| 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 | 56.8 | Low | 63.7 | Low | 225 Ų | 225 | 108.2 Ų | 108.2 | 100% | 1.108 | 64% | 0.636 | S | S | * | * | 0 | -25.3 | 0 | -104.1 | 172.8 | -163.4 | 0 | 0 | 115.1 | A3 | M1-A3 PolarHBondContact O-N 3.1Š| |||
| 2 | A | 52.5 | Low | 64.5 | Low | 85 Ų | 85 | 109.8 Ų | 109.8 | 70% | 0.702 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.1 | -27.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A4 I5 | A2-A4 VanDerWaalsContact C-N 3.33Å; A2-A4 PolarHBondContact O-N 2.72Å; A2-I5 PolarHBondContact O-N 2.76Å |
| 3 | A | 56.7 | Low | 65.2 | Low | 80 Ų | 80 | 114.5 Ų | 114.5 | 66% | 0.661 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.2 | -24.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1 S7 | M1-A3 PolarHBondContact O-N 3.1Å; A3-S7 PolarHBondContact O-OG 2.76Å; A3-S7 VanDerWaalsContact O-OG 3.11Å |
| 4 | A | 61.1 | Low | 66 | Low | 74 Ų | 74 | 120.1 Ų | 120.1 | 61% | 0.612 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.9 | -31.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2 S7 | A2-A4 VanDerWaalsContact C-N 3.33Å; A2-A4 PolarHBondContact O-N 2.72Å; A4-S7 PolarHBondContact O-N 2.81Å |
| 5 | I | 60.2 | Low | 66.6 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 59% | 0.585 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.1 | -38.2 | -176.7 | -56.9 | 177.2 | 0 | 0 | 0 | 111 | A2 S7 S8 | A2-I5 PolarHBondContact O-N 2.76Å; I5-S7 VanDerWaalsContact C-N 3.25Å; I5-S7 PolarHBondContact O-N 3.07Å; I5-S8 PolarHBondContact O-N 2.8Å; I5-S8 PolarHBondContact O-OG 2.84Å |
| 6 | A | 60.7 | Low | 66.4 | Low | 57 Ų | 57 | 116.3 Ų | 116.3 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.6 | -29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I10 | A6-I10 WeakPolarHBondContact O-CG1 3.49Å |
| 7 | S | 66.6 | Low | 66.4 | Low | 77 Ų | 77 | 121.5 Ų | 121.5 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74.6 | -31.6 | -178 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | A3 A4 I5 | A3-S7 PolarHBondContact O-OG 2.76Å; A3-S7 VanDerWaalsContact O-OG 3.11Å; A4-S7 PolarHBondContact O-N 2.81Å; I5-S7 VanDerWaalsContact C-N 3.25Å; I5-S7 PolarHBondContact O-N 3.07Å |
| 8 | S | 70.6 | Confident | 66.3 | Low | 64 Ų | 64 | 122.6 Ų | 122.6 | 45% | 0.448 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.2 | -37.2 | 179.6 | 82.6 | 0 | 0 | 0 | 0 | 112.4 | I5 I10 R11 Q12 | I5-S8 PolarHBondContact O-N 2.8Å; I5-S8 PolarHBondContact O-OG 2.84Å; S8-I10 VanDerWaalsContact C-N 3.35Å; S8-I10 PolarHBondContact O-N 3.06Å; S8-R11 PolarHBondContact O-N 2.88Å; S8-Q12 PolarHBondContact O-N 3.44Å; S8-Q12 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 68.3 | Low | 66 | Low | 105 Ų | 105 | 125.8 Ų | 125.8 | 55% | 0.55 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.3 | -35.2 | 178.7 | -85.3 | 160.7 | 0 | 0 | 0 | 112.9 | K13 | L9-K13 PolarHBondContact O-N 2.7Å |
| 10 | I | 71.3 | Confident | 65.7 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.8 | -35.4 | 177.6 | -63.9 | 168.1 | 0 | 0 | 0 | 111.3 | A6 S8 R14 | A6-I10 WeakPolarHBondContact O-CG1 3.49Å; S8-I10 VanDerWaalsContact C-N 3.35Å; S8-I10 PolarHBondContact O-N 3.06Å; I10-R14 PolarHBondContact O-N 3.22Å |
| 11 | R | 76.1 | Confident | 65.2 | Low | 192 Ų | 192 | 128.9 Ų | 128.9 | 73% | 0.725 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.5 | -43.4 | 175.6 | -93.5 | -174.6 | 179.1 | -139.5 | 0.7 | 112.2 | S8 K13 R14 Q15 | S8-R11 PolarHBondContact O-N 2.88Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.18Å; R11-R14 PolarHBondContact O-N 3.39Å; R11-Q15 PolarHBondContact O-N 3.38Å; R11-Q15 VanDerWaalsContact O-N 3.12Å |
| 12 | Q | 73.6 | Confident | 65.2 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 59% | 0.593 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.6 | -40.4 | 177.7 | -76.9 | -176.2 | -18 | 0 | 0 | 112 | S8 R14 Q15 A16 | S8-Q12 PolarHBondContact O-N 3.44Å; S8-Q12 VanDerWaalsContact O-N 3.12Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.43Å; Q12-Q15 PolarHBondContact O-N 3.05Å; Q12-A16 PolarHBondContact O-N 3.28Å; Q12-A16 VanDerWaalsContact O-N 3.13Å |
| 13 | K | 73.4 | Confident | 65.2 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.2 | -27.1 | 179.5 | -151 | 170.6 | -174.3 | 174 | 0 | 113.4 | L9 R11 | L9-K13 PolarHBondContact O-N 2.7Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.18Å |
| 14 | R | 76.2 | Confident | 64.7 | Low | 194 Ų | 194 | 123.9 Ų | 123.9 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.7 | -40.6 | 170.6 | -93 | -176.1 | 173.5 | -175.7 | -2.9 | 112.5 | I10 R11 Q12 A16 R17 E18 | I10-R14 PolarHBondContact O-N 3.22Å; R11-R14 PolarHBondContact O-N 3.39Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.43Å; R14-A16 PolarHBondContact O-N 2.87Å; R14-R17 PolarHBondContact O-N 3.27Å; R14-E18 PolarHBondContact O-N 2.94Å |
| 15 | Q | 74.2 | Confident | 63.9 | Low | 121 Ų | 121 | 125.7 Ų | 125.7 | 57% | 0.565 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.5 | -33.9 | 179.8 | -73.7 | -178.9 | -12.3 | 0 | 0 | 113.2 | R11 Q12 R17 R19 | R11-Q15 PolarHBondContact O-N 3.38Å; R11-Q15 VanDerWaalsContact O-N 3.12Å; Q12-Q15 PolarHBondContact O-N 3.05Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 2.82Å; Q15-R19 PolarHBondContact O-N 3.48Å |
| 16 | A | 64.4 | Low | 63 | Low | 58 Ų | 58 | 128.6 Ų | 128.6 | 48% | 0.479 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.2 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q12 R14 R19 E20 | Q12-A16 PolarHBondContact O-N 3.28Å; Q12-A16 VanDerWaalsContact O-N 3.13Å; R14-A16 PolarHBondContact O-N 2.87Å; A16-R19 PolarHBondContact O-N 3.44Å; A16-E20 PolarHBondContact O-N 3.05Å |
| 17 | R | 66.2 | Low | 61.8 | Low | 205 Ų | 205 | 131.6 Ų | 131.6 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.8 | -27.1 | -177.8 | -141.1 | 175.9 | -170.3 | -120.9 | 2.1 | 113.5 | R14 Q15 | R14-R17 PolarHBondContact O-N 3.27Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 2.82Å |
| 18 | E | 65.1 | Low | 60.4 | Low | 141 Ų | 141 | 134.8 Ų | 134.8 | 66% | 0.659 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.3 | -35.5 | 172.7 | -74.4 | -86.7 | 126.2 | 0 | 0 | 111.6 | R14 K21 S22 | R14-E18 PolarHBondContact O-N 2.94Å; E18-K21 PolarHBondContact O-N 3.26Å; E18-S22 PolarHBondContact O-N 3.32Å |
| 19 | R | 60 | Low | 58.9 | Low | 184 Ų | 184 | 137.5 Ų | 137.5 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.8 | -31 | 178.5 | -71.7 | -177.6 | 179.7 | -164.6 | 0 | 114 | Q15 A16 K21 S22 | Q15-R19 PolarHBondContact O-N 3.48Å; A16-R19 PolarHBondContact O-N 3.44Å; R19-K21 VanDerWaalsContact C-N 3.33Å; R19-S22 PolarHBondContact O-OG 3.18Å |
| 20 | E | 59 | Low | 57.6 | Low | 151 Ų | 151 | 137.9 Ų | 137.9 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.8 | -30.1 | 173.6 | -74 | -169.2 | 144.1 | 0 | 0 | 112.2 | A16 | A16-E20 PolarHBondContact O-N 3.05Å |
| 21 | K | 56.6 | Low | 56.5 | Low | 165 Ų | 165 | 137.9 Ų | 137.9 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -76.7 | -26.9 | -178.8 | -150.7 | 174.5 | -178.5 | -172.3 | 0 | 112.8 | E18 R19 | E18-K21 PolarHBondContact O-N 3.26Å; R19-K21 VanDerWaalsContact C-N 3.33Å |
| 22 | S | 55.5 | Low | 54.9 | Low | 75 Ų | 75 | 133.8 Ų | 133.8 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -77.1 | -20.6 | 174.9 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | E18 R19 | E18-S22 PolarHBondContact O-N 3.32Å; R19-S22 PolarHBondContact O-OG 3.18Å |
| 23 | N | 52.9 | Low | 53.5 | Low | 124 Ų | 124 | 138.1 Ų | 138.1 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -91.3 | -12.6 | -178.8 | -75.7 | -14.7 | 0 | 0 | 0 | 114 | C25 | N23-C25 VanDerWaalsContact C-N 3.31Å; N23-C25 PolarHBondContact O-N 3.23Å |
| 24 | A | 47.4 | Very low | 52.1 | Low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -2.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 25 | C | 43.4 | Very low | 50.3 | Low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 16.2 | -171 | -69.6 | 0 | 0 | 0 | 0 | 115.9 | N23 | N23-C25 VanDerWaalsContact C-N 3.31Å; N23-C25 PolarHBondContact O-N 3.23Å |
| 26 | K | 42.3 | Very low | 48.9 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | -103.8 | 13.1 | -170.3 | -83.4 | -171.1 | 177.7 | 178.7 | 0 | 118.1 | ||||
| 27 | C | 34.8 | Very low | 47.7 | Very low | 120 Ų | 120 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -130.4 | 57.6 | -171.5 | -57.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 28 | V | 37.1 | Very low | 46.5 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -153.8 | 103.6 | 162.4 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 29 | S | 39.2 | Very low | 45.4 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -172.4 | 132.8 | 153.4 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 30 | S | 39.8 | Very low | 44.9 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -65.9 | -157.7 | -170.7 | -36.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 31 | P | 50.1 | Low | 44 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | cis | -144.4 | 174.6 | -10.6 | 33.6 | -9.3 | 0 | 0 | 0 | 118 | ||||
| 32 | S | 41 | Very low | 43.9 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 6.3 | 139.4 | 156.1 | 65.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 33 | K | 44.7 | Very low | 43.9 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | 174.5 | 143.3 | 128.3 | -100.2 | 172.9 | -177.4 | -179.7 | 0 | 113.3 | |||||
| 34 | G | 44 | Very low | 43.4 | Very low | 85 Ų | 85 | 138 Ų | 138 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 144.6 | 98.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 35 | K | 38.2 | Very low | 43.8 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | trans | -97.6 | 138.5 | 170.4 | -98.7 | -179.7 | 173 | 176.5 | 0 | 110 | ||||
| 36 | T | 44.9 | Very low | 44.1 | Very low | 142 Ų | 142 | 143 Ų | 143 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -171.2 | 107 | 152.5 | 22.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 37 | S | 38.5 | Very low | 44.5 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 60.5 | 109.4 | 94.3 | -166.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 38 | C | 41.5 | Very low | 45.4 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | 165.6 | 112.8 | 121.5 | -89 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 39 | D | 42.3 | Very low | 46.3 | Very low | 137 Ų | 137 | 143 Ų | 143 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | 54.5 | 131.3 | 129.9 | -86.9 | -35.3 | 0 | 0 | 0 | 125.2 | |||||
| 40 | K | 49 | Very low | 47 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 91.1 | 107.5 | 141.8 | -69.8 | 166.3 | -172.1 | 174.1 | 0 | 119.7 | ||||
| 41 | N | 40.7 | Very low | 47.8 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | 50.1 | 110.9 | 129.7 | -70.6 | -6.6 | 0 | 0 | 0 | 118.1 | |||||
| 42 | K | 55 | Low | 47.9 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | 173.3 | 124.8 | 107 | -93.2 | 167.5 | -177.1 | -175.9 | 0 | 111.2 | |||||
| 43 | L | 56.1 | Low | 48.2 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 66.1 | 106.2 | 139.4 | -58.9 | 168.5 | 0 | 0 | 0 | 118.3 | V45 | L43-V45 PolarHBondContact O-N 3.46Š| ||
| 44 | N | 41.9 | Very low | 48.7 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -43.6 | 111.9 | 153.9 | -92.2 | -22.4 | 0 | 0 | 0 | 111.5 | F46 | N44-F46 HydrophobicContact CB-CD2 4.2Å; N44-F46 HydrophobicContact CB-CE2 3.98Å | ||
| 45 | V | 54.8 | Low | 49.4 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -119.6 | 99 | 152.2 | 176.4 | 0 | 0 | 0 | 0 | 106.4 | L43 S47 | L43-V45 PolarHBondContact O-N 3.46Å; V45-S47 VanDerWaalsContact C-N 3.25Å; V45-S47 PolarHBondContact O-N 3.41Å | ||
| 46 | F | 49.7 | Very low | 50.2 | Low | 176 Ų | 176 | 147.5 Ų | 147.5 | 77% | 0.772 | 77% | 0.769 | S | S | * | * | trans | -65.3 | 85.2 | 170.2 | -73.6 | -88.3 | 0 | 0 | 0 | 109.1 | N44 R48 | N44-F46 HydrophobicContact CB-CD2 4.2Å; N44-F46 HydrophobicContact CB-CE2 3.98Å; F46-R48 VanDerWaalsContact C-N 3.32Å; F46-R48 PolarHBondContact O-N 3.49Å | ||
| 47 | S | 52.3 | Low | 50.7 | Low | 97 Ų | 97 | 151.7 Ų | 151.7 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -77.1 | 92.7 | 163.4 | 50.7 | 0 | 0 | 0 | 0 | 108.2 | V45 V49 | V45-S47 VanDerWaalsContact C-N 3.25Å; V45-S47 PolarHBondContact O-N 3.41Å; S47-V49 PolarHBondContact O-N 2.76Å | ||
| 48 | R | 52.2 | Low | 51.6 | Low | 234 Ų | 234 | 157.9 Ų | 157.9 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -64.3 | 74 | 173 | -155.6 | 178 | -167.3 | 174.1 | 4.3 | 109.3 | F46 K50 | F46-R48 VanDerWaalsContact C-N 3.32Å; F46-R48 PolarHBondContact O-N 3.49Å; R48-K50 PolarHBondContact O-N 2.95Å; R48-K50 VanDerWaalsContact O-N 3.07Å | ||
| 49 | V | 55.8 | Low | 52.6 | Low | 110 Ų | 110 | 164 Ų | 164 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | trans | -72.3 | 102.3 | 170.1 | -175.2 | 0 | 0 | 0 | 0 | 106.7 | S47 L51 | S47-V49 PolarHBondContact O-N 2.76Å; V49-L51 PolarHBondContact O-N 2.78Å | ||
| 50 | K | 55.3 | Low | 53.7 | Low | 167 Ų | 167 | 168.8 Ų | 168.8 | 73% | 0.726 | 79% | 0.791 | S | S | * | * | trans | -59.6 | 91.7 | 161.3 | -79.1 | -178.7 | 178.1 | 172.7 | 0 | 106.8 | R48 F52 | R48-K50 PolarHBondContact O-N 2.95Å; R48-K50 VanDerWaalsContact O-N 3.07Å; K50-F52 HydrophobicContact CB-CD2 4.41Å; K50-F52 HydrophobicContact CB-CE2 4.37Å; K50-F52 PolarHBondContact O-N 2.83Å | ||
| 51 | L | 54.7 | Low | 54.6 | Low | 157 Ų | 157 | 171.6 Ų | 171.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -59.8 | 96.3 | 155.6 | -103.1 | 99.8 | 0 | 0 | 0 | 105.3 | V49 G53 | V49-L51 PolarHBondContact O-N 2.78Å; L51-G53 PolarHBondContact O-N 2.91Å | ||
| 52 | F | 52.7 | Low | 56.1 | Low | 178 Ų | 178 | 170.4 Ų | 170.4 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -57.5 | 91.6 | 154.5 | -81 | -88.9 | 0 | 0 | 0 | 105.7 | K50 S54 | K50-F52 HydrophobicContact CB-CD2 4.41Å; K50-F52 HydrophobicContact CB-CE2 4.37Å; K50-F52 PolarHBondContact O-N 2.83Å; F52-S54 PolarHBondContact O-N 2.77Å | ||
