| 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 | 49.8 | Very low | 66.5 | Low | 221 Ų | 221 | 105.2 Ų | 105.2 | 100% | 1.089 | 62% | 0.618 | S | S | * | * | 0 | -40.1 | 0 | -82.7 | -179.2 | -110.8 | 0 | 0 | 114.3 | A3 A4 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.3Å; M1-A4 PolarHBondContact O-N 2.88Å | |||
| 2 | A | 54.1 | Low | 67.4 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 69% | 0.686 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.8 | -29.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | A4 I5 | A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.08Å; A2-I5 PolarHBondContact O-N 3.32Å |
| 3 | A | 57.4 | Low | 68.4 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -31.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 I5 S7 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.3Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 2.95Å; A3-S7 PolarHBondContact O-N 3.43Å; A3-S7 PolarHBondContact O-OG 3.27Å |
| 4 | A | 63.7 | Low | 69.1 | Low | 74 Ų | 74 | 114.1 Ų | 114.1 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68 | -34.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 A2 S8 | M1-A4 PolarHBondContact O-N 2.88Å; A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.08Å; A4-S8 PolarHBondContact O-N 3.36Å |
| 5 | I | 63.3 | Low | 69.7 | Low | 113 Ų | 113 | 115 Ų | 115 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.2 | -44.9 | -179.4 | -57.7 | 177.2 | 0 | 0 | 0 | 110.2 | A2 A3 S7 S8 L9 | A2-I5 PolarHBondContact O-N 3.32Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 2.95Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.2Å; I5-S8 PolarHBondContact O-N 2.79Å; I5-S8 VanDerWaalsContact O-N 3.13Å; I5-S8 PolarHBondContact O-OG 3.41Å; I5-L9 PolarHBondContact O-N 2.99Å |
| 6 | A | 65 | Low | 69.7 | Low | 58 Ų | 58 | 111.7 Ų | 111.7 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S8 | A6-S8 VanDerWaalsContact C-N 3.34Å |
| 7 | S | 69.7 | Low | 69.6 | Low | 74 Ų | 74 | 116.7 Ų | 116.7 | 52% | 0.517 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.1 | -32.7 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | A3 I5 | A3-S7 PolarHBondContact O-N 3.43Å; A3-S7 PolarHBondContact O-OG 3.27Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.2Å |
| 8 | S | 79.2 | Confident | 69.3 | Low | 55 Ų | 55 | 117.4 Ų | 117.4 | 39% | 0.385 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.2 | -41.3 | 179.8 | 80.1 | 0 | 0 | 0 | 0 | 112.8 | A4 I5 A6 I10 R11 Q12 | A4-S8 PolarHBondContact O-N 3.36Å; I5-S8 PolarHBondContact O-N 2.79Å; I5-S8 VanDerWaalsContact O-N 3.13Å; I5-S8 PolarHBondContact O-OG 3.41Å; A6-S8 VanDerWaalsContact C-N 3.34Å; S8-I10 VanDerWaalsContact C-N 3.32Å; S8-I10 PolarHBondContact O-N 3.02Å; S8-R11 PolarHBondContact O-N 3.36Å; S8-Q12 PolarHBondContact O-N 3.37Å |
| 9 | L | 73.2 | Confident | 69 | Low | 107 Ų | 107 | 115.9 Ų | 115.9 | 56% | 0.56 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -33.3 | -178.5 | -74.3 | 169.5 | 0 | 0 | 0 | 112.7 | I5 K13 | I5-L9 PolarHBondContact O-N 2.99Å; L9-K13 PolarHBondContact O-N 3.37Å |
| 10 | I | 76.6 | Confident | 68.4 | Low | 108 Ų | 108 | 116.4 Ų | 116.4 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -37.2 | 177.5 | -63.6 | 170.4 | 0 | 0 | 0 | 110.9 | S8 R14 | S8-I10 VanDerWaalsContact C-N 3.32Å; S8-I10 PolarHBondContact O-N 3.02Å; I10-R14 PolarHBondContact O-N 3.34Å |
