobicContact CD1-CE2 4.25Å; L318-F381 HydrophobicContact CG-CE2 4.2Å |
| 319 | G | 81.9 | Confident | 86 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | -128.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 112 | F381 | G319-F381 VanDerWaalsContact CA-CD1 3.41Š|
| 320 | A | 81.2 | Confident | 86.4 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 77% | 0.769 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -21 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | L318 | L318-A320 PolarHBondContact O-N 2.9Š|
| 321 | E | 87.1 | Confident | 86.4 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 146.3 | -169.7 | -71.9 | -53 | 142.3 | 0 | 0 | 113.7 | F258 N260 V263 F317 L318 | F258-E321 HydrophobicContact CD1-CB 4.48Å; N260-E321 HydrophobicContact CB-CG 4.11Å; N260-E321 WeakPolarHBondContact CB-OE2 3.49Å; N260-E321 VanDerWaalsContact ND2-CD 3.33Å; N260-E321 PolarHBondContact ND2-OE1 3.44Å; V263-E321 HydrophobicContact CG2-CB 4.08Å; V263-E321 HydrophobicContact CG2-CG 4.01Å; F317-E321 CarbonylContact C-O 3.5Å; F317-E321 VanDerWaalsContact CA-O 3.23Å; F317-E321 WeakPolarHBondContact CA-O 2.98Å; L318-E321 PolarHBondContact N-O 2.76Å; L318-E321 WeakPolarHBondContact O-CB 3.38Å; L318-E321 PolarHBondContact O-N 2.97Å |
| 322 | R | 87.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 51 Ų | 51 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 108.9 | 178.5 | -171.7 | -179.1 | -61.2 | 167.4 | 5 | 110.5 | F316 F317 Y324 | F316-R322 WeakPolarHBondContact O-CA 3.37Å; F317-R322 HydrophobicContact CD1-CB 4.12Å; F317-R322 HydrophobicContact CD1-CG 4.46Å; F317-R322 HydrophobicContact CE1-CB 3.98Å; F317-R322 HydrophobicContact CE1-CG 4.22Å; R322-Y324 WeakPolarHBondContact CD-OH 3.49Å; R322-Y324 HydrophobicContact CG-CE2 4.13Å |
| 323 | G | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 148.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | L257 F258 A315 F316 | L257-G323 WeakPolarHBondContact O-CA 3.28Å; F258-G323 VanDerWaalsContact CE1-CA 3.43Å; A315-G323 CarbonylContact C-O 3.53Å; A315-G323 WeakPolarHBondContact CA-O 3.48Å; F316-G323 WeakPolarHBondContact CD1-O 3.39Å; F316-G323 PolarHBondContact N-O 3.29Å; F316-G323 PolarHBondContact O-N 2.72Å |
| 324 | Y | 91.2 | Very high | 85.5 | Confident | 73 Ų | 73 | 50.3 Ų | 50.3 | 29% | 0.286 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.1 | 169.2 | -63.8 | -93.6 | 0 | 0 | 0 | 108.5 | I256 L257 A315 R322 | I256-Y324 CarbonylContact C-O 3.57Å; I256-Y324 VanDerWaalsContact CA-O 3.23Å; I256-Y324 WeakPolarHBondContact CA-O 3.43Å; I256-Y324 WeakPolarHBondContact CG2-O 3.27Å; L257-Y324 PolarHBondContact N-O 3.48Å; L257-Y324 PolarHBondContact O-N 3.49Å; A315-Y324 HydrophobicContact CB-CD1 3.85Å; A315-Y324 HydrophobicContact CB-CE1 4.1Å; R322-Y324 WeakPolarHBondContact CD-OH 3.49Å; R322-Y324 HydrophobicContact CG-CE2 4.13Å |
| 325 | S | 92.5 | Very high | 85.1 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.4 | -178 | 121 | 0 | 0 | 0 | 0 | 109.9 | F255 P313 G314 Q330 | F255-S325 WeakPolarHBondContact O-CA 3.3Å; P313-S325 PolarHBondContact O-OG 2.88Å; G314-S325 WeakPolarHBondContact CA-O 3.47Å; G314-S325 PolarHBondContact O-N 3.32Å; S325-Q330 PolarHBondContact O-NE2 2.91Å; S325-Q330 PolarHBondContact O-OE1 3.07Å; S325-Q330 PolarHBondContact OG-NE2 2.89Å |
| 326 | W | 91.8 | Very high | 84.5 | Confident | 98 Ų | 98 | 55 Ų | 55 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 144.8 | 176.6 | 69.9 | 103 | 0 | 0 | 0 | 113.9 | F255 L257 E295 | F255-W326 HydrophobicContact CB-CD2 3.74Å; F255-W326 HydrophobicContact CB-CE3 4.16Å; F255-W326 HydrophobicContact CB-CG 4.3Å; F255-W326 HydrophobicContact CB-CH2 3.88Å; F255-W326 HydrophobicContact CB-CZ2 3.45Å; F255-W326 VanDerWaalsContact CB-CZ2 3.45Å; F255-W326 HydrophobicContact CB-CZ3 4.21Å; F255-W326 HydrophobicContact CG-CZ2 4.17Å; F255-W326 AromaticContact CG-NE1 3.98Å; F255-W326 PolarHBondContact N-O 3.44Å; F255-W326 PolarHBondContact O-N 2.87Å; L257-W326 HydrophobicContact CB-CH2 3.74Å; L257-W326 HydrophobicContact CB-CZ3 3.54Å; E295-W326 HydrophobicContact CG-CH2 4.16Å; E295-W326 VanDerWaalsContact OE1-CH2 3.25Å; E295-W326 WeakPolarHBondContact OE1-CH2 3.36Å; E295-W326 VanDerWaalsContact OE1-CZ2 3.22Å; E295-W326 WeakPolarHBondContact OE1-CZ2 3.36Å |
| 327 | Y | 89.6 | Confident | 83.8 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | trans | -150.6 | 165.7 | 167.6 | 54.8 | -96.9 | 0 | 0 | 0 | 111.6 | K252 T253 L254 L302 H311 L312 G329 Q330 | K252-Y327 HydrophobicContact CB-CD2 4.21Å; K252-Y327 HydrophobicContact CB-CG 4Å; K252-Y327 HydrophobicContact CD-CD2 3.55Å; K252-Y327 HydrophobicContact CD-CE2 4.13Å; K252-Y327 HydrophobicContact CD-CG 4.2Å; K252-Y327 HydrophobicContact CG-CD2 3.58Å; K252-Y327 HydrophobicContact CG-CE2 4.02Å; K252-Y327 HydrophobicContact CG-CG 3.88Å; T253-Y327 WeakPolarHBondContact O-CB 3.16Å; L254-Y327 HydrophobicContact CD1-CD1 3.8Å; L302-Y327 HydrophobicContact CD1-CE2 3.78Å; L302-Y327 HydrophobicContact CD2-CE1 4.2Å; H311-Y327 WeakPolarHBondContact CA-OH 3.32Å; H311-Y327 VanDerWaalsContact CB-OH 3.26Å; H311-Y327 WeakPolarHBondContact CB-OH 3.48Å; H311-Y327 AromaticContact ND1-CE2 3.8Å; H311-Y327 AromaticContact ND1-CZ 3.75Å; H311-Y327 PolarHBondContact ND1-OH 3.5Å; L312-Y327 HydrophobicContact CB-CE1 4.3Å; L312-Y327 HydrophobicContact CD1-CE1 4.5Å; L312-Y327 PolarHBondContact N-OH 2.87Å; Y327-G329 PolarHBondContact O-N 3.36Å; Y327-G329 VanDerWaalsContact O-N 3.1Å; Y327-Q330 HydrophobicContact CD1-CB 4.3Å; Y327-Q330 HydrophobicContact CD1-CG 4.47Å; Y327-Q330 HydrophobicContact CD2-CB 3.82Å; Y327-Q330 HydrophobicContact CE1-CB 4.04Å; Y327-Q330 HydrophobicContact CE1-CG 3.85Å; Y327-Q330 HydrophobicContact CE2-CB 3.52Å; Y327-Q330 HydrophobicContact CE2-CG 4.06Å; Y327-Q330 HydrophobicContact CG-CB 4.19Å; Y327-Q330 VanDerWaalsContact N-OE1 3.15Å; Y327-Q330 WeakPolarHBondContact O-CB 3.41Å; Y327-Q330 PolarHBondContact O-N 3.32Å | ||