| 53 | G | 47.5 | Very low | 56.9 | Low | 63 Ų | 63 | 166.9 Ų | 166.9 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -59.7 | 86.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | L51 K55 | L51-G53 PolarHBondContact O-N 2.91Å; G53-K55 PolarHBondContact O-N 2.81Å | ||
| 54 | S | 56.4 | Low | 57.7 | Low | 105 Ų | 105 | 163.4 Ų | 163.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -56.5 | 95.9 | 162.9 | -72 | 0 | 0 | 0 | 0 | 104.9 | F52 K56 | F52-S54 PolarHBondContact O-N 2.77Å; S54-K56 PolarHBondContact O-N 2.7Å | ||
| 55 | K | 57.4 | Low | 59.7 | Low | 197 Ų | 197 | 163.1 Ų | 163.1 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -53.4 | 91.8 | 160.2 | -79.3 | -179.5 | 176 | 173.1 | 0 | 104.3 | G53 R57 | G53-K55 PolarHBondContact O-N 2.81Å; K55-R57 PolarHBondContact O-N 2.69Å | ||
| 56 | K | 55.4 | Low | 61.4 | Low | 193 Ų | 193 | 158.9 Ų | 158.9 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -56.6 | 92.7 | 164.5 | -88.8 | -176.5 | 176 | 175.4 | 0 | 103.6 | S54 R58 | S54-K56 PolarHBondContact O-N 2.7Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 2.76Å | ||
| 57 | R | 55.6 | Low | 63.5 | Low | 231 Ų | 231 | 157.5 Ų | 157.5 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -51.5 | 106 | 164.8 | -71.5 | -179.9 | 103.9 | 159.2 | 3.8 | 102.8 | K55 R59 | K55-R57 PolarHBondContact O-N 2.69Å; R57-R59 VanDerWaalsContact C-N 3.28Å; R57-R59 PolarHBondContact O-N 3.37Å | ||
| 58 | R | 57.6 | Low | 65.5 | Low | 237 Ų | 237 | 153.1 Ų | 153.1 | 89% | 0.894 | 70% | 0.701 | S | S | * | * | trans | -52.5 | 104.1 | 171.6 | -84.2 | -174.8 | 159.9 | -172.4 | -4.3 | 104.3 | K56 R60 | K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 2.76Å; R58-R60 PolarHBondContact O-N 3.31Å | ||
| 59 | R | 62.6 | Low | 67.6 | Low | 240 Ų | 240 | 144.1 Ų | 144.1 | 91% | 0.906 | 67% | 0.67 | S | S | * | * | trans | -53.7 | 112 | 171.5 | -80 | -171.9 | 173.1 | 178.6 | -1.8 | 104.3 | R57 R61 | R57-R59 VanDerWaalsContact C-N 3.28Å; R57-R59 PolarHBondContact O-N 3.37Å; R59-R61 PolarHBondContact O-N 3.15Å | ||
| 60 | R | 65.3 | Low | 69.7 | Low | 238 Ų | 238 | 139.4 Ų | 139.4 | 90% | 0.898 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 116.7 | 175.3 | -77.1 | -173.7 | 169.1 | 175.3 | -3.7 | 105.2 | R58 | R58-R60 PolarHBondContact O-N 3.31Š|
| 61 | R | 67.1 | Low | 71.7 | Confident | 231 Ų | 231 | 131.4 Ų | 131.4 | 87% | 0.872 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 132.9 | 173.5 | -73.7 | -175 | 175.1 | 178.1 | -2.2 | 106.3 | R59 E63 | R59-R61 PolarHBondContact O-N 3.15Å; R61-E63 PolarHBondContact O-N 3.22Å |
| 62 | P | 72.7 | Confident | 73.7 | Confident | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 134.4 | 173 | -23.2 | 32.3 | 0 | 0 | 0 | 108.7 | ||
| 63 | E | 71.4 | Confident | 75.9 | Confident | 115 Ų | 115 | 117.9 Ų | 117.9 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 142.1 | 174.2 | -68.8 | -168.3 | 151.3 | 0 | 0 | 109.1 | R61 Q65 K205 | R61-E63 PolarHBondContact O-N 3.22Å; E63-Q65 PolarHBondContact O-N 2.93Å; E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.12Å; E63-K205 VanDerWaalsContact OE2-CD 3.32Å; E63-K205 WeakPolarHBondContact OE2-CD 3.21Å; E63-K205 WeakPolarHBondContact OE2-CE 3.37Å; E63-K205 IonicContact OE2-NZ 2.78Å; E63-K205 PolarHBondContact OE2-NZ 3.25Å |
| 64 | P | 73.5 | Confident | 78.3 | Confident | 84 Ų | 84 | 118.5 Ų | 118.5 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 124.2 | 175.4 | -22.3 | 32.3 | 0 | 0 | 0 | 110.3 | ||
| 65 | Q | 83.2 | Confident | 80.3 | Confident | 130 Ų | 130 | 113.5 Ų | 113.5 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.8 | 174.8 | -58.4 | -176.8 | -0.1 | 0 | 0 | 109.5 | E63 M203 Y204 | E63-Q65 PolarHBondContact O-N 2.93Å; Q65-M203 HydrophobicContact CB-CE 3.64Å; Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.13Å |
| 66 | L | 90.7 | Very high | 82.2 | Confident | 34 Ų | 34 | 109.3 Ų | 109.3 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.9 | 175.9 | -59.9 | 172.6 | 0 | 0 | 0 | 109.2 | G68 I105 P106 M203 Y204 E206 | L66-G68 PolarHBondContact O-N 2.87Å; L66-I105 HydrophobicContact CB-CG2 4.38Å; L66-I105 HydrophobicContact CD1-CG2 3.79Å; L66-P106 HydrophobicContact CB-CG 4.41Å; L66-P106 WeakPolarHBondContact CD1-O 3.24Å; L66-M203 WeakPolarHBondContact O-CA 3.32Å; L66-Y204 PolarHBondContact N-O 3.28Å; L66-Y204 PolarHBondContact O-N 3.29Å; L66-E206 HydrophobicContact CD1-CB 3.96Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.3Å |
| 67 | K | 93.4 | Very high | 84.2 | Confident | 148 Ų | 148 | 102.2 Ų | 102.2 | 64% | 0.643 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 98.1 | 175.4 | -173.1 | 179.1 | -177.1 | -179 | 0 | 109.5 | P106 V201 M203 | K67-P106 WeakPolarHBondContact O-CG 3.47Å; K67-V201 HydrophobicContact CD-CG1 4.27Å; K67-V201 VanDerWaalsContact CE-CG1 3.48Å; K67-V201 HydrophobicContact CG-CG1 3.75Å; K67-M203 HydrophobicContact CB-CE 4.43Å; K67-M203 HydrophobicContact CB-SD 3.83Å; K67-M203 HydrophobicContact CG-SD 3.95Å |
| 68 | G | 95.2 | Very high | 86.2 | Confident | 4 Ų | 4 | 92.5 Ų | 92.5 | 4% | 0.041 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -167.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L66 L104 A202 | L66-G68 PolarHBondContact O-N 2.87Å; G68-L104 VanDerWaalsContact CA-O 3.28Å; G68-L104 WeakPolarHBondContact CA-O 3.35Å; G68-A202 CarbonylContact C-O 3.57Å; G68-A202 PolarHBondContact N-O 3.41Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å |
| 69 | I | 97.2 | Very high | 88.2 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.6 | 176.9 | 60.3 | 173.4 | 0 | 0 | 0 | 110.9 | T71 L104 P198 K200 V201 Y204 | I69-T71 HydrophobicContact CD1-CG2 4.2Å; I69-T71 HydrophobicContact CG1-CG2 4.35Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.33Å; I69-L104 HydrophobicContact CG1-CB 3.71Å; I69-L104 HydrophobicContact CG1-CD2 4.49Å; I69-L104 PolarHBondContact N-O 3.43Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 3.19Å; I69-P198 HydrophobicContact CD1-CB 4.24Å; I69-P198 HydrophobicContact CD1-CG 4.19Å; I69-K200 CarbonylContact C-O 3.57Å; I69-K200 WeakPolarHBondContact CA-O 3.38Å; I69-V201 HydrophobicContact CG2-CG2 4.27Å; I69-Y204 PolarHBondContact O-OH 3.4Å |
| 70 | V | 98.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 71.5 Ų | 71.5 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.2 | 159.8 | -179 | 0 | 0 | 0 | 0 | 106.4 | L101 F102 V117 L199 K200 A202 Y204 | V70-L101 HydrophobicContact CG1-CD2 4.45Å; V70-F102 CarbonylContact C-O 3.59Å; V70-F102 WeakPolarHBondContact CA-O 3.47Å; V70-V117 HydrophobicContact CG1-CG2 4.14Å; V70-L199 HydrophobicContact CG1-CD2 4.43Å; V70-L199 WeakPolarHBondContact O-CB 3.05Å; V70-L199 PolarHBondContact O-N 3.43Å; V70-K200 HydrophobicContact CB-CG 3.99Å; V70-K200 HydrophobicContact CG2-CG 4.06Å; V70-K200 PolarHBondContact N-O 2.69Å; V70-K200 PolarHBondContact O-N 2.84Å; V70-A202 HydrophobicContact CG2-CB 4.33Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.39Å |
| 71 | T | 98.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154.9 | -173.8 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | I69 L73 F102 L104 K197 | I69-T71 HydrophobicContact CD1-CG2 4.2Å; I69-T71 HydrophobicContact CG1-CG2 4.35Å; T71-L73 HydrophobicContact CG2-CD2 4.17Å; T71-F102 PolarHBondContact N-O 3.01Å; T71-F102 PolarHBondContact O-N 3.38Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.36Å; T71-L104 HydrophobicContact CG2-CD2 4.44Å; T71-K197 WeakPolarHBondContact CA-O 3.37Å; T71-K197 PolarHBondContact OG1-N 3.45Å; T71-K197 PolarHBondContact OG1-O 3.4Å |
| 72 | K | 98 | Very high | 92.9 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 151.8 | 157.3 | -60.9 | -178.1 | 179.8 | 174 | 0 | 108.8 | E95 T100 L101 P196 K197 | K72-E95 PolarHBondContact NZ-O 2.88Å; K72-T100 WeakPolarHBondContact CE-OG1 3.44Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; K72-P196 WeakPolarHBondContact O-CA 3.38Å; K72-K197 HydrophobicContact CB-CB 4.33Å; K72-K197 PolarHBondContact N-O 3.06Å; K72-K197 PolarHBondContact O-N 3.43Å |
| 73 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 101.6 | 175.2 | -66.4 | 177.6 | 0 | 0 | 0 | 108.8 | T71 L81 I114 Y155 F194 P196 | T71-L73 HydrophobicContact CG2-CD2 4.17Å; L73-L81 HydrophobicContact CB-CB 4.06Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.17Å; L73-I114 HydrophobicContact CD1-CD1 4.44Å; L73-I114 HydrophobicContact CD1-CG2 4.26Å; L73-Y155 HydrophobicContact CD1-CE2 4.23Å; L73-Y155 HydrophobicContact CD2-CE2 4.05Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.25Å; L73-F194 HydrophobicContact CB-CD1 4.2Å; L73-P196 HydrophobicContact CD2-CB 4.21Å; L73-P196 HydrophobicContact CD2-CG 4.19Å |
| 74 | Y | 98.1 | Very high | 95.4 | Very high | 76 Ų | 76 | 41.8 Ų | 41.8 | 30% | 0.298 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116.1 | 179.5 | -178.6 | -108.4 | 0 | 0 | 0 | 110.1 | H80 F194 L195 | Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.49Å; Y74-H80 WeakPolarHBondContact CD2-NE2 3.27Å; Y74-F194 CarbonylContact O-C 3.59Å; Y74-F194 WeakPolarHBondContact O-CA 3.37Å; Y74-L195 HydrophobicContact CD1-CB 4.48Å; Y74-L195 PolarHBondContact N-O 3.49Å; Y74-L195 PolarHBondContact O-N 3.09Å |
| 75 | S | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 140.8 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | Q77 G78 Y79 | S75-Q77 PolarHBondContact O-N 3.42Å; S75-Q77 WeakPolarHBondContact OG-CB 3.41Å; S75-Q77 WeakPolarHBondContact OG-CG 3.23Å; S75-Q77 PolarHBondContact OG-N 2.87Å; S75-G78 PolarHBondContact O-N 2.84Å; S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.36Å; S75-Y79 PolarHBondContact N-O 3.34Å |
| 76 | R | 97.5 | Very high | 97.2 | Very high | 109 Ų | 109 | 40.3 Ų | 40.3 | 41% | 0.411 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.3 | 171.3 | -176.1 | 176.9 | 173.7 | 176.9 | 6.1 | 112.5 | G78 Y152 P190 H193 | R76-G78 PolarHBondContact O-N 2.92Å; R76-Y152 HydrophobicContact CB-CE1 3.97Å; R76-Y152 HydrophobicContact CG-CE1 3.97Å; R76-P190 HydrophobicContact CG-CB 4.18Å; R76-H193 HydrophobicContact CB-CB 3.77Å; R76-H193 PolarHBondContact N-O 2.8Å; R76-H193 PolarHBondContact NH1-CE1 3.27Å; R76-H193 PolarHBondContact NH1-ND1 2.89Å |
| 77 | Q | 97.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7.1 | 176.6 | -57.3 | -66.3 | 96.4 | 0 | 0 | 113.9 | S75 Y79 N174 | S75-Q77 PolarHBondContact O-N 3.42Å; S75-Q77 WeakPolarHBondContact OG-CB 3.41Å; S75-Q77 WeakPolarHBondContact OG-CG 3.23Å; S75-Q77 PolarHBondContact OG-N 2.87Å; Q77-Y79 HydrophobicContact CB-CD2 4.12Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.37Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.4Å; Q77-N174 WeakPolarHBondContact CB-O 3.44Å; Q77-N174 VanDerWaalsContact CG-O 3.28Å; Q77-N174 WeakPolarHBondContact CG-O 2.96Å; Q77-N174 PolarHBondContact NE2-O 3.06Å |
| 78 | G | 97.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 28% | 0.278 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | 20.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S75 R76 | S75-G78 PolarHBondContact O-N 2.84Å; R76-G78 PolarHBondContact O-N 2.92Å |
| 79 | Y | 98.5 | Very high | 97.8 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 13% | 0.129 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.7 | -177 | -59.6 | -92.7 | 0 | 0 | 0 | 111.1 | S75 Q77 G91 T92 K93 K175 | S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.36Å; S75-Y79 PolarHBondContact N-O 3.34Å; Q77-Y79 HydrophobicContact CB-CD2 4.12Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.37Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.4Å; Y79-G91 WeakPolarHBondContact CD1-O 3.42Å; Y79-T92 CarbonylContact C-O 3.54Å; Y79-T92 WeakPolarHBondContact CA-O 3.45Å; Y79-K93 HydrophobicContact CD1-CG 3.87Å; Y79-K93 HydrophobicContact CE1-CD 4.29Å; Y79-K93 HydrophobicContact CE1-CG 3.87Å; Y79-K175 VanDerWaalsContact CE2-O 3.28Å; Y79-K175 WeakPolarHBondContact CE2-O 3.47Å; Y79-K175 PolarHBondContact OH-O 2.89Å |
| 80 | H | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.5 | 163.8 | -79.8 | -102.1 | 0 | 0 | 0 | 109.3 | Y74 Q82 G91 T92 E95 T100 K197 | Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.49Å; Y74-H80 WeakPolarHBondContact CD2-NE2 3.27Å; H80-Q82 PolarHBondContact O-N 3.39Å; H80-G91 CarbonylContact O-C 3.54Å; H80-G91 WeakPolarHBondContact O-CA 3.47Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.77Å; H80-T92 PolarHBondContact O-N 2.82Å; H80-E95 IonicContact NE2-OE1 3.62Å; H80-T100 HydrophobicContact CB-CG2 3.86Å; H80-K197 PolarHBondContact CE1-NZ 2.95Å; H80-K197 PolarHBondContact NE2-NZ 2.72Å; H80-K197 VanDerWaalsContact NE2-NZ 3.18Å |
| 81 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 137.3 | 170.8 | -170.1 | 70 | 0 | 0 | 0 | 108.8 | L73 I89 T100 F102 L123 L171 L173 | L73-L81 HydrophobicContact CB-CB 4.06Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.17Å; L81-I89 HydrophobicContact CD1-CG2 4.07Å; L81-T100 WeakPolarHBondContact O-CA 3.48Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD2-CE2 4.07Å; L81-F102 HydrophobicContact CD2-CZ 3.92Å; L81-F102 HydrophobicContact CG-CE2 4.07Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.28Å; L81-L123 HydrophobicContact CD2-CD1 3.97Å; L81-L171 HydrophobicContact CD1-CD1 4.48Å; L81-L171 HydrophobicContact CD2-CD2 4.12Å; L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.18Å; L81-L173 HydrophobicContact CD1-CG 4.47Å |
| 82 | Q | 98 | Very high | 97.8 | Very high | 20 Ų | 20 | 36.8 Ų | 36.8 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143 | -179.3 | 177.5 | 168.6 | -19.6 | 0 | 0 | 109.8 | H80 Q84 D90 T92 T100 | H80-Q82 PolarHBondContact O-N 3.39Å; Q82-Q84 HydrophobicContact CG-CG 3.99Å; Q82-Q84 VanDerWaalsContact NE2-CG 3.34Å; Q82-D90 PolarHBondContact N-O 3.33Å; Q82-D90 PolarHBondContact O-N 2.89Å; Q82-T92 HydrophobicContact CB-CG2 4.09Å; Q82-T100 HydrophobicContact CB-CG2 4.34Å |