| 11 | R | 79.1 | Confident | 67.6 | Low | 187 Ų | 187 | 114.9 Ų | 114.9 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67 | -46.1 | 177.2 | -74.9 | -175.3 | 176.7 | -164.6 | -1 | 111.5 | S8 K13 R14 Q15 | S8-R11 PolarHBondContact O-N 3.36Å; R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.33Å; R11-R14 PolarHBondContact O-N 3.22Å; R11-Q15 WeakPolarHBondContact O-CG 3.48Å; R11-Q15 PolarHBondContact O-N 3.36Å |
| 12 | Q | 78.4 | Confident | 67.3 | Low | 120 Ų | 120 | 110.6 Ų | 110.6 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.7 | -41.7 | 178.6 | -74 | -177.4 | -18.5 | 0 | 0 | 112.2 | S8 R14 Q15 A16 | S8-Q12 PolarHBondContact O-N 3.37Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.38Å; Q12-Q15 PolarHBondContact O-N 3.23Å; Q12-A16 WeakPolarHBondContact O-CB 3.43Å; Q12-A16 PolarHBondContact O-N 3.38Å |
| 13 | K | 80.3 | Confident | 66.7 | Low | 148 Ų | 148 | 117.3 Ų | 117.3 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.3 | -29.2 | 179.9 | -167.3 | 170.5 | -177.2 | 172.6 | 0 | 113.4 | L9 R11 | L9-K13 PolarHBondContact O-N 3.37Å; R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.33Å |
| 14 | R | 77.8 | Confident | 65.6 | Low | 172 Ų | 172 | 119.4 Ų | 119.4 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.8 | -45.9 | 173.1 | -74.3 | -176.1 | 177.7 | -169.3 | -1.6 | 111.2 | I10 R11 Q12 A16 R17 E18 | I10-R14 PolarHBondContact O-N 3.34Å; R11-R14 PolarHBondContact O-N 3.22Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.38Å; R14-A16 VanDerWaalsContact C-N 3.3Å; R14-A16 PolarHBondContact O-N 3.2Å; R14-R17 WeakPolarHBondContact O-CB 3.49Å; R14-R17 PolarHBondContact O-N 3.21Å; R14-E18 PolarHBondContact O-N 3.13Å; R14-E18 VanDerWaalsContact O-N 3.12Å |
| 15 | Q | 78.1 | Confident | 64.5 | Low | 128 Ų | 128 | 121 Ų | 121 | 60% | 0.598 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60 | -38.8 | 177.5 | -72 | 176.8 | -27.1 | 0 | 0 | 112.5 | R11 Q12 R17 E18 S19 | R11-Q15 WeakPolarHBondContact O-CG 3.48Å; R11-Q15 PolarHBondContact O-N 3.36Å; Q12-Q15 PolarHBondContact O-N 3.23Å; Q15-R17 VanDerWaalsContact C-N 3.25Å; Q15-R17 PolarHBondContact O-N 3.46Å; Q15-E18 PolarHBondContact O-N 3.33Å; Q15-S19 WeakPolarHBondContact O-CB 3.49Å; Q15-S19 PolarHBondContact O-N 3.22Å; Q15-S19 PolarHBondContact O-OG 3.37Å |
| 16 | A | 69.4 | Low | 63.1 | Low | 62 Ų | 62 | 120 Ų | 120 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.6 | -23.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q12 R14 S19 | Q12-A16 WeakPolarHBondContact O-CB 3.43Å; Q12-A16 PolarHBondContact O-N 3.38Å; R14-A16 VanDerWaalsContact C-N 3.3Å; R14-A16 PolarHBondContact O-N 3.2Å; A16-S19 PolarHBondContact O-OG 3.19Å |
| 17 | R | 68.8 | Low | 61.7 | Low | 197 Ų | 197 | 122.6 Ų | 122.6 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.8 | -38 | 174.3 | -79.3 | -176.3 | 170.5 | -162.9 | -4.3 | 111.8 | R14 Q15 | R14-R17 WeakPolarHBondContact O-CB 3.49Å; R14-R17 PolarHBondContact O-N 3.21Å; Q15-R17 VanDerWaalsContact C-N 3.25Å; Q15-R17 PolarHBondContact O-N 3.46Å |
| 18 | E | 63.8 | Low | 59.9 | Low | 129 Ų | 129 | 128.5 Ų | 128.5 | 60% | 0.603 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.4 | -37.5 | 178.2 | -69.8 | 169.3 | -175.9 | 0 | 0 | 111.4 | R14 Q15 N20 S21 | R14-E18 PolarHBondContact O-N 3.13Å; R14-E18 VanDerWaalsContact O-N 3.12Å; Q15-E18 PolarHBondContact O-N 3.33Å; E18-N20 PolarHBondContact O-N 3.3Å; E18-N20 VanDerWaalsContact O-N 3.08Å; E18-S21 PolarHBondContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.03Å |