| 328 | K | 80.6 | Confident | 83.3 | Confident | 154 Ų | 154 | 54.5 Ų | 54.5 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 111.9 | -179.1 | -165.6 | 170.8 | -175 | 171.7 | 0 | 111.7 | K252 | K252-K328 PolarHBondContact NZ-O 3.18Š|
| 329 | G | 77.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 19.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y327 | Y327-G329 PolarHBondContact O-N 3.36Å; Y327-G329 VanDerWaalsContact O-N 3.1Å |
| 330 | Q | 85.6 | Confident | 82.6 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 15% | 0.15 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 127.2 | 166.7 | -168.7 | 163.1 | -5.5 | 0 | 0 | 109.9 | L312 S325 Y327 | L312-Q330 PolarHBondContact O-NE2 3.38Å; S325-Q330 PolarHBondContact O-NE2 2.91Å; S325-Q330 PolarHBondContact O-OE1 3.07Å; S325-Q330 PolarHBondContact OG-NE2 2.89Å; Y327-Q330 HydrophobicContact CD1-CB 4.3Å; Y327-Q330 HydrophobicContact CD1-CG 4.47Å; Y327-Q330 HydrophobicContact CD2-CB 3.82Å; Y327-Q330 HydrophobicContact CE1-CB 4.04Å; Y327-Q330 HydrophobicContact CE1-CG 3.85Å; Y327-Q330 HydrophobicContact CE2-CB 3.52Å; Y327-Q330 HydrophobicContact CE2-CG 4.06Å; Y327-Q330 HydrophobicContact CG-CB 4.19Å; Y327-Q330 VanDerWaalsContact N-OE1 3.15Å; Y327-Q330 WeakPolarHBondContact O-CB 3.41Å; Y327-Q330 PolarHBondContact O-N 3.32Å |
| 331 | P | 82.3 | Confident | 82.5 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 16% | 0.156 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 140 | 176.7 | 28.1 | -34 | 0 | 0 | 0 | 110.4 | H311 T333 R340 | H311-P331 HydrophobicContact CB-CG 3.97Å; H311-P331 WeakPolarHBondContact ND1-CD 3.22Å; P331-T333 HydrophobicContact CB-CG2 4.39Å; P331-T333 HydrophobicContact CG-CG2 4.22Å; P331-T333 PolarHBondContact O-N 2.92Å; P331-R340 HydrophobicContact CB-CG 4.36Å |
| 332 | K | 80.9 | Confident | 82.3 | Confident | 181 Ų | 181 | 64.7 Ų | 64.7 | 79% | 0.787 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 118.9 | 165.7 | -66.9 | -176.8 | 179.3 | 179.9 | 0 | 108.1 | M343 | K332-M343 HydrophobicContact CB-CE 3.96Š|
| 333 | T | 81.8 | Confident | 82 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | trans | -122.9 | 146.2 | -178.5 | 52.6 | 0 | 0 | 0 | 0 | 111 | P331 F335 G338 S339 R340 | P331-T333 HydrophobicContact CB-CG2 4.39Å; P331-T333 HydrophobicContact CG-CG2 4.22Å; P331-T333 PolarHBondContact O-N 2.92Å; T333-F335 PolarHBondContact O-N 2.81Å; T333-G338 WeakPolarHBondContact CB-O 3.47Å; T333-G338 VanDerWaalsContact CG2-O 3.31Å; T333-G338 WeakPolarHBondContact CG2-O 3.22Å; T333-S339 CarbonylContact C-O 3.59Å; T333-S339 VanDerWaalsContact CA-O 3.32Å; T333-S339 WeakPolarHBondContact CA-O 3.48Å; T333-R340 HydrophobicContact CG2-CG 3.93Å | ||
| 334 | C | 80.1 | Confident | 81.4 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | trans | -50.5 | 131.2 | 168.2 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | K336 G338 S339 H342 C347 | C334-K336 VanDerWaalsContact C-N 3.33Å; C334-K336 PolarHBondContact O-N 2.9Å; C334-K336 PolarHBondContact SG-N 3.48Å; C334-K336 VanDerWaalsContact SG-N 3.39Å; C334-G338 WeakPolarHBondContact O-CA 3.46Å; C334-G338 PolarHBondContact O-N 3.28Å; C334-S339 PolarHBondContact N-O 3.49Å; C334-H342 WeakPolarHBondContact CB-O 3.31Å; C334-C347 WeakPolarHBondContact SG-CB 3.49Å; C334-C347 PolarHBondContact SG-SG 3.45Å | ||
| 335 | F | 76.8 | Confident | 80.8 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 34% | 0.342 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28.9 | 179.7 | -177.9 | -121.1 | 0 | 0 | 0 | 113.4 | A315 F317 T333 S344 | A315-F335 HydrophobicContact CB-CD2 3.84Å; A315-F335 HydrophobicContact CB-CE2 3.66Å; A315-F335 WeakPolarHBondContact O-CE2 3.45Å; F317-F335 HydrophobicContact CD2-CZ 4.02Å; F317-F335 AromaticContact CE2-CE1 3.86Å; F317-F335 HydrophobicContact CE2-CE1 3.86Å; F317-F335 AromaticContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CE2-CZ 3.43Å; F317-F335 VanDerWaalsContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CZ-CE1 4.31Å; F317-F335 AromaticContact CZ-CZ 3.99Å; F317-F335 HydrophobicContact CZ-CZ 3.99Å; T333-F335 PolarHBondContact O-N 2.81Å; F335-S344 WeakPolarHBondContact CB-OG 3.2Å; F335-S344 PolarHBondContact N-OG 3.42Å; F335-S344 VanDerWaalsContact N-OG 3.09Å |
| 336 | K | 74.5 | Confident | 80.2 | Confident | 72 Ų | 72 | 71 Ų | 71 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -60.6 | 179.2 | -55.4 | -169.7 | -167.4 | 173.2 | 0 | 111.2 | C334 S344 C347 R351 | C334-K336 VanDerWaalsContact C-N 3.33Å; C334-K336 PolarHBondContact O-N 2.9Å; C334-K336 PolarHBondContact SG-N 3.48Å; C334-K336 VanDerWaalsContact SG-N 3.39Å; K336-S344 WeakPolarHBondContact CE-O 3.46Å; K336-C347 HydrophobicContact CD-CB 3.89Å; K336-C347 HydrophobicContact CG-CB 4.31Å; K336-C347 PolarHBondContact NZ-O 3.38Å; K336-R351 WeakPolarHBondContact O-CD 3.4Å; K336-R351 PolarHBondContact O-NH1 3.45Å; K336-R351 VanDerWaalsContact O-NH1 3.12Å |