| 83 | L | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 100.7 | 170.4 | 169.6 | 51.2 | 0 | 0 | 0 | 108.7 | I89 Y99 F102 T119 L121 L123 T133 | L83-I89 HydrophobicContact CD1-CG1 4.15Å; L83-Y99 PolarHBondContact N-O 2.81Å; L83-Y99 VanDerWaalsContact N-O 3.09Å; L83-Y99 WeakPolarHBondContact O-CB 3.4Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.41Å; L83-F102 HydrophobicContact CB-CE1 3.72Å; L83-F102 HydrophobicContact CB-CZ 3.91Å; L83-F102 HydrophobicContact CD2-CE1 4.29Å; L83-T119 HydrophobicContact CG-CG2 4.47Å; L83-L121 HydrophobicContact CD2-CB 4.15Å; L83-L123 HydrophobicContact CD2-CD2 4.17Å; L83-T133 HydrophobicContact CD1-CG2 3.33Å; L83-T133 HydrophobicContact CD2-CG2 4.31Å; L83-T133 HydrophobicContact CG-CG2 4.48Å |
| 84 | Q | 97.7 | Very high | 97.7 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | trans | -71 | 164.1 | -175.5 | -68.1 | -173.8 | 64.1 | 0 | 0 | 112.5 | Q82 D86 G87 T88 D90 T119 | Q82-Q84 HydrophobicContact CG-CG 3.99Å; Q82-Q84 VanDerWaalsContact NE2-CG 3.34Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.17Å; Q84-D86 PolarHBondContact O-N 2.89Å; Q84-G87 PolarHBondContact O-N 2.9Å; Q84-T88 PolarHBondContact N-O 2.98Å; Q84-D90 PolarHBondContact NE2-OD1 3.47Å; Q84-D90 PolarHBondContact NE2-OD2 2.58Å; Q84-T119 WeakPolarHBondContact O-CG2 3.32Å | ||
| 85 | A | 97.1 | Very high | 97.4 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G87 Y99 | A85-G87 VanDerWaalsContact C-N 3.26Å; A85-Y99 HydrophobicContact CB-CE1 3.92Å |
| 86 | D | 96.4 | Very high | 97.2 | Very high | 113 Ų | 113 | 53.7 Ų | 53.7 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.3 | 176.4 | 65.6 | -16.1 | 0 | 0 | 0 | 113.5 | Q84 T88 | Q84-D86 WeakPolarHBondContact CB-OD1 3.17Å; Q84-D86 PolarHBondContact O-N 2.89Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.31Å; D86-T88 PolarHBondContact OD1-N 3.46Å; D86-T88 PolarHBondContact OD1-OG1 2.78Å; D86-T88 WeakPolarHBondContact OD2-CB 3.45Å; D86-T88 PolarHBondContact OD2-OG1 3.29Å |
| 87 | G | 96.4 | Very high | 97.1 | Very high | 12 Ų | 12 | 49 Ų | 49 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 90.9 | 2.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q84 A85 T133 | Q84-G87 PolarHBondContact O-N 2.9Å; A85-G87 VanDerWaalsContact C-N 3.26Å; G87-T133 WeakPolarHBondContact O-CG2 3.14Å |
| 88 | T | 97.7 | Very high | 97.1 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | trans | -68.6 | 135 | 176.5 | -63 | 0 | 0 | 0 | 0 | 110.7 | Q84 D86 | Q84-T88 PolarHBondContact N-O 2.98Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.31Å; D86-T88 PolarHBondContact OD1-N 3.46Å; D86-T88 PolarHBondContact OD1-OG1 2.78Å; D86-T88 WeakPolarHBondContact OD2-CB 3.45Å; D86-T88 PolarHBondContact OD2-OG1 3.29Å | ||
| 89 | I | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.1 | 179 | -53.5 | 157.7 | 0 | 0 | 0 | 108.4 | L81 L83 L123 L131 T133 I179 | L81-I89 HydrophobicContact CD1-CG2 4.07Å; L83-I89 HydrophobicContact CD1-CG1 4.15Å; I89-L123 HydrophobicContact CD1-CD2 3.51Å; I89-L123 HydrophobicContact CG1-CD2 3.69Å; I89-L123 HydrophobicContact CG2-CD2 4.23Å; I89-L131 HydrophobicContact CD1-CB 4.23Å; I89-T133 HydrophobicContact CD1-CG2 3.94Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; I89-I179 HydrophobicContact CG2-CD1 4.03Å; I89-I179 HydrophobicContact CG2-CG1 4.36Å; I89-I179 WeakPolarHBondContact O-CB 3.49Å; I89-I179 WeakPolarHBondContact O-CG2 3.27Å |
| 90 | D | 98 | Very high | 97.1 | Very high | 44 Ų | 44 | 51.4 Ų | 51.4 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | -172.9 | -178.7 | 63.1 | -14.1 | 0 | 0 | 0 | 111.4 | Q82 Q84 G177 | Q82-D90 PolarHBondContact N-O 3.33Å; Q82-D90 PolarHBondContact O-N 2.89Å; Q84-D90 PolarHBondContact NE2-OD1 3.47Å; Q84-D90 PolarHBondContact NE2-OD2 2.58Å; D90-G177 CarbonylContact C-O 3.48Å |
| 91 | G | 98.2 | Very high | 97.1 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y79 H80 G177 | Y79-G91 WeakPolarHBondContact CD1-O 3.42Å; H80-G91 CarbonylContact O-C 3.54Å; H80-G91 WeakPolarHBondContact O-CA 3.47Å; G91-G177 VanDerWaalsContact CA-O 3.31Å; G91-G177 WeakPolarHBondContact CA-O 3.27Å; G91-G177 PolarHBondContact N-O 2.8Å |
| 92 | T | 98.1 | Very high | 97.1 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 155.3 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | Y79 H80 Q82 D94 T100 | Y79-T92 CarbonylContact C-O 3.54Å; Y79-T92 WeakPolarHBondContact CA-O 3.45Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.77Å; H80-T92 PolarHBondContact O-N 2.82Å; Q82-T92 HydrophobicContact CB-CG2 4.09Å; T92-D94 HydrophobicContact CG2-CB 4.4Å; T92-D94 WeakPolarHBondContact CG2-O 3.48Å; T92-D94 WeakPolarHBondContact OG1-CB 3.38Å; T92-D94 PolarHBondContact OG1-N 3.32Å; T92-T100 HydrophobicContact CG2-CG2 3.53Å |
| 93 | K | 97.4 | Very high | 97.1 | Very high | 149 Ų | 149 | 52.3 Ų | 52.3 | 65% | 0.648 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -92.9 | -8.6 | 167 | -66.3 | -179.1 | -178.9 | 173.8 | 0 | 112.5 | Y79 E95 | Y79-K93 HydrophobicContact CD1-CG 3.87Å; Y79-K93 HydrophobicContact CE1-CD 4.29Å; Y79-K93 HydrophobicContact CE1-CG 3.87Å; K93-E95 PolarHBondContact O-N 3.19Å |
| 94 | D | 96.5 | Very high | 97.1 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | trans | -73.6 | 104.5 | 176.6 | -179.4 | 9.7 | 0 | 0 | 0 | 110 | T92 D96 S97 | T92-D94 HydrophobicContact CG2-CB 4.4Å; T92-D94 WeakPolarHBondContact CG2-O 3.48Å; T92-D94 WeakPolarHBondContact OG1-CB 3.38Å; T92-D94 PolarHBondContact OG1-N 3.32Å; D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 2.97Å; D94-D96 PolarHBondContact OD1-N 3.01Å; D94-S97 PolarHBondContact OD1-N 3.33Å; D94-S97 WeakPolarHBondContact OD2-CB 3.41Å; D94-S97 PolarHBondContact OD2-N 2.77Å | ||
| 95 | E | 91.1 | Very high | 97 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -70.7 | -23.7 | 178.3 | -61.5 | -159.6 | 150.7 | 0 | 0 | 112.2 | K72 H80 K93 K197 | K72-E95 PolarHBondContact NZ-O 2.88Å; H80-E95 IonicContact NE2-OE1 3.62Å; K93-E95 PolarHBondContact O-N 3.19Å; E95-K197 IonicContact OE1-NZ 3.77Å |
| 96 | D | 94.3 | Very high | 97 | Very high | 144 Ų | 144 | 49 Ų | 49 | 77% | 0.77 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -91 | -8.5 | -174.9 | -67.6 | -38 | 0 | 0 | 0 | 113.3 | D94 T98 | D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 2.97Å; D94-D96 PolarHBondContact OD1-N 3.01Å; D96-T98 PolarHBondContact O-N 2.96Å |
| 97 | S | 95.9 | Very high | 97 | Very high | 12 Ų | 12 | 45 Ų | 45 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -55.4 | 121.2 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | D94 Y99 T100 | D94-S97 PolarHBondContact OD1-N 3.33Å; D94-S97 WeakPolarHBondContact OD2-CB 3.41Å; D94-S97 PolarHBondContact OD2-N 2.77Å; S97-Y99 PolarHBondContact O-N 2.71Å; S97-Y99 PolarHBondContact OG-N 2.77Å; S97-T100 PolarHBondContact O-N 3.13Å; S97-T100 VanDerWaalsContact O-N 3.17Å; S97-T100 PolarHBondContact O-OG1 3.37Å | ||
| 98 | T | 97.1 | Very high | 96.9 | Very high | 70 Ų | 70 | 46.4 Ų | 46.4 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -66.8 | -20.3 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | D96 T100 L101 Q118 | D96-T98 PolarHBondContact O-N 2.96Å; T98-T100 PolarHBondContact O-N 3.01Å; T98-L101 PolarHBondContact O-N 2.85Å; T98-Q118 WeakPolarHBondContact O-CG 3.31Å |
| 99 | Y | 98 | Very high | 96.8 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -75.8 | -7.5 | 177 | -63.4 | -70.6 | 0 | 0 | 0 | 113.7 | L83 A85 S97 L101 Q118 T119 | L83-Y99 PolarHBondContact N-O 2.81Å; L83-Y99 VanDerWaalsContact N-O 3.09Å; L83-Y99 WeakPolarHBondContact O-CB 3.4Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.41Å; A85-Y99 HydrophobicContact CB-CE1 3.92Å; S97-Y99 PolarHBondContact O-N 2.71Å; S97-Y99 PolarHBondContact OG-N 2.77Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; Y99-Q118 HydrophobicContact CD1-CB 3.93Å; Y99-Q118 HydrophobicContact CD1-CG 4.24Å; Y99-Q118 HydrophobicContact CE1-CB 3.98Å; Y99-Q118 HydrophobicContact CE1-CG 4.46Å; Y99-T119 HydrophobicContact CD1-CG2 4.37Å; Y99-T119 HydrophobicContact CE1-CG2 4.37Å |
| 100 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -84.6 | -4.2 | 174.5 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | K72 H80 L81 Q82 T92 S97 T98 F102 | K72-T100 WeakPolarHBondContact CE-OG1 3.44Å; H80-T100 HydrophobicContact CB-CG2 3.86Å; L81-T100 WeakPolarHBondContact O-CA 3.48Å; Q82-T100 HydrophobicContact CB-CG2 4.34Å; T92-T100 HydrophobicContact CG2-CG2 3.53Å; S97-T100 PolarHBondContact O-N 3.13Å; S97-T100 VanDerWaalsContact O-N 3.17Å; S97-T100 PolarHBondContact O-OG1 3.37Å; T98-T100 PolarHBondContact O-N 3.01Å; T100-F102 VanDerWaalsContact O-CD2 3.31Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å |
| 101 | L | 98.1 | Very high | 96.7 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | trans | -87.4 | 125.1 | -179.8 | -65.1 | 174.1 | 0 | 0 | 0 | 111 | V70 K72 T98 Y99 V117 L199 | V70-L101 HydrophobicContact CG1-CD2 4.45Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; T98-L101 PolarHBondContact O-N 2.85Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; L101-V117 HydrophobicContact CB-CB 3.89Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.22Å; L101-V117 WeakPolarHBondContact O-CG2 3.38Å; L101-V117 PolarHBondContact O-N 2.98Å; L101-L199 HydrophobicContact CD2-CD2 4.16Å | ||
| 102 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143 | 177.1 | -63.1 | -86.8 | 0 | 0 | 0 | 112.2 | V70 T71 L81 L83 T100 I114 Q115 L123 | V70-F102 CarbonylContact C-O 3.59Å; V70-F102 WeakPolarHBondContact CA-O 3.47Å; T71-F102 PolarHBondContact N-O 3.01Å; T71-F102 PolarHBondContact O-N 3.38Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD2-CE2 4.07Å; L81-F102 HydrophobicContact CD2-CZ 3.92Å; L81-F102 HydrophobicContact CG-CE2 4.07Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.28Å; L83-F102 HydrophobicContact CB-CE1 3.72Å; L83-F102 HydrophobicContact CB-CZ 3.91Å; L83-F102 HydrophobicContact CD2-CE1 4.29Å; T100-F102 VanDerWaalsContact O-CD2 3.31Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å; F102-I114 HydrophobicContact CB-CG2 4.11Å; F102-I114 HydrophobicContact CD1-CG2 3.67Å; F102-I114 HydrophobicContact CE1-CG2 4.37Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; F102-Q115 CarbonylContact C-O 3.55Å; F102-Q115 WeakPolarHBondContact CA-O 3.22Å; F102-L123 HydrophobicContact CE1-CD1 4.4Å |
| 103 | N | 97.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.2 | 161.1 | -57.9 | -39.4 | 0 | 0 | 0 | 108 | I105 Q115 V117 Y204 | N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; N103-Q115 HydrophobicContact CB-CB 4.25Å; N103-Q115 PolarHBondContact N-O 3.48Å; N103-Q115 PolarHBondContact ND2-OE1 3.05Å; N103-Q115 PolarHBondContact O-N 3.18Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.4Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.19Å; N103-Y204 PolarHBondContact OD1-OH 3.45Å |
| 104 | L | 97.7 | Very high | 96.8 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 101.3 | 170.2 | -137.1 | 73.8 | 0 | 0 | 0 | 108.1 | G68 I69 T71 V112 I114 Y155 | G68-L104 VanDerWaalsContact CA-O 3.28Å; G68-L104 WeakPolarHBondContact CA-O 3.35Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.33Å; I69-L104 HydrophobicContact CG1-CB 3.71Å; I69-L104 HydrophobicContact CG1-CD2 4.49Å; I69-L104 PolarHBondContact N-O 3.43Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 3.19Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.36Å; T71-L104 HydrophobicContact CG2-CD2 4.44Å; L104-V112 HydrophobicContact CG-CB 4.29Å; L104-V112 HydrophobicContact CG-CG1 4.35Å; L104-V112 HydrophobicContact CG-CG2 4.43Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.41Å; L104-I114 HydrophobicContact CD1-CG1 3.84Å; L104-I114 HydrophobicContact CD1-CG2 4.24Å; L104-Y155 HydrophobicContact CD2-CE1 4.47Å |
| 105 | I | 97 | Very high | 96.8 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.4 | -171.6 | -52.5 | 173.9 | 0 | 0 | 0 | 108.7 | L66 N103 V107 V112 A113 Y204 P207 | L66-I105 HydrophobicContact CB-CG2 4.38Å; L66-I105 HydrophobicContact CD1-CG2 3.79Å; N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; I105-V107 HydrophobicContact CG2-CG1 4.34Å; I105-V107 PolarHBondContact O-N 3.4Å; I105-V112 CarbonylContact O-C 3.55Å; I105-V112 VanDerWaalsContact O-CA 3.27Å; I105-V112 WeakPolarHBondContact O-CA 3.37Å; I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.91Å; I105-A113 PolarHBondContact O-N 3.41Å; I105-Y204 HydrophobicContact CD1-CD1 4.11Å; I105-Y204 HydrophobicContact CD1-CG 4.15Å; I105-Y204 HydrophobicContact CG1-CD1 4.19Å; I105-Y204 HydrophobicContact CG1-CD2 3.95Å; I105-Y204 HydrophobicContact CG1-CE1 4.47Å; I105-Y204 HydrophobicContact CG1-CE2 4.22Å; I105-Y204 HydrophobicContact CG1-CG 3.92Å; I105-Y204 HydrophobicContact CG2-CD2 4.44Å; I105-Y204 HydrophobicContact CG2-CG 4.42Å; I105-P207 HydrophobicContact CD1-CG 4.45Å; I105-P207 HydrophobicContact CG2-CG 4.44Å |
| 106 | P | 96.9 | Very high | 97.2 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 29% | 0.292 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 110.9 | 179.8 | 29.4 | -33.2 | 0 | 0 | 0 | 110.5 | L66 K67 | L66-P106 HydrophobicContact CB-CG 4.41Å; L66-P106 WeakPolarHBondContact CD1-O 3.24Å; K67-P106 WeakPolarHBondContact O-CG 3.47Å |
| 107 | V | 95.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 18% | 0.176 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 5.4 | -178.9 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | I105 V111 A113 F137 K142 | I105-V107 HydrophobicContact CG2-CG1 4.34Å; I105-V107 PolarHBondContact O-N 3.4Å; V107-V111 HydrophobicContact CG2-CB 4.19Å; V107-V111 HydrophobicContact CG2-CG1 3.69Å; V107-V111 PolarHBondContact N-O 2.78Å; V107-A113 HydrophobicContact CG1-CB 3.97Å; V107-F137 HydrophobicContact CB-CZ 4.11Å; V107-F137 HydrophobicContact CG1-CE1 4.4Å; V107-F137 HydrophobicContact CG1-CE2 4.32Å; V107-F137 HydrophobicContact CG1-CZ 3.77Å; V107-F137 HydrophobicContact CG2-CZ 4.13Å; V107-K142 HydrophobicContact CG2-CG 4.25Å |