| 19 | S | 63.9 | Low | 57.6 | Low | 89 Ų | 89 | 137.9 Ų | 137.9 | 62% | 0.622 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -14.7 | 176.4 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | Q15 A16 | Q15-S19 WeakPolarHBondContact O-CB 3.49Å; Q15-S19 PolarHBondContact O-N 3.22Å; Q15-S19 PolarHBondContact O-OG 3.37Å; A16-S19 PolarHBondContact O-OG 3.19Å |
| 20 | N | 56.3 | Low | 55.7 | Low | 126 Ų | 126 | 144.5 Ų | 144.5 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -3.1 | -178.4 | -148 | 36.7 | 0 | 0 | 0 | 113.2 | E18 | E18-N20 PolarHBondContact O-N 3.3Å; E18-N20 VanDerWaalsContact O-N 3.08Å |
| 21 | S | 52.4 | Low | 53.6 | Low | 84 Ų | 84 | 145 Ų | 145 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -80.1 | -19.4 | 177.8 | 60 | 0 | 0 | 0 | 0 | 113.7 | E18 | E18-S21 PolarHBondContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.03Å |
| 22 | D | 42.3 | Very low | 51.3 | Low | 132 Ų | 132 | 141.6 Ų | 141.6 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -101.1 | 12.2 | -168.9 | -63.7 | -7.8 | 0 | 0 | 0 | 114.3 | ||
| 23 | R | 41.6 | Very low | 49.5 | Very low | 224 Ų | 224 | 141.6 Ų | 141.6 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -101.4 | 76.4 | 169 | -78.9 | -172.4 | 175 | 178 | -0.5 | 112.3 | ||
| 24 | V | 35.6 | Very low | 47.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | 48.5 | 114.7 | 124 | 178.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 25 | S | 39.6 | Very low | 45.5 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 62 | 130.5 | 138 | 78.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 26 | A | 34.1 | Very low | 43.2 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -47.7 | 129.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 27 | S | 34.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -165.6 | 124.1 | 140.5 | -93.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 28 | K | 32 | Very low | 39.8 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | 61.3 | 120.7 | 143.6 | -69.5 | 178.6 | 177.3 | 175 | 0 | 120.3 | R30 | K28-R30 PolarHBondContact O-N 3.1Š| ||
| 29 | R | 30.4 | Very low | 38.6 | Very low | 251 Ų | 251 | 145.9 Ų | 145.9 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | trans | -34.3 | 125.4 | 159.5 | -73.2 | 175.8 | 171.6 | -177.6 | -3.2 | 112.1 | ||||
| 30 | R | 34.4 | Very low | 37.2 | Very low | 247 Ų | 247 | 149.9 Ų | 149.9 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 121 | 162.7 | -76 | 177.6 | 168.6 | -178.8 | -4.6 | 109.2 | K28 | K28-R30 PolarHBondContact O-N 3.1Š|
| 31 | S | 31.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 130.3 | 156.6 | 55 | 0 | 0 | 0 | 0 | 108.6 | ||
| 32 | S | 31.9 | Very low | 35.8 | Very low | 114 Ų | 114 | 153 Ų | 153 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86 | 159.1 | 177.8 | -12.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 33 | P | 40 | Very low | 35.8 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 149 | -143.4 | 34.2 | -33.9 | 0 | 0 | 0 | 115.5 | ||
| 34 | S | 34.7 | Very low | 35.5 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 133.6 | 161.4 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 35 | K | 39.5 | Very low | 35.9 | Very low | 207 Ų | 207 | 155 Ų | 155 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -125.7 | 109 | 168.7 | -157.6 | 177.6 | -176.4 | -178.4 | 0 | 108 | ||||