| 337 | C | 74.1 | Confident | 79.8 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 13% | 0.128 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -16.3 | -169.7 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | S339 H342 Q349 | C337-S339 VanDerWaalsContact C-N 3.32Å; C337-S339 VanDerWaalsContact SG-CB 3.53Å; C337-S339 PolarHBondContact SG-N 3.4Å; C337-S339 VanDerWaalsContact SG-N 3.44Å; C337-H342 PolarHBondContact SG-NE2 3.1Å; C337-H342 VanDerWaalsContact SG-NE2 3.4Å; C337-Q349 HydrophobicContact CB-CB 4.24Å; C337-Q349 VanDerWaalsContact CB-OE1 3.25Å; C337-Q349 PolarHBondContact SG-OE1 2.85Å |
| 338 | G | 75.5 | Confident | 79.3 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 40% | 0.402 | 42% | 0.416 | S | S | . | . | trans | 82.4 | 1.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T333 C334 | T333-G338 WeakPolarHBondContact CB-O 3.47Å; T333-G338 VanDerWaalsContact CG2-O 3.31Å; T333-G338 WeakPolarHBondContact CG2-O 3.22Å; C334-G338 WeakPolarHBondContact O-CA 3.46Å; C334-G338 PolarHBondContact O-N 3.28Å | ||
| 339 | S | 76.1 | Confident | 79.2 | Confident | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | trans | -59.7 | 145.9 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | T333 C334 C337 T341 | T333-S339 CarbonylContact C-O 3.59Å; T333-S339 VanDerWaalsContact CA-O 3.32Å; T333-S339 WeakPolarHBondContact CA-O 3.48Å; C334-S339 PolarHBondContact N-O 3.49Å; C337-S339 VanDerWaalsContact C-N 3.32Å; C337-S339 VanDerWaalsContact SG-CB 3.53Å; C337-S339 PolarHBondContact SG-N 3.4Å; C337-S339 VanDerWaalsContact SG-N 3.44Å; S339-T341 PolarHBondContact OG-N 2.91Å; S339-T341 VanDerWaalsContact OG-N 3.12Å; S339-T341 PolarHBondContact OG-OG1 3.05Å | ||
| 340 | R | 77.2 | Confident | 79 | Confident | 187 Ų | 187 | 68.9 Ų | 68.9 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -88.7 | -9.2 | 173.3 | -66.4 | 172.5 | 63.1 | -178.8 | -1.3 | 113.4 | P331 T333 | P331-R340 HydrophobicContact CB-CG 4.36Å; T333-R340 HydrophobicContact CG2-CG 3.93Å |
| 341 | T | 79.2 | Confident | 78.7 | Confident | 124 Ų | 124 | 71.9 Ų | 71.9 | 76% | 0.761 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -87.6 | -17.2 | -172.1 | 62 | 0 | 0 | 0 | 0 | 114.6 | S339 | S339-T341 PolarHBondContact OG-N 2.91Å; S339-T341 VanDerWaalsContact OG-N 3.12Å; S339-T341 PolarHBondContact OG-OG1 3.05Å |
| 342 | H | 81.8 | Confident | 78.6 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -153.8 | 168.7 | -174.5 | 63.6 | -94.9 | 0 | 0 | 0 | 111.1 | C334 C337 C347 | C334-H342 WeakPolarHBondContact CB-O 3.31Å; C337-H342 PolarHBondContact SG-NE2 3.1Å; C337-H342 VanDerWaalsContact SG-NE2 3.4Å; H342-C347 WeakPolarHBondContact NE2-CB 3.46Å; H342-C347 PolarHBondContact NE2-SG 3.06Å |
| 343 | M | 82.8 | Confident | 78.3 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | trans | -108.5 | 165.7 | 179.4 | -69.7 | -66.6 | 121.5 | 0 | 0 | 111.1 | K332 G345 S346 C347 | K332-M343 HydrophobicContact CB-CE 3.96Å; M343-G345 PolarHBondContact O-N 3.49Å; M343-S346 CarbonylContact O-C 3.55Å; M343-S346 PolarHBondContact O-N 2.8Å; M343-S346 PolarHBondContact O-OG 3.45Å; M343-C347 PolarHBondContact O-N 3.38Å | ||
| 344 | S | 78.1 | Confident | 78.1 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29 | -171.7 | -43.2 | 0 | 0 | 0 | 0 | 115.2 | F335 K336 | F335-S344 WeakPolarHBondContact CB-OG 3.2Å; F335-S344 PolarHBondContact N-OG 3.42Å; F335-S344 VanDerWaalsContact N-OG 3.09Å; K336-S344 WeakPolarHBondContact CE-O 3.46Å |
| 345 | G | 77.6 | Confident | 78 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 90% | 0.897 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -27 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M343 | M343-G345 PolarHBondContact O-N 3.49Š|
| 346 | S | 80.5 | Confident | 77.9 | Confident | 78 Ų | 78 | 69.5 Ų | 69.5 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -101.5 | 13 | 173.4 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | M343 T348 | M343-S346 CarbonylContact O-C 3.55Å; M343-S346 PolarHBondContact O-N 2.8Å; M343-S346 PolarHBondContact O-OG 3.45Å; S346-T348 PolarHBondContact O-N 3.26Å |
| 347 | C | 82.4 | Confident | 78.1 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | trans | -85.5 | 111.4 | 180 | -172.9 | 0 | 0 | 0 | 0 | 112 | C334 K336 H342 M343 | C334-C347 WeakPolarHBondContact SG-CB 3.49Å; C334-C347 PolarHBondContact SG-SG 3.45Å; K336-C347 HydrophobicContact CD-CB 3.89Å; K336-C347 HydrophobicContact CG-CB 4.31Å; K336-C347 PolarHBondContact NZ-O 3.38Å; H342-C347 WeakPolarHBondContact NE2-CB 3.46Å; H342-C347 PolarHBondContact NE2-SG 3.06Å; M343-C347 PolarHBondContact O-N 3.38Å | ||
| 348 | T | 80.1 | Confident | 78.3 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 82% | 0.822 | 40% | 0.4 | S | S | * | . | trans | -84.6 | -7.7 | 175.2 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | S346 D350 | S346-T348 PolarHBondContact O-N 3.26Å; T348-D350 PolarHBondContact O-N 2.82Å | ||