| 108 | G | 94.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 42% | 0.423 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -179.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R110 V111 | G108-R110 PolarHBondContact O-N 3.19Å; G108-V111 PolarHBondContact N-O 2.86Å; G108-V111 PolarHBondContact O-N 3.39Å; G108-V111 VanDerWaalsContact O-N 3.15Å |
| 109 | L | 95.3 | Very high | 97.4 | Very high | 166 Ų | 166 | 36.5 Ų | 36.5 | 87% | 0.869 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 108.7 | 176.6 | 179.7 | 64.8 | 0 | 0 | 0 | 110 | V111 | L109-V111 PolarHBondContact O-N 3.18Š|
| 110 | R | 96.2 | Very high | 97.3 | Very high | 143 Ų | 143 | 38 Ų | 38 | 54% | 0.54 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 29.4 | -175 | -54.6 | -61.1 | -157.7 | 171.9 | 4.4 | 113.2 | G108 K144 E145 | G108-R110 PolarHBondContact O-N 3.19Å; R110-K144 WeakPolarHBondContact O-CA 3.35Å; R110-E145 HydrophobicContact CB-CG 4.08Å; R110-E145 WeakPolarHBondContact CD-OE1 3.5Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 2.74Å; R110-E145 VanDerWaalsContact O-CG 3.31Å; R110-E145 WeakPolarHBondContact O-CG 3.43Å; R110-E145 PolarHBondContact O-N 3.37Å |
| 111 | V | 98 | Very high | 97.3 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.1 | 175.5 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | V107 G108 L109 K142 F143 M158 | V107-V111 HydrophobicContact CG2-CB 4.19Å; V107-V111 HydrophobicContact CG2-CG1 3.69Å; V107-V111 PolarHBondContact N-O 2.78Å; G108-V111 PolarHBondContact N-O 2.86Å; G108-V111 PolarHBondContact O-N 3.39Å; G108-V111 VanDerWaalsContact O-N 3.15Å; L109-V111 PolarHBondContact O-N 3.18Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.47Å; V111-F143 CarbonylContact C-O 3.54Å; V111-F143 WeakPolarHBondContact CA-O 3.28Å; V111-M158 HydrophobicContact CG1-CG 3.78Å; V111-M158 HydrophobicContact CG1-SD 4.12Å; V111-M158 HydrophobicContact CG2-CE 3.9Å; V111-M158 HydrophobicContact CG2-CG 4.42Å; V111-M158 HydrophobicContact CG2-SD 3.65Å |
| 112 | V | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.2 | -178.3 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | L104 I105 I114 F143 E145 Y155 | L104-V112 HydrophobicContact CG-CB 4.29Å; L104-V112 HydrophobicContact CG-CG1 4.35Å; L104-V112 HydrophobicContact CG-CG2 4.43Å; I105-V112 CarbonylContact O-C 3.55Å; I105-V112 VanDerWaalsContact O-CA 3.27Å; I105-V112 WeakPolarHBondContact O-CA 3.37Å; V112-I114 HydrophobicContact CG2-CG1 4.24Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 2.92Å; V112-F143 PolarHBondContact O-N 2.85Å; V112-E145 HydrophobicContact CG1-CG 4.22Å; V112-Y155 HydrophobicContact CG2-CD1 3.85Å; V112-Y155 HydrophobicContact CG2-CE1 3.81Å |
| 113 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | I105 V107 Y122 F137 | I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.91Å; I105-A113 PolarHBondContact O-N 3.41Å; V107-A113 HydrophobicContact CG1-CB 3.97Å; A113-Y122 HydrophobicContact CB-CD1 4.17Å; A113-Y122 HydrophobicContact CB-CE1 4.24Å; A113-F137 HydrophobicContact CB-CD2 4.14Å; A113-F137 HydrophobicContact CB-CE2 3.59Å; A113-F137 HydrophobicContact CB-CZ 4.41Å |
| 114 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116 | 178.6 | -49.9 | 179.7 | 0 | 0 | 0 | 106.9 | L73 F102 L104 V112 Y122 L123 F143 Y155 L171 | L73-I114 HydrophobicContact CD1-CD1 4.44Å; L73-I114 HydrophobicContact CD1-CG2 4.26Å; F102-I114 HydrophobicContact CB-CG2 4.11Å; F102-I114 HydrophobicContact CD1-CG2 3.67Å; F102-I114 HydrophobicContact CE1-CG2 4.37Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.41Å; L104-I114 HydrophobicContact CD1-CG1 3.84Å; L104-I114 HydrophobicContact CD1-CG2 4.24Å; V112-I114 HydrophobicContact CG2-CG1 4.24Å; I114-Y122 CarbonylContact O-C 3.49Å; I114-Y122 WeakPolarHBondContact O-CA 3.49Å; I114-L123 HydrophobicContact CB-CB 4.33Å; I114-L123 HydrophobicContact CB-CD1 4.12Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CD1-CD1 4.5Å; I114-L123 HydrophobicContact CG2-CD1 3.74Å; I114-L123 HydrophobicContact CG2-CG 4.21Å; I114-L123 PolarHBondContact O-N 2.92Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.4Å; I114-F143 HydrophobicContact CG1-CD2 4.17Å; I114-Y155 HydrophobicContact CD1-CD1 4.12Å; I114-Y155 HydrophobicContact CD1-CD2 4.4Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.08Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å |
| 115 | Q | 98.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.1 | -176.6 | -172.8 | -167.1 | 41.4 | 0 | 0 | 110.7 | F102 N103 V117 K120 L121 Y122 | F102-Q115 CarbonylContact C-O 3.55Å; F102-Q115 WeakPolarHBondContact CA-O 3.22Å; N103-Q115 HydrophobicContact CB-CB 4.25Å; N103-Q115 PolarHBondContact N-O 3.48Å; N103-Q115 PolarHBondContact ND2-OE1 3.05Å; N103-Q115 PolarHBondContact O-N 3.18Å; Q115-V117 PolarHBondContact O-N 2.84Å; Q115-K120 WeakPolarHBondContact CG-O 3.31Å; Q115-K120 PolarHBondContact NE2-O 2.81Å; Q115-L121 CarbonylContact C-O 3.55Å; Q115-L121 VanDerWaalsContact CA-O 3.31Å; Q115-L121 WeakPolarHBondContact CA-O 3.38Å; Q115-L121 WeakPolarHBondContact CG-O 3.14Å; Q115-Y122 HydrophobicContact CB-CD1 3.78Å; Q115-Y122 HydrophobicContact CB-CE1 3.84Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 4Å; Q115-Y122 HydrophobicContact CG-CG 4.46Å |
| 116 | G | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 130.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q118 K120 L121 | G116-Q118 VanDerWaalsContact C-N 3.34Å; G116-Q118 PolarHBondContact O-N 2.9Å; G116-K120 VanDerWaalsContact O-CA 3.28Å; G116-K120 WeakPolarHBondContact O-CA 3.4Å; G116-K120 PolarHBondContact O-N 2.79Å; G116-L121 PolarHBondContact N-O 2.85Å |
| 117 | V | 97.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -41 | -179.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | V70 L101 N103 Q115 K120 | V70-V117 HydrophobicContact CG1-CG2 4.14Å; L101-V117 HydrophobicContact CB-CB 3.89Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.22Å; L101-V117 WeakPolarHBondContact O-CG2 3.38Å; L101-V117 PolarHBondContact O-N 2.98Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.4Å; Q115-V117 PolarHBondContact O-N 2.84Å; V117-K120 WeakPolarHBondContact O-CD 3.37Å; V117-K120 VanDerWaalsContact O-CE 3.27Å; V117-K120 WeakPolarHBondContact O-CE 3.5Å; V117-K120 PolarHBondContact O-NZ 3.04Å |
| 118 | Q | 97 | Very high | 97.5 | Very high | 98 Ų | 98 | 45.4 Ų | 45.4 | 46% | 0.458 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -50.3 | -178.1 | -63 | -58.1 | -24.9 | 0 | 0 | 111.9 | T98 Y99 G116 | T98-Q118 WeakPolarHBondContact O-CG 3.31Å; Y99-Q118 HydrophobicContact CD1-CB 3.93Å; Y99-Q118 HydrophobicContact CD1-CG 4.24Å; Y99-Q118 HydrophobicContact CE1-CB 3.98Å; Y99-Q118 HydrophobicContact CE1-CG 4.46Å; G116-Q118 VanDerWaalsContact C-N 3.34Å; G116-Q118 PolarHBondContact O-N 2.9Å |
| 119 | T | 96.8 | Very high | 97.6 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -19.9 | -172.9 | 59 | 0 | 0 | 0 | 0 | 114.2 | L83 Q84 Y99 L121 | L83-T119 HydrophobicContact CG-CG2 4.47Å; Q84-T119 WeakPolarHBondContact O-CG2 3.32Å; Y99-T119 HydrophobicContact CD1-CG2 4.37Å; Y99-T119 HydrophobicContact CE1-CG2 4.37Å; T119-L121 PolarHBondContact O-N 3.13Å; T119-L121 PolarHBondContact OG1-N 3.38Å |
| 120 | K | 97.2 | Very high | 97.7 | Very high | 116 Ų | 116 | 40.9 Ų | 40.9 | 50% | 0.504 | 19% | 0.194 | S | C | . | . | trans | 59.9 | 6.3 | -170.5 | -51.9 | -54.4 | -175.8 | -163.8 | 0 | 115 | Q115 G116 V117 | Q115-K120 WeakPolarHBondContact CG-O 3.31Å; Q115-K120 PolarHBondContact NE2-O 2.81Å; G116-K120 VanDerWaalsContact O-CA 3.28Å; G116-K120 WeakPolarHBondContact O-CA 3.4Å; G116-K120 PolarHBondContact O-N 2.79Å; V117-K120 WeakPolarHBondContact O-CD 3.37Å; V117-K120 VanDerWaalsContact O-CE 3.27Å; V117-K120 WeakPolarHBondContact O-CE 3.5Å; V117-K120 PolarHBondContact O-NZ 3.04Å | ||
| 121 | L | 98.1 | Very high | 97.8 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 19% | 0.188 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 141.5 | 175.2 | -61.6 | 173.3 | 0 | 0 | 0 | 110.3 | L83 Q115 G116 T119 T133 E135 | L83-L121 HydrophobicContact CD2-CB 4.15Å; Q115-L121 CarbonylContact C-O 3.55Å; Q115-L121 VanDerWaalsContact CA-O 3.31Å; Q115-L121 WeakPolarHBondContact CA-O 3.38Å; Q115-L121 WeakPolarHBondContact CG-O 3.14Å; G116-L121 PolarHBondContact N-O 2.85Å; T119-L121 PolarHBondContact O-N 3.13Å; T119-L121 PolarHBondContact OG1-N 3.38Å; L121-T133 HydrophobicContact CB-CG2 4.47Å; L121-T133 HydrophobicContact CD1-CG2 4.35Å; L121-E135 HydrophobicContact CD2-CB 4.18Å |
| 122 | Y | 98.3 | Very high | 97.8 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141.3 | 171.3 | -64.1 | -83 | 0 | 0 | 0 | 110.1 | A113 I114 Q115 T133 S134 F137 | A113-Y122 HydrophobicContact CB-CD1 4.17Å; A113-Y122 HydrophobicContact CB-CE1 4.24Å; I114-Y122 CarbonylContact O-C 3.49Å; I114-Y122 WeakPolarHBondContact O-CA 3.49Å; Q115-Y122 HydrophobicContact CB-CD1 3.78Å; Q115-Y122 HydrophobicContact CB-CE1 3.84Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 4Å; Q115-Y122 HydrophobicContact CG-CG 4.46Å; Y122-T133 CarbonylContact O-C 3.57Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.33Å; Y122-S134 PolarHBondContact N-O 3.01Å; Y122-S134 PolarHBondContact O-N 2.95Å; Y122-F137 HydrophobicContact CD1-CD2 4.25Å; Y122-F137 HydrophobicContact CD2-CB 4.44Å; Y122-F137 HydrophobicContact CE1-CD2 4.25Å; Y122-F137 HydrophobicContact CE2-CB 4.09Å |
| 123 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 139.1 | 161 | -61.2 | -175.9 | 0 | 0 | 0 | 108.7 | L81 L83 I89 F102 I114 C141 F143 | L81-L123 HydrophobicContact CD2-CD1 3.97Å; L83-L123 HydrophobicContact CD2-CD2 4.17Å; I89-L123 HydrophobicContact CD1-CD2 3.51Å; I89-L123 HydrophobicContact CG1-CD2 3.69Å; I89-L123 HydrophobicContact CG2-CD2 4.23Å; F102-L123 HydrophobicContact CE1-CD1 4.4Å; I114-L123 HydrophobicContact CB-CB 4.33Å; I114-L123 HydrophobicContact CB-CD1 4.12Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CD1-CD1 4.5Å; I114-L123 HydrophobicContact CG2-CD1 3.74Å; I114-L123 HydrophobicContact CG2-CG 4.21Å; I114-L123 PolarHBondContact O-N 2.92Å; L123-C141 WeakPolarHBondContact O-CA 3.36Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.29Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å |
| 124 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L131 Y132 E140 | A124-L131 VanDerWaalsContact O-CA 3.31Å; A124-L131 WeakPolarHBondContact O-CA 3.38Å; A124-Y132 HydrophobicContact CB-CD1 3.95Å; A124-Y132 HydrophobicContact CB-CD2 4.46Å; A124-Y132 HydrophobicContact CB-CE1 3.34Å; A124-Y132 HydrophobicContact CB-CE2 3.94Å; A124-Y132 HydrophobicContact CB-CG 4.45Å; A124-Y132 WeakPolarHBondContact CB-OH 3.32Å; A124-Y132 PolarHBondContact N-O 3.45Å; A124-Y132 PolarHBondContact O-N 3.03Å; A124-E140 WeakPolarHBondContact CA-O 3.49Å; A124-E140 HydrophobicContact CB-CB 4.1Å |
| 125 | M | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.1 | 176 | -177.3 | -177.1 | -68.4 | 0 | 0 | 109.2 | Y130 L131 E140 F143 Y160 W169 | M125-Y130 WeakPolarHBondContact CA-O 3.4Å; M125-L131 HydrophobicContact CE-CD1 3.76Å; M125-L131 HydrophobicContact CE-CD2 4.38Å; M125-L131 HydrophobicContact CE-CG 3.96Å; M125-E140 PolarHBondContact N-O 3.29Å; M125-F143 HydrophobicContact CB-CE1 4.34Å; M125-F143 HydrophobicContact CB-CZ 4.47Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; M125-Y160 WeakPolarHBondContact O-CD2 3.37Å; M125-Y160 WeakPolarHBondContact O-CE2 3.21Å; M125-W169 HydrophobicContact SD-CB 3.72Å; M125-W169 HydrophobicContact SD-CE3 4.22Å |
| 126 | N | 97.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | trans | -80.4 | 174.8 | -177.1 | 74.8 | 5.9 | 0 | 0 | 0 | 112.7 | E128 G129 Y130 Y132 E140 Y160 | N126-E128 PolarHBondContact O-N 3.19Å; N126-E128 WeakPolarHBondContact OD1-CB 3.33Å; N126-E128 PolarHBondContact OD1-N 3.37Å; N126-E128 VanDerWaalsContact OD1-N 3.13Å; N126-G129 PolarHBondContact O-N 3.19Å; N126-G129 PolarHBondContact OD1-N 3.44Å; N126-Y130 PolarHBondContact N-O 3.42Å; N126-Y130 PolarHBondContact OD1-N 2.94Å; N126-Y130 PolarHBondContact OD1-O 2.94Å; N126-Y132 HydrophobicContact CB-CD1 4.17Å; N126-Y132 HydrophobicContact CB-CE1 3.98Å; N126-E140 WeakPolarHBondContact CA-OE2 3.31Å; N126-Y160 VanDerWaalsContact C-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CE2 3.31Å | ||
| 127 | S | 97 | Very high | 97.5 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.4 | -178.9 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | Y160 W169 | S127-Y160 VanDerWaalsContact CA-CZ 3.41Å; S127-W169 WeakPolarHBondContact O-CH2 3.39Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.24Å |
| 128 | E | 97.1 | Very high | 97.4 | Very high | 114 Ų | 114 | 48 Ų | 48 | 53% | 0.533 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -17 | 174.6 | -60.7 | -178.7 | 174.5 | 0 | 0 | 111.9 | N126 Y130 K181 | N126-E128 PolarHBondContact O-N 3.19Å; N126-E128 WeakPolarHBondContact OD1-CB 3.33Å; N126-E128 PolarHBondContact OD1-N 3.37Å; N126-E128 VanDerWaalsContact OD1-N 3.13Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.97Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.43Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.39Å; E128-K181 WeakPolarHBondContact O-CE 3.47Å; E128-K181 PolarHBondContact O-NZ 3.2Å |
| 129 | G | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 95.7 | 8.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N126 W169 K181 G182 | N126-G129 PolarHBondContact O-N 3.19Å; N126-G129 PolarHBondContact OD1-N 3.44Å; G129-W169 VanDerWaalsContact CA-CE3 3.47Å; G129-W169 VanDerWaalsContact N-CZ3 3.25Å; G129-K181 CarbonylContact O-C 3.45Å; G129-K181 WeakPolarHBondContact O-CG 3.48Å; G129-G182 PolarHBondContact O-N 3.27Å |