| 36 | D | 30.3 | Very low | 36 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -61.4 | 148.5 | 170 | -69.1 | -60.8 | 0 | 0 | 0 | 111.6 | ||||
| 37 | G | 34.3 | Very low | 36.5 | Very low | 75 Ų | 75 | 155.7 Ų | 155.7 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | 170.6 | 66.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 38 | R | 32.2 | Very low | 36.8 | Very low | 249 Ų | 249 | 156.1 Ų | 156.1 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | 16.5 | 125 | 148 | -60.2 | 175.8 | 176.9 | -179.9 | -2.3 | 118.8 | ||||
| 39 | S | 37.8 | Very low | 37.5 | Very low | 120 Ų | 120 | 156.2 Ų | 156.2 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | -166.5 | 125.2 | 118 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | C41 | S39-C41 PolarHBondContact O-N 3.23Š| |||
| 40 | L | 34.9 | Very low | 38.2 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -63.3 | 120.4 | 166.3 | -79.9 | 148.4 | 0 | 0 | 0 | 110.1 | ||||
| 41 | C | 42.7 | Very low | 38.8 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -148.5 | 84.4 | 149.5 | -100.5 | 0 | 0 | 0 | 0 | 108.3 | S39 R43 | S39-C41 PolarHBondContact O-N 3.23Å; C41-R43 PolarHBondContact O-N 3.46Å | ||
| 42 | E | 36.5 | Very low | 39.6 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -0.8 | 113.3 | 132.5 | -144.4 | -171.9 | 121.7 | 0 | 0 | 115.1 | ||||
| 43 | R | 42.3 | Very low | 40.3 | Very low | 208 Ų | 208 | 152.2 Ų | 152.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 166.5 | 135.6 | 106.3 | -87.7 | -175.5 | -176.6 | 169.8 | 1.4 | 112 | C41 V45 | C41-R43 PolarHBondContact O-N 3.46Å; R43-V45 PolarHBondContact O-N 3.1Å | |||
| 44 | H | 36.1 | Very low | 40.7 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -48 | 126 | 167.5 | -76.8 | -119.5 | 0 | 0 | 0 | 112.4 | ||||
| 45 | V | 44.4 | Very low | 41.4 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -132.3 | 98.1 | 146.2 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | R43 G47 | R43-V45 PolarHBondContact O-N 3.1Å; V45-G47 PolarHBondContact O-N 3.21Å | ||
| 46 | L | 41.4 | Very low | 42.2 | Very low | 155 Ų | 155 | 150 Ų | 150 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -65.7 | 87.1 | 161.9 | -70.4 | 168.6 | 0 | 0 | 0 | 107.3 | V48 | L46-V48 PolarHBondContact O-N 3.35Š| ||
| 47 | G | 43.3 | Very low | 43.6 | Very low | 61 Ų | 61 | 146.1 Ų | 146.1 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -94.3 | 86.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V45 F49 | V45-G47 PolarHBondContact O-N 3.21Å; G47-F49 PolarHBondContact O-N 3.41Å | ||
| 48 | V | 42.5 | Very low | 44.8 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -84.4 | 68.7 | -178 | -161 | 0 | 0 | 0 | 0 | 110.7 | L46 | L46-V48 PolarHBondContact O-N 3.35Š| ||
| 49 | F | 45.6 | Very low | 46 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -154.1 | 135 | 169 | -68.1 | -81.9 | 0 | 0 | 0 | 107.6 | G47 | G47-F49 PolarHBondContact O-N 3.41Š| ||
| 50 | S | 45.4 | Very low | 47.3 | Very low | 89 Ų | 89 | 156.9 Ų | 156.9 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | cis | -170 | 141.8 | 9.5 | 38.1 | 0 | 0 | 0 | 0 | 106.3 | V52 | S50-V52 PolarHBondContact O-N 2.91Š| ||