| 349 | Q | 77.3 | Confident | 78.4 | Confident | 64 Ų | 64 | 73.5 Ų | 73.5 | 30% | 0.299 | 42% | 0.419 | S | S | . | . | trans | -79 | 111.3 | 178.6 | -74 | 168.5 | -67.5 | 0 | 0 | 111.2 | C337 R351 E358 | C337-Q349 HydrophobicContact CB-CB 4.24Å; C337-Q349 VanDerWaalsContact CB-OE1 3.25Å; C337-Q349 PolarHBondContact SG-OE1 2.85Å; Q349-R351 PolarHBondContact O-N 3.04Å; Q349-E358 PolarHBondContact NE2-OE1 2.95Å; Q349-E358 PolarHBondContact NE2-OE2 2.82Å | ||
| 350 | D | 75 | Confident | 78.7 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | trans | -76.7 | 113.4 | 167.6 | -81.6 | -18.3 | 0 | 0 | 0 | 110.3 | T348 E358 G359 L361 | T348-D350 PolarHBondContact O-N 2.82Å; D350-E358 CarbonylContact O-C 3.53Å; D350-E358 WeakPolarHBondContact O-CA 3.23Å; D350-G359 PolarHBondContact O-N 2.9Å; D350-L361 HydrophobicContact CB-CD2 3.9Å; D350-L361 HydrophobicContact CB-CG 4.2Å | ||
| 351 | R | 78.1 | Confident | 78.9 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -113.8 | 132.6 | 177.9 | -166 | -177.8 | -171.5 | 166.1 | 10.5 | 110.6 | K336 Q349 F353 G356 E357 E358 H360 | K336-R351 WeakPolarHBondContact O-CD 3.4Å; K336-R351 PolarHBondContact O-NH1 3.45Å; K336-R351 VanDerWaalsContact O-NH1 3.12Å; Q349-R351 PolarHBondContact O-N 3.04Å; R351-F353 PolarHBondContact O-N 2.95Å; R351-G356 PolarHBondContact NE-O 2.86Å; R351-G356 PolarHBondContact NH2-O 2.78Å; R351-G356 VanDerWaalsContact NH2-O 3.1Å; R351-E357 WeakPolarHBondContact CA-O 3.4Å; R351-E357 WeakPolarHBondContact CG-O 3.23Å; R351-E358 HydrophobicContact CB-CG 4.38Å; R351-E358 HydrophobicContact CG-CG 4.12Å; R351-H360 CarbonylContact C-O 3.6Å |
| 352 | C | 80.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | trans | -81.2 | 116.9 | -176.9 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | R354 C355 G356 E357 H360 C365 | C352-R354 PolarHBondContact O-N 3.29Å; C352-R354 PolarHBondContact SG-N 2.86Å; C352-C355 VanDerWaalsContact CB-SG 3.56Å; C352-C355 PolarHBondContact O-N 3.5Å; C352-C355 PolarHBondContact SG-N 3.04Å; C352-G356 WeakPolarHBondContact O-CA 3.33Å; C352-G356 PolarHBondContact O-N 2.91Å; C352-E357 PolarHBondContact N-O 3.21Å; C352-H360 WeakPolarHBondContact CA-O 3.46Å; C352-H360 WeakPolarHBondContact CB-NE2 3.32Å; C352-H360 WeakPolarHBondContact CB-O 3.46Å; C352-H360 PolarHBondContact N-O 3.41Å; C352-C365 WeakPolarHBondContact SG-CB 3.19Å; C352-C365 VanDerWaalsContact SG-SG 3.66Å | ||
| 353 | F | 74.4 | Confident | 78.8 | Confident | 132 Ų | 132 | 66.8 Ų | 66.8 | 58% | 0.579 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.1 | 174.6 | -59 | -83.9 | 0 | 0 | 0 | 113.8 | F317 R351 S362 | F317-F353 HydrophobicContact CE2-CE1 4.45Å; R351-F353 PolarHBondContact O-N 2.95Å; F353-S362 WeakPolarHBondContact CB-OG 3.48Å; F353-S362 PolarHBondContact N-OG 3.27Å |
| 354 | R | 77.4 | Confident | 78.7 | Confident | 97 Ų | 97 | 71 Ų | 71 | 37% | 0.366 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -42.1 | 171.6 | -74 | -159.7 | -76.9 | 156.1 | -5.7 | 114.1 | C352 S362 P363 C365 I369 V370 | C352-R354 PolarHBondContact O-N 3.29Å; C352-R354 PolarHBondContact SG-N 2.86Å; R354-S362 VanDerWaalsContact CZ-O 3.26Å; R354-S362 PolarHBondContact NE-O 2.95Å; R354-S362 PolarHBondContact NH2-O 3.2Å; R354-P363 PolarHBondContact NH2-O 3.38Å; R354-P363 VanDerWaalsContact NH2-O 3.1Å; R354-C365 HydrophobicContact CB-CB 4.29Å; R354-C365 PolarHBondContact NH2-O 2.92Å; R354-I369 CarbonylContact O-C 3.55Å; R354-I369 VanDerWaalsContact O-CA 3.28Å; R354-I369 WeakPolarHBondContact O-CA 3.46Å; R354-V370 PolarHBondContact O-N 2.9Å |
| 355 | C | 78.1 | Confident | 78.8 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.034 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -8.1 | -172.8 | 69.5 | 0 | 0 | 0 | 0 | 115.1 | C352 E357 H360 K367 V370 | C352-C355 VanDerWaalsContact CB-SG 3.56Å; C352-C355 PolarHBondContact O-N 3.5Å; C352-C355 PolarHBondContact SG-N 3.04Å; C355-E357 VanDerWaalsContact C-N 3.27Å; C355-E357 PolarHBondContact O-N 3Å; C355-H360 PolarHBondContact SG-CE1 3.25Å; C355-H360 PolarHBondContact SG-NE2 3.04Å; C355-H360 VanDerWaalsContact SG-NE2 3.37Å; C355-K367 HydrophobicContact CB-CB 4.04Å; C355-V370 WeakPolarHBondContact O-CG2 3.45Å |
| 356 | G | 74.9 | Confident | 79 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 78.6 | 1.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R351 C352 | R351-G356 PolarHBondContact NE-O 2.86Å; R351-G356 PolarHBondContact NH2-O 2.78Å; R351-G356 VanDerWaalsContact NH2-O 3.1Å; C352-G356 WeakPolarHBondContact O-CA 3.33Å; C352-G356 PolarHBondContact O-N 2.91Å |
| 357 | E | 78 | Confident | 78.9 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 23% | 0.234 | 39% | 0.393 | C | S | . | . | trans | -98.4 | 162.1 | -175.6 | -57.2 | 169.2 | -154.8 | 0 | 0 | 111.9 | R351 C352 C355 K367 R377 | R351-E357 WeakPolarHBondContact CA-O 3.4Å; R351-E357 WeakPolarHBondContact CG-O 3.23Å; C352-E357 PolarHBondContact N-O 3.21Å; C355-E357 VanDerWaalsContact C-N 3.27Å; C355-E357 PolarHBondContact O-N 3Å; E357-K367 WeakPolarHBondContact OE1-CD 3.17Å; E357-K367 IonicContact OE1-NZ 3.8Å; E357-K367 VanDerWaalsContact OE2-CD 3.23Å; E357-K367 WeakPolarHBondContact OE2-CD 3.22Å; E357-K367 WeakPolarHBondContact OE2-CE 3.25Å; E357-K367 IonicContact OE2-NZ 2.72Å; E357-K367 PolarHBondContact OE2-NZ 2.85Å; E357-R377 IonicContact OE1-CZ 2.79Å; E357-R377 IonicContact OE1-NH1 2.69Å; E357-R377 PolarHBondContact OE1-NH1 3.23Å; E357-R377 VanDerWaalsContact OE1-NH1 3.08Å; E357-R377 IonicContact OE1-NH2 3.37Å; E357-R377 PolarHBondContact OE1-NH2 3.1Å | ||