| 130 | Y | 98.2 | Very high | 97.5 | Very high | 113 Ų | 113 | 44.2 Ų | 44.2 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | trans | -75.2 | 138.5 | 170.6 | -64.8 | -71.1 | 0 | 0 | 0 | 110 | M125 N126 E128 K181 | M125-Y130 WeakPolarHBondContact CA-O 3.4Å; N126-Y130 PolarHBondContact N-O 3.42Å; N126-Y130 PolarHBondContact OD1-N 2.94Å; N126-Y130 PolarHBondContact OD1-O 2.94Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.97Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.43Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.39Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.09Å; Y130-K181 HydrophobicContact CE1-CD 3.86Å; Y130-K181 HydrophobicContact CE1-CG 4.05Å; Y130-K181 PolarHBondContact OH-NZ 3.29Å | ||
| 131 | L | 98.2 | Very high | 97.5 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.2 | 169 | -71.1 | 91.3 | 0 | 0 | 0 | 109.1 | I89 A124 M125 L171 I179 M180 | I89-L131 HydrophobicContact CD1-CB 4.23Å; A124-L131 VanDerWaalsContact O-CA 3.31Å; A124-L131 WeakPolarHBondContact O-CA 3.38Å; M125-L131 HydrophobicContact CE-CD1 3.76Å; M125-L131 HydrophobicContact CE-CD2 4.38Å; M125-L131 HydrophobicContact CE-CG 3.96Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.24Å; L131-L171 HydrophobicContact CD2-CG 4.27Å; L131-I179 HydrophobicContact CB-CD1 4.4Å; L131-I179 HydrophobicContact CB-CG1 4.04Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.05Å; L131-I179 HydrophobicContact CD2-CD1 3.83Å; L131-I179 HydrophobicContact CD2-CG1 4.36Å; L131-I179 HydrophobicContact CG-CD1 4.36Å; L131-I179 HydrophobicContact CG-CG1 4.38Å; L131-M180 VanDerWaalsContact CD1-O 3.24Å; L131-M180 WeakPolarHBondContact CD1-O 3.32Å |
| 132 | Y | 97.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 172.5 | 179.6 | 75.5 | -78.7 | 0 | 0 | 0 | 109.3 | A124 N126 E140 | A124-Y132 HydrophobicContact CB-CD1 3.95Å; A124-Y132 HydrophobicContact CB-CD2 4.46Å; A124-Y132 HydrophobicContact CB-CE1 3.34Å; A124-Y132 HydrophobicContact CB-CE2 3.94Å; A124-Y132 HydrophobicContact CB-CG 4.45Å; A124-Y132 WeakPolarHBondContact CB-OH 3.32Å; A124-Y132 PolarHBondContact N-O 3.45Å; A124-Y132 PolarHBondContact O-N 3.03Å; N126-Y132 HydrophobicContact CB-CD1 4.17Å; N126-Y132 HydrophobicContact CB-CE1 3.98Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.33Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 2.99Å |
| 133 | T | 98.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.3 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | L83 G87 I89 L121 Y122 | L83-T133 HydrophobicContact CD1-CG2 3.33Å; L83-T133 HydrophobicContact CD2-CG2 4.31Å; L83-T133 HydrophobicContact CG-CG2 4.48Å; G87-T133 WeakPolarHBondContact O-CG2 3.14Å; I89-T133 HydrophobicContact CD1-CG2 3.94Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; L121-T133 HydrophobicContact CB-CG2 4.47Å; L121-T133 HydrophobicContact CD1-CG2 4.35Å; Y122-T133 CarbonylContact O-C 3.57Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.33Å |
| 134 | S | 97.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.3 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | Y122 H136 | Y122-S134 PolarHBondContact N-O 3.01Å; Y122-S134 PolarHBondContact O-N 2.95Å; S134-H136 WeakPolarHBondContact CB-O 3.5Å; S134-H136 PolarHBondContact OG-N 3.49Å; S134-H136 PolarHBondContact OG-O 3.39Å |
| 135 | E | 96.2 | Very high | 97.5 | Very high | 147 Ų | 147 | 44.5 Ų | 44.5 | 69% | 0.687 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -68.7 | -40.4 | 171 | -176 | 177.1 | 176.5 | 0 | 0 | 111 | L121 | L121-E135 HydrophobicContact CD2-CB 4.18Š|
| 136 | H | 96.1 | Very high | 97.4 | Very high | 64 Ų | 64 | 46.1 Ų | 46.1 | 30% | 0.296 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -92.6 | 146.4 | -178.6 | -62.2 | -89 | 0 | 0 | 0 | 111.5 | S134 T138 H210 F215 | S134-H136 WeakPolarHBondContact CB-O 3.5Å; S134-H136 PolarHBondContact OG-N 3.49Å; S134-H136 PolarHBondContact OG-O 3.39Å; H136-T138 PolarHBondContact O-N 2.99Å; H136-H210 HydrophobicContact CB-CB 4.26Å; H136-H210 AromaticContact CE1-NE2 3.97Å; H136-H210 AromaticContact ND1-CD2 3.56Å; H136-H210 AromaticContact ND1-CE1 3.57Å; H136-H210 AromaticContact ND1-CG 3.97Å; H136-H210 AromaticContact ND1-ND1 3.98Å; H136-H210 AromaticContact ND1-NE2 3.26Å; H136-H210 PolarHBondContact ND1-NE2 3.14Å; H136-F215 HydrophobicContact CB-CE1 4.15Å; H136-F215 HydrophobicContact CB-CE2 4.48Å; H136-F215 HydrophobicContact CB-CZ 3.51Å; H136-F215 AromaticContact CD2-CE1 3.38Å; H136-F215 WeakPolarHBondContact CD2-CE1 3.47Å; H136-F215 AromaticContact CD2-CZ 3.65Å; H136-F215 AromaticContact CG-CE1 3.9Å; H136-F215 AromaticContact CG-CZ 3.64Å |
| 137 | F | 96.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 48 Ų | 48 | 4% | 0.044 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 108.3 | 173.4 | -179.2 | -115.1 | 0 | 0 | 0 | 110.4 | V107 A113 Y122 C141 K142 P207 L209 H210 | V107-F137 HydrophobicContact CB-CZ 4.11Å; V107-F137 HydrophobicContact CG1-CE1 4.4Å; V107-F137 HydrophobicContact CG1-CE2 4.32Å; V107-F137 HydrophobicContact CG1-CZ 3.77Å; V107-F137 HydrophobicContact CG2-CZ 4.13Å; A113-F137 HydrophobicContact CB-CD2 4.14Å; A113-F137 HydrophobicContact CB-CE2 3.59Å; A113-F137 HydrophobicContact CB-CZ 4.41Å; Y122-F137 HydrophobicContact CD1-CD2 4.25Å; Y122-F137 HydrophobicContact CD2-CB 4.44Å; Y122-F137 HydrophobicContact CE1-CD2 4.25Å; Y122-F137 HydrophobicContact CE2-CB 4.09Å; F137-C141 HydrophobicContact CD2-CB 3.57Å; F137-C141 HydrophobicContact CE2-CB 3.73Å; F137-K142 HydrophobicContact CE2-CG 4.12Å; F137-K142 HydrophobicContact CZ-CD 4.32Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; F137-P207 HydrophobicContact CB-CB 3.7Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.27Å; F137-P207 HydrophobicContact CE1-CB 4.24Å; F137-P207 HydrophobicContact CG-CB 3.59Å; F137-P207 HydrophobicContact CG-CG 4.47Å; F137-L209 HydrophobicContact CD1-CB 4.4Å; F137-L209 HydrophobicContact CD1-CD1 3.96Å; F137-L209 HydrophobicContact CE1-CD1 3.89Å; F137-L209 CarbonylContact O-C 3.59Å; F137-L209 WeakPolarHBondContact O-CA 3.31Å; F137-H210 PolarHBondContact O-N 3.38Å |
| 138 | T | 96.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -112.5 | 170.3 | 179.4 | 67 | 0 | 0 | 0 | 0 | 111 | H136 E140 C141 L212 F215 | H136-T138 PolarHBondContact O-N 2.99Å; T138-E140 PolarHBondContact O-N 2.88Å; T138-E140 PolarHBondContact OG1-N 3.32Å; T138-C141 PolarHBondContact N-SG 2.72Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.31Å; T138-C141 WeakPolarHBondContact O-CB 3.47Å; T138-C141 PolarHBondContact O-N 3.29Å; T138-C141 PolarHBondContact OG1-SG 3.16Å; T138-C141 VanDerWaalsContact OG1-SG 3.39Å; T138-L212 HydrophobicContact CG2-CD2 4.06Å; T138-F215 HydrophobicContact CG2-CD2 4.37Å; T138-F215 HydrophobicContact CG2-CE2 3.56Å; T138-F215 HydrophobicContact CG2-CZ 4.15Å | ||
| 139 | P | 96.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -55.6 | -28.4 | 170.8 | -27.6 | 35.8 | 0 | 0 | 0 | 114.3 | C141 K142 L209 H210 | P139-C141 PolarHBondContact O-N 3.39Å; P139-K142 WeakPolarHBondContact O-CB 3.38Å; P139-K142 PolarHBondContact O-N 3.23Å; P139-L209 HydrophobicContact CG-CD1 4.14Å; P139-H210 WeakPolarHBondContact CD-O 3.31Å |
| 140 | E | 97.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -68.6 | -20.1 | 176.1 | -70.4 | -171.2 | 173.9 | 0 | 0 | 113.1 | A124 M125 N126 Y132 T138 K142 I159 Y160 L212 | A124-E140 WeakPolarHBondContact CA-O 3.49Å; A124-E140 HydrophobicContact CB-CB 4.1Å; M125-E140 PolarHBondContact N-O 3.29Å; N126-E140 WeakPolarHBondContact CA-OE2 3.31Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.33Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 2.99Å; T138-E140 PolarHBondContact O-N 2.88Å; T138-E140 PolarHBondContact OG1-N 3.32Å; E140-K142 VanDerWaalsContact C-N 3.25Å; E140-K142 PolarHBondContact O-N 2.76Å; E140-I159 HydrophobicContact CG-CD1 3.81Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 PolarHBondContact OE1-OH 2.98Å; E140-L212 HydrophobicContact CB-CD2 4.5Å; E140-L212 HydrophobicContact CG-CD1 4.11Å; E140-L212 HydrophobicContact CG-CD2 3.92Å |
| 141 | C | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -80.7 | -3.3 | 177 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | L123 F137 T138 P139 F143 | L123-C141 WeakPolarHBondContact O-CA 3.36Å; F137-C141 HydrophobicContact CD2-CB 3.57Å; F137-C141 HydrophobicContact CE2-CB 3.73Å; T138-C141 PolarHBondContact N-SG 2.72Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.31Å; T138-C141 WeakPolarHBondContact O-CB 3.47Å; T138-C141 PolarHBondContact O-N 3.29Å; T138-C141 PolarHBondContact OG1-SG 3.16Å; T138-C141 VanDerWaalsContact OG1-SG 3.39Å; P139-C141 PolarHBondContact O-N 3.39Å; C141-F143 WeakPolarHBondContact O-CD2 3.48Å |
| 142 | K | 98.2 | Very high | 96.6 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 24% | 0.239 | 27% | 0.273 | C | S | . | . | trans | -92.1 | 114.9 | -176.2 | -64.2 | -176.1 | 179.6 | 177.6 | 0 | 110.7 | V107 V111 F137 P139 E140 M158 | V107-K142 HydrophobicContact CG2-CG 4.25Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.47Å; F137-K142 HydrophobicContact CE2-CG 4.12Å; F137-K142 HydrophobicContact CZ-CD 4.32Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; P139-K142 WeakPolarHBondContact O-CB 3.38Å; P139-K142 PolarHBondContact O-N 3.23Å; E140-K142 VanDerWaalsContact C-N 3.25Å; E140-K142 PolarHBondContact O-N 2.76Å; K142-M158 HydrophobicContact CB-CB 4.05Å; K142-M158 HydrophobicContact CB-CG 3.78Å; K142-M158 WeakPolarHBondContact O-CB 3.28Å; K142-M158 VanDerWaalsContact O-CG 3.27Å; K142-M158 WeakPolarHBondContact O-CG 3.5Å; K142-M158 PolarHBondContact O-N 3.48Å; K142-M158 VanDerWaalsContact O-N 3.13Å | ||
| 143 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129 | 174.9 | -64.2 | -87.4 | 0 | 0 | 0 | 111.2 | V111 V112 I114 L123 M125 C141 E145 Y155 S156 | V111-F143 CarbonylContact C-O 3.54Å; V111-F143 WeakPolarHBondContact CA-O 3.28Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 2.92Å; V112-F143 PolarHBondContact O-N 2.85Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.4Å; I114-F143 HydrophobicContact CG1-CD2 4.17Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.29Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å; M125-F143 HydrophobicContact CB-CE1 4.34Å; M125-F143 HydrophobicContact CB-CZ 4.47Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; C141-F143 WeakPolarHBondContact O-CD2 3.48Å; F143-E145 PolarHBondContact O-N 2.98Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; F143-S156 CarbonylContact C-O 3.57Å; F143-S156 VanDerWaalsContact CA-O 3.3Å; F143-S156 WeakPolarHBondContact CA-O 3.2Å |
| 144 | K | 98.3 | Very high | 96.7 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 116.6 | 166.2 | -176.3 | 177.1 | -179.9 | 175.7 | 0 | 108.8 | R110 Y155 S156 M158 | R110-K144 WeakPolarHBondContact O-CA 3.35Å; K144-Y155 WeakPolarHBondContact O-CA 3.47Å; K144-S156 PolarHBondContact N-O 2.85Å; K144-S156 PolarHBondContact O-N 2.86Å; K144-M158 HydrophobicContact CB-CG 4.46Å; K144-M158 HydrophobicContact CB-SD 3.73Å; K144-M158 HydrophobicContact CG-SD 4.47Å |
| 145 | E | 97.3 | Very high | 96.7 | Very high | 44 Ų | 44 | 52 Ų | 52 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 139.9 | 169.9 | 54.4 | 163.6 | -148.7 | 0 | 0 | 110.2 | R110 V112 F143 V153 T154 Y155 | R110-E145 HydrophobicContact CB-CG 4.08Å; R110-E145 WeakPolarHBondContact CD-OE1 3.5Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 2.74Å; R110-E145 VanDerWaalsContact O-CG 3.31Å; R110-E145 WeakPolarHBondContact O-CG 3.43Å; R110-E145 PolarHBondContact O-N 3.37Å; V112-E145 HydrophobicContact CG1-CG 4.22Å; F143-E145 PolarHBondContact O-N 2.98Å; E145-V153 HydrophobicContact CB-CG1 4.23Å; E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.09Å; E145-Y155 HydrophobicContact CB-CD1 4.03Å; E145-Y155 HydrophobicContact CB-CE1 3.91Å |
| 146 | S | 97.3 | Very high | 96.8 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 134.5 | 177.3 | -71.8 | 0 | 0 | 0 | 0 | 110.5 | T154 | S146-T154 PolarHBondContact N-O 2.87Å; S146-T154 PolarHBondContact O-N 3.23Å; S146-T154 PolarHBondContact O-OG1 3.5Å |
| 147 | V | 96.9 | Very high | 96.9 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 143.8 | 176.5 | -153.5 | 0 | 0 | 0 | 0 | 109.6 | Y152 | V147-Y152 CarbonylContact C-O 3.56Å; V147-Y152 VanDerWaalsContact CA-O 3.31Å; V147-Y152 WeakPolarHBondContact CA-O 2.73Å; V147-Y152 WeakPolarHBondContact CG1-O 3.21Å |
| 148 | F | 96 | Very high | 97 | Very high | 30 Ų | 30 | 45 Ų | 45 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.7 | 174.8 | -176.6 | -93.5 | 0 | 0 | 0 | 109 | N150 Y151 Y152 T154 K187 N188 H193 | F148-N150 PolarHBondContact O-N 2.87Å; F148-Y151 PolarHBondContact O-N 3.26Å; F148-Y151 VanDerWaalsContact O-N 3.15Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.03Å; F148-Y152 PolarHBondContact O-N 3.22Å; F148-T154 HydrophobicContact CB-CG2 4Å; F148-K187 HydrophobicContact CD2-CD 4.36Å; F148-K187 HydrophobicContact CD2-CG 4.13Å; F148-N188 HydrophobicContact CE2-CB 4.08Å; F148-N188 HydrophobicContact CZ-CB 4.03Å; F148-H193 AromaticContact CD1-CE1 3.21Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.32Å; F148-H193 AromaticContact CD1-ND1 3.9Å; F148-H193 AromaticContact CD1-NE2 3.39Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.19Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.47Å; F148-H193 AromaticContact CE1-NE2 3.49Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.48Å; F148-H193 AromaticContact CG-NE2 3.96Å |
| 149 | E | 93.4 | Very high | 96.9 | Very high | 133 Ų | 133 | 48.5 Ų | 48.5 | 62% | 0.621 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 31.8 | -176.6 | -68.9 | 174.2 | 177.1 | 0 | 0 | 113.8 | Y151 | E149-Y151 PolarHBondContact O-N 2.88Š|
| 150 | N | 91.7 | Very high | 97 | Very high | 163 Ų | 163 | 49.4 Ų | 49.4 | 87% | 0.872 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 4.5 | -178.7 | -66.6 | 70.4 | 0 | 0 | 0 | 116 | F148 | F148-N150 PolarHBondContact O-N 2.87Š|
| 151 | Y | 92.6 | Very high | 96.9 | Very high | 136 Ų | 136 | 52.6 Ų | 52.6 | 53% | 0.533 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -44.6 | -173.6 | -173.8 | -99.7 | 0 | 0 | 0 | 112.6 | F148 E149 | F148-Y151 PolarHBondContact O-N 3.26Å; F148-Y151 VanDerWaalsContact O-N 3.15Å; E149-Y151 PolarHBondContact O-N 2.88Å |
| 152 | Y | 97.7 | Very high | 96.8 | Very high | 40 Ų | 40 | 56 Ų | 56 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 152.3 | -177.6 | -61.6 | -73.4 | 0 | 0 | 0 | 111.8 | R76 V147 F148 H193 | R76-Y152 HydrophobicContact CB-CE1 3.97Å; R76-Y152 HydrophobicContact CG-CE1 3.97Å; V147-Y152 CarbonylContact C-O 3.56Å; V147-Y152 VanDerWaalsContact CA-O 3.31Å; V147-Y152 WeakPolarHBondContact CA-O 2.73Å; V147-Y152 WeakPolarHBondContact CG1-O 3.21Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.03Å; F148-Y152 PolarHBondContact O-N 3.22Å; Y152-H193 HydrophobicContact CD1-CB 3.67Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.37Å; Y152-H193 WeakPolarHBondContact CD2-ND1 3.35Å; Y152-H193 HydrophobicContact CE1-CB 4.3Å; Y152-H193 AromaticContact CE2-ND1 3.81Å; Y152-H193 HydrophobicContact CG-CB 3.66Å; Y152-H193 AromaticContact CG-CG 3.84Å; Y152-H193 AromaticContact CG-ND1 3.63Å |
| 153 | V | 98.2 | Very high | 96.5 | Very high | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.6 | 169.5 | -175.6 | 0 | 0 | 0 | 0 | 109 | E145 Y155 F194 P196 | E145-V153 HydrophobicContact CB-CG1 4.23Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.07Å; V153-F194 PolarHBondContact N-O 3.32Å; V153-F194 PolarHBondContact O-N 3.28Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.92Å |
| 154 | T | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.9 | 175.1 | 61.1 | 0 | 0 | 0 | 0 | 108.7 | E145 S146 F148 K187 A192 | E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.09Å; S146-T154 PolarHBondContact N-O 2.87Å; S146-T154 PolarHBondContact O-N 3.23Å; S146-T154 PolarHBondContact O-OG1 3.5Å; F148-T154 HydrophobicContact CB-CG2 4Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; T154-A192 HydrophobicContact CG2-CB 4.36Å; T154-A192 WeakPolarHBondContact CG2-O 3.3Å |
| 155 | Y | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.1 | 177.4 | -59.4 | -76.8 | 0 | 0 | 0 | 108.9 | L73 L104 V112 I114 F143 K144 E145 V153 Y170 L171 F194 | L73-Y155 HydrophobicContact CD1-CE2 4.23Å; L73-Y155 HydrophobicContact CD2-CE2 4.05Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.25Å; L104-Y155 HydrophobicContact CD2-CE1 4.47Å; V112-Y155 HydrophobicContact CG2-CD1 3.85Å; V112-Y155 HydrophobicContact CG2-CE1 3.81Å; I114-Y155 HydrophobicContact CD1-CD1 4.12Å; I114-Y155 HydrophobicContact CD1-CD2 4.4Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.08Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; K144-Y155 WeakPolarHBondContact O-CA 3.47Å; E145-Y155 HydrophobicContact CB-CD1 4.03Å; E145-Y155 HydrophobicContact CB-CE1 3.91Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.07Å; Y155-Y170 CarbonylContact O-C 3.49Å; Y155-Y170 VanDerWaalsContact O-CA 3.31Å; Y155-Y170 WeakPolarHBondContact O-CA 3.5Å; Y155-L171 HydrophobicContact CD2-CD2 4.08Å; Y155-L171 PolarHBondContact O-N 3.38Å; Y155-F194 HydrophobicContact CD2-CD2 4.15Å; Y155-F194 HydrophobicContact CE2-CB 4.16Å; Y155-F194 HydrophobicContact CE2-CD2 4.46Å; Y155-F194 HydrophobicContact CE2-CG 4.44Å |
| 156 | S | 98.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.8 | 179.2 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | F143 K144 M158 W169 | F143-S156 CarbonylContact C-O 3.57Å; F143-S156 VanDerWaalsContact CA-O 3.3Å; F143-S156 WeakPolarHBondContact CA-O 3.2Å; K144-S156 PolarHBondContact N-O 2.85Å; K144-S156 PolarHBondContact O-N 2.86Å; S156-M158 PolarHBondContact O-N 3.02Å; S156-W169 CarbonylContact C-O 3.6Å; S156-W169 WeakPolarHBondContact CA-O 3.18Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å |
| 157 | S | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 135.1 | 171.3 | 179 | 0 | 0 | 0 | 0 | 110.3 | I159 Y160 R161 W169 | S157-I159 VanDerWaalsContact C-N 3.33Å; S157-I159 PolarHBondContact OG-N 3.47Å; S157-Y160 PolarHBondContact OG-N 3Å; S157-R161 PolarHBondContact O-NH2 3.28Å; S157-W169 PolarHBondContact N-O 3.13Å |
| 158 | M | 97.1 | Very high | 95.9 | Very high | 68 Ų | 68 | 70 Ų | 70 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -37.8 | 173.6 | -85.4 | -66.9 | -68.5 | 0 | 0 | 111.7 | V111 K142 K144 S156 R161 | V111-M158 HydrophobicContact CG1-CG 3.78Å; V111-M158 HydrophobicContact CG1-SD 4.12Å; V111-M158 HydrophobicContact CG2-CE 3.9Å; V111-M158 HydrophobicContact CG2-CG 4.42Å; V111-M158 HydrophobicContact CG2-SD 3.65Å; K142-M158 HydrophobicContact CB-CB 4.05Å; K142-M158 HydrophobicContact CB-CG 3.78Å; K142-M158 WeakPolarHBondContact O-CB 3.28Å; K142-M158 VanDerWaalsContact O-CG 3.27Å; K142-M158 WeakPolarHBondContact O-CG 3.5Å; K142-M158 PolarHBondContact O-N 3.48Å; K142-M158 VanDerWaalsContact O-N 3.13Å; K144-M158 HydrophobicContact CB-CG 4.46Å; K144-M158 HydrophobicContact CB-SD 3.73Å; K144-M158 HydrophobicContact CG-SD 4.47Å; S156-M158 PolarHBondContact O-N 3.02Å; M158-R161 PolarHBondContact O-NH2 3.11Å |
| 159 | I | 96.2 | Very high | 96 | Very high | 76 Ų | 76 | 69.8 Ų | 69.8 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -34.8 | -169.1 | 60.8 | 177.6 | 0 | 0 | 0 | 113.5 | E140 S157 | E140-I159 HydrophobicContact CG-CD1 3.81Å; S157-I159 VanDerWaalsContact C-N 3.33Å; S157-I159 PolarHBondContact OG-N 3.47Å |
| 160 | Y | 97.7 | Very high | 96.3 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 19% | 0.192 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.9 | -173.6 | -56.3 | -52.4 | 0 | 0 | 0 | 113.3 | M125 N126 S127 E140 S157 W169 | M125-Y160 WeakPolarHBondContact O-CD2 3.37Å; M125-Y160 WeakPolarHBondContact O-CE2 3.21Å; N126-Y160 VanDerWaalsContact C-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CE2 3.31Å; S127-Y160 VanDerWaalsContact CA-CZ 3.41Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 PolarHBondContact OE1-OH 2.98Å; S157-Y160 PolarHBondContact OG-N 3Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.4Å; Y160-W169 HydrophobicContact CG-CZ3 4.27Å |
| 161 | R | 97 | Very high | 96.6 | Very high | 86 Ų | 86 | 57 Ų | 57 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 159.3 | -175.9 | -52.9 | 178.3 | -174.1 | -75.8 | -18.9 | 109.1 | S157 M158 Q163 R167 | S157-R161 PolarHBondContact O-NH2 3.28Å; M158-R161 PolarHBondContact O-NH2 3.11Å; R161-Q163 PolarHBondContact O-N 3.01Å; R161-R167 WeakPolarHBondContact CA-O 3.43Å |
| 162 | Q | 95.9 | Very high | 96.9 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | trans | -64.7 | 120.9 | 170.5 | -167.5 | 71.3 | 51.5 | 0 | 0 | 110 | Q164 G166 R167 | Q162-Q164 PolarHBondContact O-N 3Å; Q162-G166 VanDerWaalsContact O-CA 3.32Å; Q162-G166 WeakPolarHBondContact O-CA 3.28Å; Q162-G166 PolarHBondContact O-N 3.01Å; Q162-R167 HydrophobicContact CB-CB 4.11Å; Q162-R167 PolarHBondContact N-O 2.97Å | ||
| 163 | Q | 92.1 | Very high | 96.9 | Very high | 180 Ų | 180 | 48.6 Ų | 48.6 | 84% | 0.841 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -44.7 | -173.4 | -64.1 | -61.6 | -22.3 | 0 | 0 | 113.6 | R161 | R161-Q163 PolarHBondContact O-N 3.01Š|
| 164 | Q | 93 | Very high | 96.9 | Very high | 191 Ų | 191 | 48.9 Ų | 48.9 | 89% | 0.893 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -44.6 | -177 | -67.1 | 177.1 | -13.5 | 0 | 0 | 113.3 | Q162 | Q162-Q164 PolarHBondContact O-N 3Š|
| 165 | S | 93.8 | Very high | 96.9 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -17.1 | -172.5 | 166.7 | 0 | 0 | 0 | 0 | 113.6 | R167 | S165-R167 PolarHBondContact O-N 2.9Š|
| 166 | G | 94.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 61.9 Ų | 61.9 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | trans | 70.1 | 2.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q162 G168 | Q162-G166 VanDerWaalsContact O-CA 3.32Å; Q162-G166 WeakPolarHBondContact O-CA 3.28Å; Q162-G166 PolarHBondContact O-N 3.01Å; G166-G168 PolarHBondContact O-N 3.37Å | ||
| 167 | R | 96.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 28% | 0.275 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 125.9 | -179.9 | -177.3 | 178.3 | 62.7 | 84 | -3.1 | 110.8 | R161 Q162 S165 N183 V185 | R161-R167 WeakPolarHBondContact CA-O 3.43Å; Q162-R167 HydrophobicContact CB-CB 4.11Å; Q162-R167 PolarHBondContact N-O 2.97Å; S165-R167 PolarHBondContact O-N 2.9Å; R167-N183 PolarHBondContact NH1-O 3.18Å; R167-N183 PolarHBondContact NH2-O 2.95Å; R167-V185 PolarHBondContact NH1-O 2.86Å |
| 168 | G | 97.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 155.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | G166 Y170 | G166-G168 PolarHBondContact O-N 3.37Å; G168-Y170 VanDerWaalsContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CD2 3.38Å; G168-Y170 WeakPolarHBondContact O-CE2 3.27Å |
| 169 | W | 98.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 67 Ų | 67 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137 | 168.8 | -65 | 0.3 | 0 | 0 | 0 | 109.2 | M125 S127 G129 S156 S157 Y160 G182 N183 | M125-W169 HydrophobicContact SD-CB 3.72Å; M125-W169 HydrophobicContact SD-CE3 4.22Å; S127-W169 WeakPolarHBondContact O-CH2 3.39Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.24Å; G129-W169 VanDerWaalsContact CA-CE3 3.47Å; G129-W169 VanDerWaalsContact N-CZ3 3.25Å; S156-W169 CarbonylContact C-O 3.6Å; S156-W169 WeakPolarHBondContact CA-O 3.18Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å; S157-W169 PolarHBondContact N-O 3.13Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.4Å; Y160-W169 HydrophobicContact CG-CZ3 4.27Å; W169-G182 CarbonylContact C-O 3.59Å; W169-G182 VanDerWaalsContact CA-O 3.23Å; W169-G182 WeakPolarHBondContact CA-O 3.42Å; W169-G182 WeakPolarHBondContact CB-O 3.35Å; W169-N183 HydrophobicContact CD2-CB 3.91Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.93Å |
| 170 | Y | 98.6 | Very high | 97 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144.6 | -166.4 | -66.4 | -93.7 | 0 | 0 | 0 | 111.7 | Y155 G168 G182 V185 K187 | Y155-Y170 CarbonylContact O-C 3.49Å; Y155-Y170 VanDerWaalsContact O-CA 3.31Å; Y155-Y170 WeakPolarHBondContact O-CA 3.5Å; G168-Y170 VanDerWaalsContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CD2 3.38Å; G168-Y170 WeakPolarHBondContact O-CE2 3.27Å; Y170-G182 PolarHBondContact N-O 3.06Å; Y170-G182 VanDerWaalsContact O-CA 3.28Å; Y170-G182 WeakPolarHBondContact O-CA 3.28Å; Y170-V185 WeakPolarHBondContact O-CB 3.14Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.94Å; Y170-K187 HydrophobicContact CE2-CB 3.93Å |
| 171 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -59.8 | 136.6 | 158.9 | 167.8 | 64.6 | 0 | 0 | 0 | 108.2 | L81 I114 L131 Y155 I179 F194 | L81-L171 HydrophobicContact CD1-CD1 4.48Å; L81-L171 HydrophobicContact CD2-CD2 4.12Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.24Å; L131-L171 HydrophobicContact CD2-CG 4.27Å; Y155-L171 HydrophobicContact CD2-CD2 4.08Å; Y155-L171 PolarHBondContact O-N 3.38Å; L171-I179 HydrophobicContact CD1-CD1 3.69Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.83Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.39Å | ||
| 172 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -170.6 | 157.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I179 M180 A191 | G172-I179 WeakPolarHBondContact O-CD1 3.34Å; G172-M180 PolarHBondContact O-N 2.86Å; G172-A191 CarbonylContact C-O 3.5Å; G172-A191 WeakPolarHBondContact CA-O 3.4Å | ||
| 173 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -113.8 | 149.3 | 175.9 | -61.3 | 178.7 | 0 | 0 | 0 | 110.2 | L81 E178 I179 A191 | L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.18Å; L81-L173 HydrophobicContact CD1-CG 4.47Å; L173-E178 CarbonylContact C-O 3.56Å; L173-E178 VanDerWaalsContact CA-O 3.27Å; L173-E178 WeakPolarHBondContact CA-O 3.5Å; L173-I179 HydrophobicContact CD2-CB 4.44Å; L173-I179 HydrophobicContact CD2-CD1 4.1Å; L173-A191 PolarHBondContact N-O 2.78Å; L173-A191 VanDerWaalsContact N-O 3.16Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.43Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å |
| 174 | N | 98 | Very high | 97.4 | Very high | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | trans | -78.2 | -167 | 171.1 | 68.4 | 7.2 | 0 | 0 | 0 | 111.2 | Q77 E176 G177 E178 M180 | Q77-N174 WeakPolarHBondContact CB-O 3.44Å; Q77-N174 VanDerWaalsContact CG-O 3.28Å; Q77-N174 WeakPolarHBondContact CG-O 2.96Å; Q77-N174 PolarHBondContact NE2-O 3.06Å; N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 2.95Å; N174-E176 WeakPolarHBondContact OD1-CA 3.3Å; N174-E176 WeakPolarHBondContact OD1-CB 3.32Å; N174-E176 PolarHBondContact OD1-N 2.8Å; N174-E176 PolarHBondContact OD1-OE2 2.89Å; N174-G177 PolarHBondContact OD1-N 2.92Å; N174-E178 PolarHBondContact N-O 3.34Å; N174-E178 PolarHBondContact ND2-OE2 3.48Å; N174-E178 PolarHBondContact OD1-N 3.15Å; N174-E178 PolarHBondContact OD1-O 2.89Å; N174-M180 HydrophobicContact CB-CG 3.91Å; N174-M180 HydrophobicContact CB-SD 3.95Å | ||
| 175 | K | 97.9 | Very high | 97.6 | Very high | 158 Ų | 158 | 48 Ų | 48 | 69% | 0.687 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -78.5 | -20.3 | 180 | -68.1 | 178.4 | 179.7 | 179.5 | 0 | 111.9 | Y79 G177 | Y79-K175 VanDerWaalsContact CE2-O 3.28Å; Y79-K175 WeakPolarHBondContact CE2-O 3.47Å; Y79-K175 PolarHBondContact OH-O 2.89Å; K175-G177 VanDerWaalsContact C-N 3.33Å |
| 176 | E | 97.9 | Very high | 97.8 | Very high | 117 Ų | 117 | 48.6 Ų | 48.6 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -86.8 | -8.3 | -178.3 | -60.6 | 65.4 | -143 | 0 | 0 | 111.6 | N174 E178 | N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 2.95Å; N174-E176 WeakPolarHBondContact OD1-CA 3.3Å; N174-E176 WeakPolarHBondContact OD1-CB 3.32Å; N174-E176 PolarHBondContact OD1-N 2.8Å; N174-E176 PolarHBondContact OD1-OE2 2.89Å; E176-E178 HydrophobicContact CB-CG 4.2Å |