| 358 | E | 78.3 | Confident | 78.7 | Confident | 88 Ų | 88 | 80 Ų | 80 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -94.5 | 173.9 | -178.3 | -62.6 | -174.4 | -177.6 | 0 | 0 | 112.6 | Q349 D350 R351 H360 | Q349-E358 PolarHBondContact NE2-OE1 2.95Å; Q349-E358 PolarHBondContact NE2-OE2 2.82Å; D350-E358 CarbonylContact O-C 3.53Å; D350-E358 WeakPolarHBondContact O-CA 3.23Å; R351-E358 HydrophobicContact CB-CG 4.38Å; R351-E358 HydrophobicContact CG-CG 4.12Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 3.29Å; E358-H360 PolarHBondContact O-ND1 3.04Å |
| 359 | G | 78.8 | Confident | 78.8 | Confident | 76 Ų | 76 | 76.6 Ų | 76.6 | 78% | 0.784 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 81.8 | 4.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D350 | D350-G359 PolarHBondContact O-N 2.9Š|
| 360 | H | 82.8 | Confident | 79.1 | Confident | 45 Ų | 45 | 74.9 Ų | 74.9 | 21% | 0.208 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -159.4 | 153.8 | 173.5 | 65.4 | -71.3 | 0 | 0 | 0 | 112.9 | R351 C352 C355 E358 | R351-H360 CarbonylContact C-O 3.6Å; C352-H360 WeakPolarHBondContact CA-O 3.46Å; C352-H360 WeakPolarHBondContact CB-NE2 3.32Å; C352-H360 WeakPolarHBondContact CB-O 3.46Å; C352-H360 PolarHBondContact N-O 3.41Å; C355-H360 PolarHBondContact SG-CE1 3.25Å; C355-H360 PolarHBondContact SG-NE2 3.04Å; C355-H360 VanDerWaalsContact SG-NE2 3.37Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 3.29Å; E358-H360 PolarHBondContact O-ND1 3.04Å |
| 361 | L | 80.2 | Confident | 79.6 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | trans | -88.2 | 158.8 | 174.8 | -66.3 | 173.6 | 0 | 0 | 0 | 112.4 | D350 P363 Y364 C365 | D350-L361 HydrophobicContact CB-CD2 3.9Å; D350-L361 HydrophobicContact CB-CG 4.2Å; L361-P363 VanDerWaalsContact C-CD 3.42Å; L361-Y364 HydrophobicContact CB-CD2 4.25Å; L361-Y364 PolarHBondContact O-N 2.97Å; L361-C365 PolarHBondContact O-N 3.25Å | ||
| 362 | S | 79.5 | Confident | 79.9 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -49.5 | -40.1 | -179.3 | -61.2 | 0 | 0 | 0 | 0 | 115.9 | F353 R354 Y364 C365 | F353-S362 WeakPolarHBondContact CB-OG 3.48Å; F353-S362 PolarHBondContact N-OG 3.27Å; R354-S362 VanDerWaalsContact CZ-O 3.26Å; R354-S362 PolarHBondContact NE-O 2.95Å; R354-S362 PolarHBondContact NH2-O 3.2Å; S362-Y364 VanDerWaalsContact C-N 3.34Å; S362-Y364 PolarHBondContact O-N 3.45Å; S362-C365 WeakPolarHBondContact O-CB 3.09Å; S362-C365 PolarHBondContact O-N 3.07Å |
| 363 | P | 79.6 | Confident | 80.1 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -61 | -41.9 | 177.4 | -24.8 | 36.3 | 0 | 0 | 0 | 112.6 | R354 L361 C365 | R354-P363 PolarHBondContact NH2-O 3.38Å; R354-P363 VanDerWaalsContact NH2-O 3.1Å; L361-P363 VanDerWaalsContact C-CD 3.42Å; P363-C365 VanDerWaalsContact C-N 3.31Å; P363-C365 PolarHBondContact O-N 3.47Å |
| 364 | Y | 80.1 | Confident | 80.5 | Confident | 179 Ų | 179 | 64.6 Ų | 64.6 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -85.1 | 0.6 | -174.4 | -52.8 | -65.6 | 0 | 0 | 0 | 114.2 | L361 S362 R366 | L361-Y364 HydrophobicContact CB-CD2 4.25Å; L361-Y364 PolarHBondContact O-N 2.97Å; S362-Y364 VanDerWaalsContact C-N 3.34Å; S362-Y364 PolarHBondContact O-N 3.45Å; Y364-R366 PolarHBondContact O-N 3.2Å |
| 365 | C | 81.9 | Confident | 80.7 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 5% | 0.054 | 34% | 0.34 | C | S | . | . | trans | -65.2 | 118.2 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | C352 R354 L361 S362 P363 K367 | C352-C365 WeakPolarHBondContact SG-CB 3.19Å; C352-C365 VanDerWaalsContact SG-SG 3.66Å; R354-C365 HydrophobicContact CB-CB 4.29Å; R354-C365 PolarHBondContact NH2-O 2.92Å; L361-C365 PolarHBondContact O-N 3.25Å; S362-C365 WeakPolarHBondContact O-CB 3.09Å; S362-C365 PolarHBondContact O-N 3.07Å; P363-C365 VanDerWaalsContact C-N 3.31Å; P363-C365 PolarHBondContact O-N 3.47Å; C365-K367 PolarHBondContact SG-N 3.48Å; C365-K367 VanDerWaalsContact SG-N 3.44Å; C365-K367 PolarHBondContact SG-O 3.13Å | ||
| 366 | R | 80.4 | Confident | 80.9 | Confident | 251 Ų | 251 | 67.8 Ų | 67.8 | 95% | 0.947 | 37% | 0.368 | S | S | * | . | trans | -93.7 | -4 | 171.6 | -58.6 | -175.4 | -175.1 | -178.8 | 1.2 | 113.5 | Y364 | Y364-R366 PolarHBondContact O-N 3.2Š| ||
| 367 | K | 78.8 | Confident | 81.4 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 46% | 0.457 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -91.2 | 148.7 | 178.9 | -66.6 | -175.1 | 176.9 | -176.3 | 0 | 111.2 | C355 E357 C365 | C355-K367 HydrophobicContact CB-CB 4.04Å; E357-K367 WeakPolarHBondContact OE1-CD 3.17Å; E357-K367 IonicContact OE1-NZ 3.8Å; E357-K367 VanDerWaalsContact OE2-CD 3.23Å; E357-K367 WeakPolarHBondContact OE2-CD 3.22Å; E357-K367 WeakPolarHBondContact OE2-CE 3.25Å; E357-K367 IonicContact OE2-NZ 2.72Å; E357-K367 PolarHBondContact OE2-NZ 2.85Å; C365-K367 PolarHBondContact SG-N 3.48Å; C365-K367 VanDerWaalsContact SG-N 3.44Å; C365-K367 PolarHBondContact SG-O 3.13Å |