| 177 | G | 97.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 90 | 7.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D90 G91 N174 K175 | D90-G177 CarbonylContact C-O 3.48Å; G91-G177 VanDerWaalsContact CA-O 3.31Å; G91-G177 WeakPolarHBondContact CA-O 3.27Å; G91-G177 PolarHBondContact N-O 2.8Å; N174-G177 PolarHBondContact OD1-N 2.92Å; K175-G177 VanDerWaalsContact C-N 3.33Å |
| 178 | E | 98.2 | Very high | 97.9 | Very high | 118 Ų | 118 | 51.5 Ų | 51.5 | 55% | 0.551 | 24% | 0.241 | S | C | * | . | B | Isolated β-bridge | trans | -89.4 | 150 | -177.8 | -48.3 | 169.8 | 139.3 | 0 | 0 | 111.5 | L173 N174 E176 M180 | L173-E178 CarbonylContact C-O 3.56Å; L173-E178 VanDerWaalsContact CA-O 3.27Å; L173-E178 WeakPolarHBondContact CA-O 3.5Å; N174-E178 PolarHBondContact N-O 3.34Å; N174-E178 PolarHBondContact ND2-OE2 3.48Å; N174-E178 PolarHBondContact OD1-N 3.15Å; N174-E178 PolarHBondContact OD1-O 2.89Å; E176-E178 HydrophobicContact CB-CG 4.2Å; E178-M180 PolarHBondContact O-N 3.02Å |
| 179 | I | 98.2 | Very high | 97.9 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 30% | 0.297 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -68.3 | 131.6 | 179.1 | -167.1 | 68.9 | 0 | 0 | 0 | 112 | I89 L131 L171 G172 L173 | I89-I179 HydrophobicContact CG2-CD1 4.03Å; I89-I179 HydrophobicContact CG2-CG1 4.36Å; I89-I179 WeakPolarHBondContact O-CB 3.49Å; I89-I179 WeakPolarHBondContact O-CG2 3.27Å; L131-I179 HydrophobicContact CB-CD1 4.4Å; L131-I179 HydrophobicContact CB-CG1 4.04Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.05Å; L131-I179 HydrophobicContact CD2-CD1 3.83Å; L131-I179 HydrophobicContact CD2-CG1 4.36Å; L131-I179 HydrophobicContact CG-CD1 4.36Å; L131-I179 HydrophobicContact CG-CG1 4.38Å; L171-I179 HydrophobicContact CD1-CD1 3.69Å; G172-I179 WeakPolarHBondContact O-CD1 3.34Å; L173-I179 HydrophobicContact CD2-CB 4.44Å; L173-I179 HydrophobicContact CD2-CD1 4.1Å |
| 180 | M | 98.3 | Very high | 97.9 | Very high | 52 Ų | 52 | 57.3 Ų | 57.3 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 147.1 | 178.6 | -66.6 | -177.7 | 75 | 0 | 0 | 111.9 | L131 G172 N174 E178 G182 H184 V185 A191 | L131-M180 VanDerWaalsContact CD1-O 3.24Å; L131-M180 WeakPolarHBondContact CD1-O 3.32Å; G172-M180 PolarHBondContact O-N 2.86Å; N174-M180 HydrophobicContact CB-CG 3.91Å; N174-M180 HydrophobicContact CB-SD 3.95Å; E178-M180 PolarHBondContact O-N 3.02Å; M180-G182 PolarHBondContact O-N 3.37Å; M180-H184 HydrophobicContact CE-CB 4.36Å; M180-V185 HydrophobicContact CB-CG2 3.5Å; M180-V185 VanDerWaalsContact CB-CG2 3.5Å; M180-V185 HydrophobicContact CG-CG2 4.43Å; M180-V185 HydrophobicContact SD-CG2 4.2Å; M180-A191 HydrophobicContact SD-CB 3.78Å |
| 181 | K | 98.1 | Very high | 97.9 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 22% | 0.222 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 130.1 | 168.6 | -157.8 | 179.1 | 175.6 | 160.5 | 0 | 110.5 | E128 G129 Y130 N183 H184 V185 | E128-K181 WeakPolarHBondContact O-CE 3.47Å; E128-K181 PolarHBondContact O-NZ 3.2Å; G129-K181 CarbonylContact O-C 3.45Å; G129-K181 WeakPolarHBondContact O-CG 3.48Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.09Å; Y130-K181 HydrophobicContact CE1-CD 3.86Å; Y130-K181 HydrophobicContact CE1-CG 4.05Å; Y130-K181 PolarHBondContact OH-NZ 3.29Å; K181-N183 VanDerWaalsContact C-N 3.25Å; K181-N183 WeakPolarHBondContact CB-OD1 3.37Å; K181-N183 WeakPolarHBondContact CD-OD1 3.23Å; K181-N183 WeakPolarHBondContact CG-OD1 3.47Å; K181-N183 PolarHBondContact O-N 2.82Å; K181-N183 VanDerWaalsContact O-N 3.14Å; K181-H184 WeakPolarHBondContact O-CA 3.48Å; K181-H184 WeakPolarHBondContact O-CB 3.31Å; K181-H184 PolarHBondContact O-N 3.09Å; K181-V185 PolarHBondContact O-N 3.36Å |
| 182 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G129 W169 Y170 M180 H184 V185 | G129-G182 PolarHBondContact O-N 3.27Å; W169-G182 CarbonylContact C-O 3.59Å; W169-G182 VanDerWaalsContact CA-O 3.23Å; W169-G182 WeakPolarHBondContact CA-O 3.42Å; W169-G182 WeakPolarHBondContact CB-O 3.35Å; Y170-G182 PolarHBondContact N-O 3.06Å; Y170-G182 VanDerWaalsContact O-CA 3.28Å; Y170-G182 WeakPolarHBondContact O-CA 3.28Å; M180-G182 PolarHBondContact O-N 3.37Å; G182-H184 VanDerWaalsContact C-N 3.31Å; G182-H184 PolarHBondContact O-N 3.46Å; G182-V185 PolarHBondContact O-N 3.34Å |
| 183 | N | 97.3 | Very high | 97.9 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.171 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.5 | 174.1 | 69.3 | -35.2 | 0 | 0 | 0 | 113.1 | R167 W169 K181 | R167-N183 PolarHBondContact NH1-O 3.18Å; R167-N183 PolarHBondContact NH2-O 2.95Å; W169-N183 HydrophobicContact CD2-CB 3.91Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.93Å; K181-N183 VanDerWaalsContact C-N 3.25Å; K181-N183 WeakPolarHBondContact CB-OD1 3.37Å; K181-N183 WeakPolarHBondContact CD-OD1 3.23Å; K181-N183 WeakPolarHBondContact CG-OD1 3.47Å; K181-N183 PolarHBondContact O-N 2.82Å; K181-N183 VanDerWaalsContact O-N 3.14Å |
| 184 | H | 97.7 | Very high | 97.9 | Very high | 119 Ų | 119 | 56.6 Ų | 56.6 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -20.5 | 177.3 | -62.8 | 177.1 | 0 | 0 | 0 | 112.6 | M180 K181 G182 | M180-H184 HydrophobicContact CE-CB 4.36Å; K181-H184 WeakPolarHBondContact O-CA 3.48Å; K181-H184 WeakPolarHBondContact O-CB 3.31Å; K181-H184 PolarHBondContact O-N 3.09Å; G182-H184 VanDerWaalsContact C-N 3.31Å; G182-H184 PolarHBondContact O-N 3.46Å |
| 185 | V | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -80.4 | 130 | 176.6 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | R167 Y170 M180 K181 G182 A191 A192 | R167-V185 PolarHBondContact NH1-O 2.86Å; Y170-V185 WeakPolarHBondContact O-CB 3.14Å; M180-V185 HydrophobicContact CB-CG2 3.5Å; M180-V185 VanDerWaalsContact CB-CG2 3.5Å; M180-V185 HydrophobicContact CG-CG2 4.43Å; M180-V185 HydrophobicContact SD-CG2 4.2Å; K181-V185 PolarHBondContact O-N 3.36Å; G182-V185 PolarHBondContact O-N 3.34Å; V185-A191 HydrophobicContact CG1-CB 4.39Å; V185-A192 HydrophobicContact CG1-CB 3.5Å; V185-A192 VanDerWaalsContact CG1-CB 3.5Å | ||
| 186 | K | 97.6 | Very high | 97.8 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 45% | 0.452 | 25% | 0.252 | S | S | . | . | trans | -112.8 | 138 | 179.6 | -63.9 | 179.7 | -178.5 | 178.6 | 0 | 110.2 | N188 K189 A192 | K186-N188 PolarHBondContact O-N 3.01Å; K186-N188 VanDerWaalsContact O-N 3.09Å; K186-K189 HydrophobicContact CB-CB 4.22Å; K186-K189 HydrophobicContact CB-CG 3.77Å; K186-K189 HydrophobicContact CD-CG 4.29Å; K186-K189 HydrophobicContact CG-CG 4.49Å; K186-K189 PolarHBondContact O-N 2.91Å; K186-A192 WeakPolarHBondContact O-CB 3.07Å | ||
| 187 | K | 97.1 | Very high | 97.8 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -35.7 | -178.7 | -164.8 | -170.2 | 177.9 | -169.6 | 0 | 114.1 | F148 T154 Y170 H193 | F148-K187 HydrophobicContact CD2-CD 4.36Å; F148-K187 HydrophobicContact CD2-CG 4.13Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.94Å; Y170-K187 HydrophobicContact CE2-CB 3.93Å; K187-H193 PolarHBondContact O-NE2 3.32Å |
| 188 | N | 96.2 | Very high | 97.7 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 7.4 | -177.1 | 67.5 | -20.5 | 0 | 0 | 0 | 113.8 | F148 K186 | F148-N188 HydrophobicContact CE2-CB 4.08Å; F148-N188 HydrophobicContact CZ-CB 4.03Å; K186-N188 PolarHBondContact O-N 3.01Å; K186-N188 VanDerWaalsContact O-N 3.09Å |
| 189 | K | 97.8 | Very high | 97.6 | Very high | 111 Ų | 111 | 54 Ų | 54 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -105.6 | 141.3 | 178.3 | -67.3 | -64.1 | -174.9 | -179 | 0 | 109.5 | K186 A191 A192 H193 | K186-K189 HydrophobicContact CB-CB 4.22Å; K186-K189 HydrophobicContact CB-CG 3.77Å; K186-K189 HydrophobicContact CD-CG 4.29Å; K186-K189 HydrophobicContact CG-CG 4.49Å; K186-K189 PolarHBondContact O-N 2.91Å; K189-A191 PolarHBondContact O-N 3.04Å; K189-A192 PolarHBondContact O-N 3.43Å; K189-H193 PolarHBondContact O-CD2 3.15Å; K189-H193 PolarHBondContact O-NE2 3.33Å |
| 190 | P | 97.8 | Very high | 97.5 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -49.5 | -32 | 179.4 | -33.4 | 39.1 | 0 | 0 | 0 | 115.3 | R76 A192 H193 | R76-P190 HydrophobicContact CG-CB 4.18Å; P190-A192 PolarHBondContact O-N 3.49Å; P190-A192 VanDerWaalsContact O-N 3.11Å; P190-H193 WeakPolarHBondContact O-CB 3.18Å; P190-H193 PolarHBondContact O-N 2.77Å |
| 191 | A | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -51.5 | -32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G172 L173 M180 V185 K189 | G172-A191 CarbonylContact C-O 3.5Å; G172-A191 WeakPolarHBondContact CA-O 3.4Å; L173-A191 PolarHBondContact N-O 2.78Å; L173-A191 VanDerWaalsContact N-O 3.16Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.43Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å; M180-A191 HydrophobicContact SD-CB 3.78Å; V185-A191 HydrophobicContact CG1-CB 4.39Å; K189-A191 PolarHBondContact O-N 3.04Å |
| 192 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -88 | -6.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | T154 V185 K186 K189 P190 F194 | T154-A192 HydrophobicContact CG2-CB 4.36Å; T154-A192 WeakPolarHBondContact CG2-O 3.3Å; V185-A192 HydrophobicContact CG1-CB 3.5Å; V185-A192 VanDerWaalsContact CG1-CB 3.5Å; K186-A192 WeakPolarHBondContact O-CB 3.07Å; K189-A192 PolarHBondContact O-N 3.43Å; P190-A192 PolarHBondContact O-N 3.49Å; P190-A192 VanDerWaalsContact O-N 3.11Å; A192-F194 WeakPolarHBondContact O-CD2 3.38Å |
| 193 | H | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -97.8 | 119.4 | -165.2 | -65.7 | -168.4 | 0 | 0 | 0 | 110.6 | R76 F148 Y152 K187 K189 P190 | R76-H193 HydrophobicContact CB-CB 3.77Å; R76-H193 PolarHBondContact N-O 2.8Å; R76-H193 PolarHBondContact NH1-CE1 3.27Å; R76-H193 PolarHBondContact NH1-ND1 2.89Å; F148-H193 AromaticContact CD1-CE1 3.21Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.32Å; F148-H193 AromaticContact CD1-ND1 3.9Å; F148-H193 AromaticContact CD1-NE2 3.39Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.19Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.47Å; F148-H193 AromaticContact CE1-NE2 3.49Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.48Å; F148-H193 AromaticContact CG-NE2 3.96Å; Y152-H193 HydrophobicContact CD1-CB 3.67Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.37Å; Y152-H193 WeakPolarHBondContact CD2-ND1 3.35Å; Y152-H193 HydrophobicContact CE1-CB 4.3Å; Y152-H193 AromaticContact CE2-ND1 3.81Å; Y152-H193 HydrophobicContact CG-CB 3.66Å; Y152-H193 AromaticContact CG-CG 3.84Å; Y152-H193 AromaticContact CG-ND1 3.63Å; K187-H193 PolarHBondContact O-NE2 3.32Å; K189-H193 PolarHBondContact O-CD2 3.15Å; K189-H193 PolarHBondContact O-NE2 3.33Å; P190-H193 WeakPolarHBondContact O-CB 3.18Å; P190-H193 PolarHBondContact O-N 2.77Å | ||
| 194 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.1 | 175.5 | -63 | -92.1 | 0 | 0 | 0 | 110.8 | L73 Y74 V153 Y155 L171 A192 | L73-F194 HydrophobicContact CB-CD1 4.2Å; Y74-F194 CarbonylContact O-C 3.59Å; Y74-F194 WeakPolarHBondContact O-CA 3.37Å; V153-F194 PolarHBondContact N-O 3.32Å; V153-F194 PolarHBondContact O-N 3.28Å; Y155-F194 HydrophobicContact CD2-CD2 4.15Å; Y155-F194 HydrophobicContact CE2-CB 4.16Å; Y155-F194 HydrophobicContact CE2-CD2 4.46Å; Y155-F194 HydrophobicContact CE2-CG 4.44Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.83Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.39Å; A192-F194 WeakPolarHBondContact O-CD2 3.38Å |
| 195 | L | 97.5 | Very high | 96.5 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.5 | 169.2 | -176.3 | 64.3 | 0 | 0 | 0 | 107.8 | Y74 K197 | Y74-L195 HydrophobicContact CD1-CB 4.48Å; Y74-L195 PolarHBondContact N-O 3.49Å; Y74-L195 PolarHBondContact O-N 3.09Å; L195-K197 PolarHBondContact O-N 3.48Å |
| 196 | P | 97 | Very high | 96 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 20% | 0.201 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 129.8 | 170.8 | -20.9 | 33.3 | 0 | 0 | 0 | 109.7 | K72 L73 V153 P198 | K72-P196 WeakPolarHBondContact O-CA 3.38Å; L73-P196 HydrophobicContact CD2-CB 4.21Å; L73-P196 HydrophobicContact CD2-CG 4.19Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.92Å; P196-P198 WeakPolarHBondContact O-CD 3.31Å |
| 197 | K | 96.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 86.6 | 169.4 | -65.6 | -178.8 | 178.6 | 176.6 | 0 | 107.9 | T71 K72 H80 E95 L195 | T71-K197 WeakPolarHBondContact CA-O 3.37Å; T71-K197 PolarHBondContact OG1-N 3.45Å; T71-K197 PolarHBondContact OG1-O 3.4Å; K72-K197 HydrophobicContact CB-CB 4.33Å; K72-K197 PolarHBondContact N-O 3.06Å; K72-K197 PolarHBondContact O-N 3.43Å; H80-K197 PolarHBondContact CE1-NZ 2.95Å; H80-K197 PolarHBondContact NE2-NZ 2.72Å; H80-K197 VanDerWaalsContact NE2-NZ 3.18Å; E95-K197 IonicContact OE1-NZ 3.77Å; L195-K197 PolarHBondContact O-N 3.48Å |
| 198 | P | 96.2 | Very high | 95.1 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 137 | -176.5 | -20.5 | 33.7 | 0 | 0 | 0 | 111.3 | I69 P196 | I69-P198 HydrophobicContact CD1-CB 4.24Å; I69-P198 HydrophobicContact CD1-CG 4.19Å; P196-P198 WeakPolarHBondContact O-CD 3.31Å |
| 199 | L | 96 | Very high | 94.8 | Very high | 122 Ų | 122 | 63.5 Ų | 63.5 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -52.3 | 176.5 | -175.9 | 64.6 | 0 | 0 | 0 | 111.2 | V70 L101 | V70-L199 HydrophobicContact CG1-CD2 4.43Å; V70-L199 WeakPolarHBondContact O-CB 3.05Å; V70-L199 PolarHBondContact O-N 3.43Å; L101-L199 HydrophobicContact CD2-CD2 4.16Å |
| 200 | K | 96.1 | Very high | 94 | Very high | 132 Ų | 132 | 60.5 Ų | 60.5 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 155.8 | 178.4 | 61.9 | -178.2 | 178 | -174.8 | 0 | 111.7 | I69 V70 | I69-K200 CarbonylContact C-O 3.57Å; I69-K200 WeakPolarHBondContact CA-O 3.38Å; V70-K200 HydrophobicContact CB-CG 3.99Å; V70-K200 HydrophobicContact CG2-CG 4.06Å; V70-K200 PolarHBondContact N-O 2.69Å; V70-K200 PolarHBondContact O-N 2.84Å |