| 368 | G | 77.5 | Confident | 81.6 | Confident | 46 Ų | 46 | 73.5 Ų | 73.5 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 143.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 369 | I | 82.7 | Confident | 81.8 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 139 | -178.2 | -174 | 165.7 | 0 | 0 | 0 | 111.6 | R354 R377 G378 A380 | R354-I369 CarbonylContact O-C 3.55Å; R354-I369 VanDerWaalsContact O-CA 3.28Å; R354-I369 WeakPolarHBondContact O-CA 3.46Å; I369-R377 CarbonylContact O-C 3.58Å; I369-R377 VanDerWaalsContact O-CA 3.27Å; I369-R377 WeakPolarHBondContact O-CA 3.43Å; I369-G378 PolarHBondContact O-N 3.2Å; I369-A380 HydrophobicContact CD1-CB 4.01Å |
| 370 | V | 84.2 | Confident | 82.1 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 131.1 | 172.3 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | R354 C355 N372 K376 R377 | R354-V370 PolarHBondContact O-N 2.9Å; C355-V370 WeakPolarHBondContact O-CG2 3.45Å; V370-N372 PolarHBondContact O-N 3.28Å; V370-K376 WeakPolarHBondContact CA-O 3.32Å; V370-R377 HydrophobicContact CG2-CG 3.69Å |
| 371 | C | 85.4 | Confident | 82 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 121.7 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L373 C374 G375 K376 H379 C384 | C371-L373 PolarHBondContact O-N 3.46Å; C371-C374 PolarHBondContact SG-N 3.39Å; C371-G375 VanDerWaalsContact O-CA 3.3Å; C371-G375 WeakPolarHBondContact O-CA 3.42Å; C371-G375 PolarHBondContact O-N 3.47Å; C371-K376 PolarHBondContact N-O 3.46Å; C371-H379 WeakPolarHBondContact CB-NE2 3.48Å; C371-H379 PolarHBondContact N-O 3.29Å; C371-C384 VanDerWaalsContact SG-CB 3.6Å; C371-C384 PolarHBondContact SG-SG 3.37Å |
| 372 | N | 84.3 | Confident | 82.1 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.3 | 179.1 | -73.7 | -18 | 0 | 0 | 0 | 113.6 | R274 V370 | R274-N372 PolarHBondContact NH1-O 3.12Å; V370-N372 PolarHBondContact O-N 3.28Å |
| 373 | L | 84.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -63.6 | 175.2 | 174.4 | 64.3 | 0 | 0 | 0 | 112.5 | D267 T270 W271 R274 L318 C371 F381 C384 K386 A387 | D267-L373 HydrophobicContact CB-CD1 3.93Å; D267-L373 WeakPolarHBondContact O-CD1 3.26Å; D267-L373 WeakPolarHBondContact OD2-CD2 3.32Å; T270-L373 HydrophobicContact CG2-CD1 3.72Å; T270-L373 HydrophobicContact CG2-CD2 4.43Å; T270-L373 HydrophobicContact CG2-CG 3.86Å; W271-L373 HydrophobicContact CB-CD1 4.42Å; R274-L373 WeakPolarHBondContact CD-O 3.48Å; R274-L373 VanDerWaalsContact NH1-C 3.31Å; R274-L373 PolarHBondContact NH1-O 3.08Å; L318-L373 HydrophobicContact CD1-CB 4.28Å; L318-L373 HydrophobicContact CD1-CD1 3.73Å; C371-L373 PolarHBondContact O-N 3.46Å; L373-F381 HydrophobicContact CB-CD2 3.65Å; L373-F381 HydrophobicContact CB-CE2 3.86Å; L373-F381 HydrophobicContact CD2-CD2 4.45Å; L373-F381 HydrophobicContact CD2-CE2 4.07Å; L373-F381 HydrophobicContact CG-CE2 4.42Å; L373-C384 HydrophobicContact CD2-CB 4.46Å; L373-K386 HydrophobicContact CD2-CB 4.49Å; L373-K386 WeakPolarHBondContact CD2-O 3.35Å; L373-A387 VanDerWaalsContact CD2-CA 3.46Å; L373-A387 HydrophobicContact CD2-CB 3.64Å |
| 374 | C | 82.9 | Confident | 82.3 | Confident | 24 Ų | 24 | 68.8 Ų | 68.8 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -11.1 | -168.7 | 79.6 | 0 | 0 | 0 | 0 | 115 | C371 K376 H379 C384 K386 | C371-C374 PolarHBondContact SG-N 3.39Å; C374-K376 VanDerWaalsContact C-N 3.25Å; C374-K376 PolarHBondContact O-N 3.02Å; C374-H379 PolarHBondContact SG-NE2 3Å; C374-C384 VanDerWaalsContact SG-SG 3.68Å; C374-K386 HydrophobicContact CB-CB 4.4Å; C374-K386 HydrophobicContact CB-CD 4.26Å |
| 375 | G | 81.4 | Confident | 82.4 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | trans | 75.4 | -2.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | C371 | C371-G375 VanDerWaalsContact O-CA 3.3Å; C371-G375 WeakPolarHBondContact O-CA 3.42Å; C371-G375 PolarHBondContact O-N 3.47Å | ||
| 376 | K | 83.3 | Confident | 82.4 | Confident | 139 Ų | 139 | 70 Ų | 70 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | trans | -72.4 | 149.8 | 174 | -66.9 | -171.8 | 173.7 | -171 | 0 | 111.2 | V370 C371 C374 | V370-K376 WeakPolarHBondContact CA-O 3.32Å; C371-K376 PolarHBondContact N-O 3.46Å; C374-K376 VanDerWaalsContact C-N 3.25Å; C374-K376 PolarHBondContact O-N 3.02Å | ||
| 377 | R | 84.4 | Confident | 82.4 | Confident | 140 Ų | 140 | 58 Ų | 58 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -79.7 | 154 | 168.4 | -68.8 | -180 | -167.8 | -99.5 | 11 | 110.5 | E357 I369 V370 | E357-R377 IonicContact OE1-CZ 2.79Å; E357-R377 IonicContact OE1-NH1 2.69Å; E357-R377 PolarHBondContact OE1-NH1 3.23Å; E357-R377 VanDerWaalsContact OE1-NH1 3.08Å; E357-R377 IonicContact OE1-NH2 3.37Å; E357-R377 PolarHBondContact OE1-NH2 3.1Å; I369-R377 CarbonylContact O-C 3.58Å; I369-R377 VanDerWaalsContact O-CA 3.27Å; I369-R377 WeakPolarHBondContact O-CA 3.43Å; V370-R377 HydrophobicContact CG2-CG 3.69Å |
| 378 | G | 82.8 | Confident | 82.5 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 109.2 | -11.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I369 | I369-G378 PolarHBondContact O-N 3.2Š|
| 379 | H | 83.5 | Confident | 82.5 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | trans | -146.6 | 152.8 | -179.2 | 59 | -94.7 | 0 | 0 | 0 | 113 | C371 C374 Q383 C384 | C371-H379 WeakPolarHBondContact CB-NE2 3.48Å; C371-H379 PolarHBondContact N-O 3.29Å; C374-H379 PolarHBondContact SG-NE2 3Å; H379-Q383 HydrophobicContact CB-CB 4.08Å; H379-C384 VanDerWaalsContact CD2-CA 3.48Å; H379-C384 WeakPolarHBondContact CD2-CA 3.39Å | ||