| 201 | V | 96.4 | Very high | 93 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.8 | 169.2 | 177.4 | 0 | 0 | 0 | 0 | 109 | K67 I69 | K67-V201 HydrophobicContact CD-CG1 4.27Å; K67-V201 VanDerWaalsContact CE-CG1 3.48Å; K67-V201 HydrophobicContact CG-CG1 3.75Å; I69-V201 HydrophobicContact CG2-CG2 4.27Å |
| 202 | A | 94.7 | Very high | 91.7 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 20% | 0.198 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G68 V70 Y204 | G68-A202 CarbonylContact C-O 3.57Å; G68-A202 PolarHBondContact N-O 3.41Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å; V70-A202 HydrophobicContact CG2-CB 4.33Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.82Å; A202-Y204 WeakPolarHBondContact O-CD2 3.24Å; A202-Y204 WeakPolarHBondContact O-CE2 3.49Å |
| 203 | M | 93.4 | Very high | 90.1 | Very high | 105 Ų | 105 | 70.3 Ų | 70.3 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.3 | 173.7 | -61.3 | -57.3 | -75.3 | 0 | 0 | 108.7 | Q65 L66 K67 | Q65-M203 HydrophobicContact CB-CE 3.64Å; L66-M203 WeakPolarHBondContact O-CA 3.32Å; K67-M203 HydrophobicContact CB-CE 4.43Å; K67-M203 HydrophobicContact CB-SD 3.83Å; K67-M203 HydrophobicContact CG-SD 3.95Å |
| 204 | Y | 92.2 | Very high | 88.1 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 12% | 0.122 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.2 | 179.7 | -59.6 | -79.5 | 0 | 0 | 0 | 109.9 | Q65 L66 I69 V70 N103 I105 A202 | Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.13Å; L66-Y204 PolarHBondContact N-O 3.28Å; L66-Y204 PolarHBondContact O-N 3.29Å; I69-Y204 PolarHBondContact O-OH 3.4Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.39Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.19Å; N103-Y204 PolarHBondContact OD1-OH 3.45Å; I105-Y204 HydrophobicContact CD1-CD1 4.11Å; I105-Y204 HydrophobicContact CD1-CG 4.15Å; I105-Y204 HydrophobicContact CG1-CD1 4.19Å; I105-Y204 HydrophobicContact CG1-CD2 3.95Å; I105-Y204 HydrophobicContact CG1-CE1 4.47Å; I105-Y204 HydrophobicContact CG1-CE2 4.22Å; I105-Y204 HydrophobicContact CG1-CG 3.92Å; I105-Y204 HydrophobicContact CG2-CD2 4.44Å; I105-Y204 HydrophobicContact CG2-CG 4.42Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.82Å; A202-Y204 WeakPolarHBondContact O-CD2 3.24Å; A202-Y204 WeakPolarHBondContact O-CE2 3.49Å |
| 205 | K | 91.2 | Very high | 86.1 | Confident | 128 Ų | 128 | 80 Ų | 80 | 56% | 0.557 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 141.2 | 162.5 | 179.8 | 173 | 177.8 | 153.7 | 0 | 108.6 | E63 P207 | E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.12Å; E63-K205 VanDerWaalsContact OE2-CD 3.32Å; E63-K205 WeakPolarHBondContact OE2-CD 3.21Å; E63-K205 WeakPolarHBondContact OE2-CE 3.37Å; E63-K205 IonicContact OE2-NZ 2.78Å; E63-K205 PolarHBondContact OE2-NZ 3.25Å; K205-P207 WeakPolarHBondContact O-CD 3.4Å |
| 206 | E | 88.8 | Confident | 83.8 | Confident | 103 Ų | 103 | 82.8 Ų | 82.8 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 121.8 | 172.7 | -175.4 | 165.9 | -167 | 0 | 0 | 110.7 | L66 | L66-E206 HydrophobicContact CD1-CB 3.96Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.3Å |
| 207 | P | 88.9 | Confident | 81.5 | Confident | 16 Ų | 16 | 91.5 Ų | 91.5 | 10% | 0.104 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 136.5 | 179.5 | -23.4 | 34.3 | 0 | 0 | 0 | 111.8 | I105 F137 K205 L209 | I105-P207 HydrophobicContact CD1-CG 4.45Å; I105-P207 HydrophobicContact CG2-CG 4.44Å; F137-P207 HydrophobicContact CB-CB 3.7Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.27Å; F137-P207 HydrophobicContact CE1-CB 4.24Å; F137-P207 HydrophobicContact CG-CB 3.59Å; F137-P207 HydrophobicContact CG-CG 4.47Å; K205-P207 WeakPolarHBondContact O-CD 3.4Å; P207-L209 PolarHBondContact O-N 3.26Å |
| 208 | S | 86.6 | Confident | 79.1 | Confident | 81 Ų | 81 | 93 Ų | 93 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 116.1 | 175.8 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | H210 | S208-H210 PolarHBondContact O-N 3.19Å; S208-H210 PolarHBondContact O-ND1 3.13Å; S208-H210 PolarHBondContact OG-CE1 3.11Å; S208-H210 VanDerWaalsContact OG-CE1 3.32Å |
| 209 | L | 88.9 | Confident | 76.6 | Confident | 88 Ų | 88 | 92.5 Ų | 92.5 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 117.8 | 177.8 | -172.1 | 66.3 | 0 | 0 | 0 | 110.4 | F137 P139 P207 | F137-L209 HydrophobicContact CD1-CB 4.4Å; F137-L209 HydrophobicContact CD1-CD1 3.96Å; F137-L209 HydrophobicContact CE1-CD1 3.89Å; F137-L209 CarbonylContact O-C 3.59Å; F137-L209 WeakPolarHBondContact O-CA 3.31Å; P139-L209 HydrophobicContact CG-CD1 4.14Å; P207-L209 PolarHBondContact O-N 3.26Å |
| 210 | H | 81.8 | Confident | 74.1 | Confident | 49 Ų | 49 | 92.1 Ų | 92.1 | 23% | 0.227 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 140.9 | 172.6 | -68.2 | 66.2 | 0 | 0 | 0 | 109.9 | H136 F137 P139 S208 F215 | H136-H210 HydrophobicContact CB-CB 4.26Å; H136-H210 AromaticContact CE1-NE2 3.97Å; H136-H210 AromaticContact ND1-CD2 3.56Å; H136-H210 AromaticContact ND1-CE1 3.57Å; H136-H210 AromaticContact ND1-CG 3.97Å; H136-H210 AromaticContact ND1-ND1 3.98Å; H136-H210 AromaticContact ND1-NE2 3.26Å; H136-H210 PolarHBondContact ND1-NE2 3.14Å; F137-H210 PolarHBondContact O-N 3.38Å; P139-H210 WeakPolarHBondContact CD-O 3.31Å; S208-H210 PolarHBondContact O-N 3.19Å; S208-H210 PolarHBondContact O-ND1 3.13Å; S208-H210 PolarHBondContact OG-CE1 3.11Å; S208-H210 VanDerWaalsContact OG-CE1 3.32Å; H210-F215 HydrophobicContact CB-CE2 4.23Å; H210-F215 HydrophobicContact CB-CZ 4.26Å |
| 211 | D | 76.1 | Confident | 71.4 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 142.6 | 175.5 | -75.6 | -34.9 | 0 | 0 | 0 | 110.6 | T213 E214 | D211-T213 PolarHBondContact O-N 3.45Å; D211-T213 VanDerWaalsContact O-N 3.15Å; D211-E214 PolarHBondContact O-N 3.33Å |
| 212 | L | 71 | Confident | 68.9 | Low | 59 Ų | 59 | 91.6 Ų | 91.6 | 31% | 0.309 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -61.5 | -24.9 | -179.4 | -64.4 | 172.7 | 0 | 0 | 0 | 112.5 | T138 E140 E214 F215 | T138-L212 HydrophobicContact CG2-CD2 4.06Å; E140-L212 HydrophobicContact CB-CD2 4.5Å; E140-L212 HydrophobicContact CG-CD1 4.11Å; E140-L212 HydrophobicContact CG-CD2 3.92Å; L212-E214 VanDerWaalsContact C-N 3.28Å; L212-E214 PolarHBondContact O-N 3.49Å; L212-F215 PolarHBondContact O-N 3.38Å |
| 213 | T | 65.5 | Low | 66.6 | Low | 100 Ų | 100 | 95.5 Ų | 95.5 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -71.4 | -17.9 | -176.3 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | D211 | D211-T213 PolarHBondContact O-N 3.45Å; D211-T213 VanDerWaalsContact O-N 3.15Å |
| 214 | E | 57.6 | Low | 64.3 | Low | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -75.4 | -26 | 178.1 | -66.4 | -169.7 | 161.7 | 0 | 0 | 112.3 | D211 L212 S216 R217 | D211-E214 PolarHBondContact O-N 3.33Å; L212-E214 VanDerWaalsContact C-N 3.28Å; L212-E214 PolarHBondContact O-N 3.49Å; E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.12Å; E214-R217 PolarHBondContact O-N 3.36Å |
| 215 | F | 55.9 | Low | 62.1 | Low | 86 Ų | 86 | 105.2 Ų | 105.2 | 38% | 0.377 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -18.4 | -178.8 | -63.1 | -72 | 0 | 0 | 0 | 114 | H136 T138 H210 L212 R217 | H136-F215 HydrophobicContact CB-CE1 4.15Å; H136-F215 HydrophobicContact CB-CE2 4.48Å; H136-F215 HydrophobicContact CB-CZ 3.51Å; H136-F215 AromaticContact CD2-CE1 3.38Å; H136-F215 WeakPolarHBondContact CD2-CE1 3.47Å; H136-F215 AromaticContact CD2-CZ 3.65Å; H136-F215 AromaticContact CG-CE1 3.9Å; H136-F215 AromaticContact CG-CZ 3.64Å; T138-F215 HydrophobicContact CG2-CD2 4.37Å; T138-F215 HydrophobicContact CG2-CE2 3.56Å; T138-F215 HydrophobicContact CG2-CZ 4.15Å; H210-F215 HydrophobicContact CB-CE2 4.23Å; H210-F215 HydrophobicContact CB-CZ 4.26Å; L212-F215 PolarHBondContact O-N 3.38Å; F215-R217 VanDerWaalsContact C-N 3.27Å; F215-R217 PolarHBondContact O-N 3.41Å |
| 216 | S | 48.7 | Very low | 60 | Low | 109 Ų | 109 | 104.5 Ų | 104.5 | 76% | 0.762 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -9.4 | 177.2 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | E214 | E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.12Å |
| 217 | R | 49.9 | Very low | 58.1 | Low | 215 Ų | 215 | 111 Ų | 111 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -109.5 | -2.3 | -172.3 | -58.3 | -175.2 | 91.6 | 173.7 | 6.1 | 114.5 | E214 F215 G219 | E214-R217 PolarHBondContact O-N 3.36Å; F215-R217 VanDerWaalsContact C-N 3.27Å; F215-R217 PolarHBondContact O-N 3.41Å; R217-G219 VanDerWaalsContact C-N 3.31Å; R217-G219 PolarHBondContact O-N 3.48Å; R217-G219 VanDerWaalsContact O-N 3.1Å |
| 218 | S | 44.8 | Very low | 56.1 | Low | 110 Ų | 110 | 115 Ų | 115 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 62.6 | -178.9 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 219 | G | 44.5 | Very low | 54.3 | Low | 79 Ų | 79 | 117.2 Ų | 117.2 | 81% | 0.814 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.7 | 8.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R217 | R217-G219 VanDerWaalsContact C-N 3.31Å; R217-G219 PolarHBondContact O-N 3.48Å; R217-G219 VanDerWaalsContact O-N 3.1Å |
| 220 | S | 42.6 | Very low | 52.5 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -135.4 | 120.5 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 221 | G | 40.6 | Very low | 50.9 | Low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | trans | -59.4 | 153.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 222 | T | 44.2 | Very low | 49.8 | Very low | 138 Ų | 138 | 120.8 Ų | 120.8 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | trans | -65.3 | 173 | 156.2 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 223 | P | 45.5 | Very low | 49.3 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | cis | -136.2 | 178.5 | 17.6 | 34 | -9.4 | 0 | 0 | 0 | 112.3 | ||||
| 224 | T | 45.8 | Very low | 48.6 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | 172.2 | 154.6 | 68.6 | -13.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 225 | K | 45.3 | Very low | 48 | Very low | 203 Ų | 203 | 126.1 Ų | 126.1 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -74.9 | 143.9 | -179.3 | -71 | 167.5 | 164.6 | 174.8 | 0 | 113.9 | ||||
| 226 | S | 46.7 | Very low | 47.5 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 172.9 | 93.1 | 136.1 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 227 | R | 48.5 | Very low | 47.5 | Very low | 240 Ų | 240 | 130.2 Ų | 130.2 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | 38 | 102.6 | 98.1 | -105.9 | -175.5 | 172 | -170.8 | -4.3 | 116.7 | |||||
| 228 | S | 47.1 | Very low | 47.5 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | 62.6 | 123.8 | 130.8 | 58.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 229 | V | 49 | Very low | 47.9 | Very low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | 166.5 | 128.2 | 104.6 | 160.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 230 | S | 51.9 | Low | 48.1 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 47.2 | 127.2 | 152.3 | 71.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 231 | G | 48.3 | Very low | 48.7 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | 115.7 | 127.9 | 103.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 232 | V | 53.3 | Low | 49.2 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 78.7 | 97.2 | 146 | -165.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 233 | L | 59.5 | Low | 49.5 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | 75.1 | 134.2 | 84.2 | -71.7 | 168 | 0 | 0 | 0 | 115.8 | |||||
| 234 | N | 51 | Low | 50.2 | Low | 163 Ų | 163 | 135 Ų | 135 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 70.3 | 137.5 | 164.2 | -68.9 | -6.1 | 0 | 0 | 0 | 116.9 | ||||
| 235 | G | 45.3 | Very low | 50.7 | Low | 75 Ų | 75 | 138.8 Ų | 138.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | 151 | 137.3 | 7.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 236 | G | 45.2 | Very low | 51 | Low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 91 | 116.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 237 | K | 48.9 | Very low | 51.3 | Low | 208 Ų | 208 | 136.7 Ų | 136.7 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | 38.6 | 144.8 | 123.4 | -67.8 | 179 | 175.3 | -179.1 | 0 | 118.8 | |||||
| 238 | S | 49 | Very low | 51.4 | Low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | cis | 174.7 | 157.6 | -0 | 54.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 239 | M | 52.7 | Low | 51.7 | Low | 166 Ų | 166 | 132.9 Ų | 132.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 70.7 | 107.5 | 152.8 | -68.3 | -168 | 73.8 | 0 | 0 | 118 | ||||
| 240 | S | 50.7 | Low | 51.8 | Low | 81 Ų | 81 | 133.3 Ų | 133.3 | 57% | 0.566 | 80% | 0.804 | S | S | * | * | 81.1 | 115.1 | 87.5 | 74.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 241 | H | 53.9 | Low | 51.8 | Low | 166 Ų | 166 | 134.7 Ų | 134.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 163 | 146.7 | 116.8 | -104.4 | -83 | 0 | 0 | 0 | 113.4 | |||||
| 242 | N | 52.3 | Low | 52.1 | Low | 128 Ų | 128 | 139.6 Ų | 139.6 | 68% | 0.684 | 81% | 0.814 | S | S | * | * | trans | 94.1 | 104.6 | 148 | -64.8 | -1.7 | 0 | 0 | 0 | 121.2 | ||||
| 243 | E | 49.8 | Very low | 52 | Low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | 23.6 | 127 | 126.3 | -81.1 | 177.2 | 102.4 | 0 | 0 | 119.8 | |||||
| 244 | S | 60.9 | Low | 51.3 | Low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | -169.6 | 114.9 | 118.1 | 5.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 245 | T | 56.3 | Low | 51.4 | Low | 217 Ų | 217 | 137 Ų | 137 | 100% | 1.331 | 81% | 0.811 | S | S | * | * | trans | 149.8 | 0 | 141.5 | -54.4 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 245 of 245 residues in 123.2 ms
(Link to these results)