| 380 | A | 84.4 | Confident | 82.1 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | trans | -79.1 | 167.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I369 A382 Q383 C384 | I369-A380 HydrophobicContact CD1-CB 4.01Å; A380-A382 VanDerWaalsContact C-N 3.27Å; A380-A382 PolarHBondContact O-N 3.42Å; A380-Q383 CarbonylContact O-C 3.49Å; A380-Q383 PolarHBondContact O-N 3.32Å; A380-C384 PolarHBondContact O-N 3.49Å | ||
| 381 | F | 81.4 | Confident | 81.2 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 19% | 0.193 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -51.2 | -45.8 | 173.4 | 175.7 | -87.9 | 0 | 0 | 0 | 112.7 | D267 L318 G319 L373 Q383 C384 A387 H389 | D267-F381 WeakPolarHBondContact OD2-CE2 3.42Å; D267-F381 WeakPolarHBondContact OD2-CZ 3.45Å; L318-F381 HydrophobicContact CD1-CE2 4.25Å; L318-F381 HydrophobicContact CG-CE2 4.2Å; G319-F381 VanDerWaalsContact CA-CD1 3.41Å; L373-F381 HydrophobicContact CB-CD2 3.65Å; L373-F381 HydrophobicContact CB-CE2 3.86Å; L373-F381 HydrophobicContact CD2-CD2 4.45Å; L373-F381 HydrophobicContact CD2-CE2 4.07Å; L373-F381 HydrophobicContact CG-CE2 4.42Å; F381-Q383 PolarHBondContact O-N 3.35Å; F381-C384 WeakPolarHBondContact O-CB 3.49Å; F381-C384 PolarHBondContact O-N 2.84Å; F381-A387 HydrophobicContact CZ-CB 4.36Å; F381-H389 AromaticContact CE1-CE1 3.82Å |
| 382 | A | 80.9 | Confident | 79.8 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -57.6 | -22.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A380 H389 N390 | A380-A382 VanDerWaalsContact C-N 3.27Å; A380-A382 PolarHBondContact O-N 3.42Å; A382-H389 PolarHBondContact O-NE2 2.89Å; A382-N390 PolarHBondContact O-ND2 3.32Å; A382-N390 PolarHBondContact O-OD1 3.44Å |
| 383 | Q | 80.6 | Confident | 78.3 | Confident | 135 Ų | 135 | 59.3 Ų | 59.3 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -112.2 | 15.9 | 179.6 | -66.2 | 169.6 | -34.6 | 0 | 0 | 112.3 | H379 A380 F381 P385 | H379-Q383 HydrophobicContact CB-CB 4.08Å; A380-Q383 CarbonylContact O-C 3.49Å; A380-Q383 PolarHBondContact O-N 3.32Å; F381-Q383 PolarHBondContact O-N 3.35Å; Q383-P385 WeakPolarHBondContact O-CD 3.3Å |
| 384 | C | 83.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -78.1 | 121.3 | -179.9 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | C371 L373 C374 H379 A380 F381 K386 A387 N390 | C371-C384 VanDerWaalsContact SG-CB 3.6Å; C371-C384 PolarHBondContact SG-SG 3.37Å; L373-C384 HydrophobicContact CD2-CB 4.46Å; C374-C384 VanDerWaalsContact SG-SG 3.68Å; H379-C384 VanDerWaalsContact CD2-CA 3.48Å; H379-C384 WeakPolarHBondContact CD2-CA 3.39Å; A380-C384 PolarHBondContact O-N 3.49Å; F381-C384 WeakPolarHBondContact O-CB 3.49Å; F381-C384 PolarHBondContact O-N 2.84Å; C384-K386 PolarHBondContact O-N 3.12Å; C384-K386 VanDerWaalsContact O-N 3.07Å; C384-A387 HydrophobicContact CB-CB 4.04Å; C384-A387 PolarHBondContact O-N 3.08Å; C384-N390 PolarHBondContact N-ND2 2.95Å; C384-N390 VanDerWaalsContact O-CB 3.26Å; C384-N390 WeakPolarHBondContact O-CB 3.23Å; C384-N390 PolarHBondContact O-ND2 2.84Å | ||
| 385 | P | 82.4 | Confident | 75 | Confident | 85 Ų | 85 | 67.3 Ų | 67.3 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 2.4 | 177.3 | 32.1 | -37.3 | 0 | 0 | 0 | 113.5 | Q383 | Q383-P385 WeakPolarHBondContact O-CD 3.3Š|
| 386 | K | 81.3 | Confident | 73.5 | Confident | 127 Ų | 127 | 72.2 Ų | 72.2 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -0 | 170.7 | -69.9 | -159.3 | 171.1 | -159.2 | 0 | 113.6 | T270 L373 C374 C384 | T270-K386 HydrophobicContact CG2-CB 4.29Å; T270-K386 HydrophobicContact CG2-CD 4.22Å; L373-K386 HydrophobicContact CD2-CB 4.49Å; L373-K386 WeakPolarHBondContact CD2-O 3.35Å; C374-K386 HydrophobicContact CB-CB 4.4Å; C374-K386 HydrophobicContact CB-CD 4.26Å; C384-K386 PolarHBondContact O-N 3.12Å; C384-K386 VanDerWaalsContact O-N 3.07Å |
| 387 | A | 80.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -83 | 138 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | D267 L373 F381 C384 H389 N390 S391 | D267-A387 VanDerWaalsContact OD1-CA 3.32Å; D267-A387 WeakPolarHBondContact OD1-CA 3.33Å; L373-A387 VanDerWaalsContact CD2-CA 3.46Å; L373-A387 HydrophobicContact CD2-CB 3.64Å; F381-A387 HydrophobicContact CZ-CB 4.36Å; C384-A387 HydrophobicContact CB-CB 4.04Å; C384-A387 PolarHBondContact O-N 3.08Å; A387-H389 VanDerWaalsContact C-N 3.25Å; A387-H389 VanDerWaalsContact CB-CE1 3.42Å; A387-H389 WeakPolarHBondContact CB-CE1 3.48Å; A387-H389 PolarHBondContact O-N 3.47Å; A387-N390 PolarHBondContact O-N 2.85Å; A387-S391 PolarHBondContact O-N 3.38Å; A387-S391 PolarHBondContact O-OG 3.03Å |
| 388 | V | 80.8 | Confident | 70 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -52.6 | -42.3 | -175 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | D264 E266 D267 N390 S391 | D264-V388 HydrophobicContact CB-CB 4.18Å; D264-V388 HydrophobicContact CB-CG2 3.67Å; E266-V388 HydrophobicContact CB-CG2 3.71Å; E266-V388 HydrophobicContact CG-CG2 4.25Å; D267-V388 PolarHBondContact OD1-N 2.92Å; V388-N390 PolarHBondContact O-N 3.1Å; V388-N390 VanDerWaalsContact O-N 3.1Å; V388-S391 WeakPolarHBondContact CA-OG 3.4Å; V388-S391 PolarHBondContact O-N 3.23Å; V388-S391 PolarHBondContact O-OG 2.84Å; V388-S391 VanDerWaalsContact O-OG 3.13Å |
| 389 | H | 76.7 | Confident | 68.2 | Low | 96 Ų | 96 | 70.7 Ų | 70.7 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.4 | -13.9 | 179.9 | 73.5 | -86.8 | 0 | 0 | 0 | 114.5 | F381 A382 A387 | F381-H389 AromaticContact CE1-CE1 3.82Å; A382-H389 PolarHBondContact O-NE2 2.89Å; A387-H389 VanDerWaalsContact C-N 3.25Å; A387-H389 VanDerWaalsContact CB-CE1 3.42Å; A387-H389 WeakPolarHBondContact CB-CE1 3.48Å; A387-H389 PolarHBondContact O-N 3.47Å |
| 390 | N | 75.3 | Confident | 66.1 | Low | 38 Ų | 38 | 74 Ų | 74 | 20% | 0.203 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -111.6 | -29.3 | 178.6 | -75.9 | -29.7 | 0 | 0 | 0 | 113.7 | A382 C384 A387 V388 V392 A393 A394 | A382-N390 PolarHBondContact O-ND2 3.32Å; A382-N390 PolarHBondContact O-OD1 3.44Å; C384-N390 PolarHBondContact N-ND2 2.95Å; C384-N390 VanDerWaalsContact O-CB 3.26Å; C384-N390 WeakPolarHBondContact O-CB 3.23Å; C384-N390 PolarHBondContact O-ND2 2.84Å; A387-N390 PolarHBondContact O-N 2.85Å; V388-N390 PolarHBondContact O-N 3.1Å; V388-N390 VanDerWaalsContact O-N 3.1Å; N390-V392 VanDerWaalsContact C-N 3.33Å; N390-V392 PolarHBondContact O-N 3.45Å; N390-A393 PolarHBondContact O-N 3.37Å; N390-A394 PolarHBondContact O-N 2.79Å; N390-A394 VanDerWaalsContact O-N 3.07Å |
| 391 | S | 65 | Low | 64.2 | Low | 31 Ų | 31 | 75.5 Ų | 75.5 | 22% | 0.217 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | -177.6 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | A387 V388 A393 A394 Q395 | A387-S391 PolarHBondContact O-N 3.38Å; A387-S391 PolarHBondContact O-OG 3.03Å; V388-S391 WeakPolarHBondContact CA-OG 3.4Å; V388-S391 PolarHBondContact O-N 3.23Å; V388-S391 PolarHBondContact O-OG 2.84Å; V388-S391 VanDerWaalsContact O-OG 3.13Å; S391-A393 PolarHBondContact O-N 3.38Å; S391-A394 PolarHBondContact O-N 3.14Å; S391-Q395 WeakPolarHBondContact O-CG 3.37Å; S391-Q395 PolarHBondContact O-N 3.38Å |
| 392 | V | 57 | Low | 62.1 | Low | 83 Ų | 83 | 86 Ų | 86 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | N390 A394 Q395 L396 | N390-V392 VanDerWaalsContact C-N 3.33Å; N390-V392 PolarHBondContact O-N 3.45Å; V392-A394 PolarHBondContact O-N 3.11Å; V392-Q395 PolarHBondContact O-N 3.01Å; V392-L396 PolarHBondContact O-N 3.21Å |
| 393 | A | 51.4 | Low | 61.1 | Low | 54 Ų | 54 | 87.1 Ų | 87.1 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N390 S391 Q395 L396 | N390-A393 PolarHBondContact O-N 3.37Å; S391-A393 PolarHBondContact O-N 3.38Å; A393-Q395 VanDerWaalsContact C-N 3.32Å; A393-Q395 PolarHBondContact O-N 3.41Å; A393-L396 PolarHBondContact O-N 2.93Å |
| 394 | A | 49.8 | Very low | 60.1 | Low | 54 Ų | 54 | 84.5 Ų | 84.5 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -30.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N390 S391 V392 T397 | N390-A394 PolarHBondContact O-N 2.79Å; N390-A394 VanDerWaalsContact O-N 3.07Å; S391-A394 PolarHBondContact O-N 3.14Å; V392-A394 PolarHBondContact O-N 3.11Å; A394-T397 PolarHBondContact O-OG1 3.48Å |
| 395 | Q | 48.8 | Very low | 58.8 | Low | 139 Ų | 139 | 89.2 Ų | 89.2 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.1 | -37.2 | 177.5 | -71.9 | 173.6 | -63.6 | 0 | 0 | 112.3 | S391 V392 A393 T397 G398 | S391-Q395 WeakPolarHBondContact O-CG 3.37Å; S391-Q395 PolarHBondContact O-N 3.38Å; V392-Q395 PolarHBondContact O-N 3.01Å; A393-Q395 VanDerWaalsContact C-N 3.32Å; A393-Q395 PolarHBondContact O-N 3.41Å; Q395-T397 VanDerWaalsContact C-N 3.3Å; Q395-T397 PolarHBondContact O-N 3.35Å; Q395-G398 PolarHBondContact O-N 3.47Å; Q395-G398 VanDerWaalsContact O-N 3.12Å |
| 396 | L | 49.3 | Very low | 57.4 | Low | 133 Ų | 133 | 89.5 Ų | 89.5 | 70% | 0.696 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -31.1 | 177.6 | -67.8 | 173 | 0 | 0 | 0 | 113 | V392 A393 G398 | V392-L396 PolarHBondContact O-N 3.21Å; A393-L396 PolarHBondContact O-N 2.93Å; L396-G398 PolarHBondContact O-N 3.16Å |
| 397 | T | 49.7 | Very low | 55.9 | Low | 116 Ų | 116 | 87.1 Ų | 87.1 | 71% | 0.712 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.4 | 174.4 | 46 | 0 | 0 | 0 | 0 | 114.5 | A394 Q395 | A394-T397 PolarHBondContact O-OG1 3.48Å; Q395-T397 VanDerWaalsContact C-N 3.3Å; Q395-T397 PolarHBondContact O-N 3.35Å |
| 398 | G | 44.6 | Very low | 54.3 | Low | 67 Ų | 67 | 92.9 Ų | 92.9 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q395 L396 | Q395-G398 PolarHBondContact O-N 3.47Å; Q395-G398 VanDerWaalsContact O-N 3.12Å; L396-G398 PolarHBondContact O-N 3.16Å |
| 399 | V | 46.3 | Very low | 52.4 | Low | 126 Ų | 126 | 97.4 Ų | 97.4 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -105.5 | -14.4 | -172 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | G401 | V399-G401 VanDerWaalsContact C-N 3.33Å; V399-G401 PolarHBondContact O-N 3.47Å |
| 400 | A | 38.8 | Very low | 50.5 | Low | 100 Ų | 100 | 97.5 Ų | 97.5 | 83% | 0.826 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -92.2 | 46.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 401 | G | 44.5 | Very low | 48.5 | Very low | 63 Ų | 63 | 102.5 Ų | 102.5 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | trans | -169.3 | 66.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V399 | V399-G401 VanDerWaalsContact C-N 3.33Å; V399-G401 PolarHBondContact O-N 3.47Å | ||
| 402 | H | 36.7 | Very low | 47 | Very low | 264 Ų | 264 | 109 Ų | 109 | 100% | 1.222 | 69% | 0.691 | S | S | * | * | trans | -149.5 | 0 | 165.3 | -110.5 | -60.1 | 0 | 0 | 0 | 111 |
Retrieved 402 of 402 residues in 601 ms
(Link to these results)