| 51 | K | 47.2 | Very low | 48.7 | Very low | 222 Ų | 222 | 154.5 Ų | 154.5 | 97% | 0.965 | 79% | 0.79 | S | S | * | * | trans | -46.8 | 100.2 | 162.7 | -88.4 | 164.2 | 164.5 | 154.9 | 0 | 109.9 | ||||
| 52 | V | 48.9 | Very low | 50 | Low | 115 Ų | 115 | 154.9 Ų | 154.9 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -118 | 113.3 | 162.4 | -166.7 | 0 | 0 | 0 | 0 | 108.2 | S50 F54 | S50-V52 PolarHBondContact O-N 2.91Å; V52-F54 PolarHBondContact O-N 2.82Å | ||
| 53 | R | 46.2 | Very low | 51.4 | Low | 222 Ų | 222 | 159.2 Ų | 159.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 102 | -170.7 | -170.5 | -176.6 | -170.3 | 161 | 0.9 | 109.7 | C55 | R53-C55 PolarHBondContact O-N 3.36Š| ||
| 54 | F | 48.3 | Very low | 52.5 | Low | 206 Ų | 206 | 160.3 Ų | 160.3 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -82.3 | 95.2 | 161.9 | -96.5 | -82.9 | 0 | 0 | 0 | 109.2 | V52 | V52-F54 PolarHBondContact O-N 2.82Š| ||
| 55 | C | 49.6 | Very low | 54.1 | Low | 86 Ų | 86 | 163.2 Ų | 163.2 | 58% | 0.581 | 81% | 0.806 | S | S | * | * | trans | -56 | 136.1 | 171.4 | -67 | 0 | 0 | 0 | 0 | 111.5 | R53 | R53-C55 PolarHBondContact O-N 3.36Š| ||
| 56 | S | 56.2 | Low | 55.5 | Low | 105 Ų | 105 | 162.4 Ų | 162.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | 49.4 | 89.5 | 154.9 | 54.4 | 0 | 0 | 0 | 0 | 117.4 | R58 | S56-R58 PolarHBondContact O-N 3.32Š| ||
| 57 | G | 59.4 | Low | 57 | Low | 78 Ų | 78 | 159.9 Ų | 159.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -55.5 | 96.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K59 | G57-K59 PolarHBondContact O-N 2.78Š| ||
| 58 | R | 60 | Low | 58.5 | Low | 237 Ų | 237 | 160.8 Ų | 160.8 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -55.2 | 108.1 | 162.5 | -82.1 | -177.7 | 173.1 | -173 | -1.8 | 106.9 | S56 R60 | S56-R58 PolarHBondContact O-N 3.32Å; R58-R60 PolarHBondContact O-N 2.87Å | ||
| 59 | K | 57.1 | Low | 60.6 | Low | 203 Ų | 203 | 161.5 Ų | 161.5 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -54.4 | 113.3 | 168.8 | -71.2 | -173.8 | 178.7 | 179.3 | 0 | 106.8 | G57 | G57-K59 PolarHBondContact O-N 2.78Š| ||
| 60 | R | 65.6 | Low | 62.7 | Low | 229 Ų | 229 | 153.8 Ų | 153.8 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -56.5 | 132.8 | 174.1 | -68.2 | -179.4 | 176.1 | 176.2 | -1.5 | 107.4 | R58 V62 | R58-R60 PolarHBondContact O-N 2.87Å; R60-V62 PolarHBondContact O-N 3.49Å; R60-V62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | P | 64 | Low | 65 | Low | 123 Ų | 123 | 156.3 Ų | 156.3 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -54.8 | 125.6 | 176.9 | -18 | 26.5 | 0 | 0 | 0 | 108.7 | R63 | P61-R63 PolarHBondContact O-N 3.5Š| ||
| 62 | V | 70.5 | Confident | 67.3 | Low | 132 Ų | 132 | 145.9 Ų | 145.9 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | trans | -59.1 | 107 | 170.3 | 177.3 | 0 | 0 | 0 | 0 | 105.7 | R60 R64 | R60-V62 PolarHBondContact O-N 3.49Å; R60-V62 VanDerWaalsContact O-N 3.14Å; V62-R64 VanDerWaalsContact C-N 3.33Å; V62-R64 PolarHBondContact O-N 2.93Å | ||
| 63 | R | 66.1 | Low | 69.6 | Low | 241 Ų | 241 | 142.4 Ų | 142.4 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | trans | -57.5 | 101.8 | 170.7 | -86.6 | -175.1 | 170.3 | 176 | -3.1 | 106.3 | P61 R65 | P61-R63 PolarHBondContact O-N 3.5Å; R63-R65 PolarHBondContact O-N 2.98Å; R63-R65 VanDerWaalsContact O-N 3.12Å | ||
| 64 | R | 65.3 | Low | 72.1 | Confident | 232 Ų | 232 | 132.4 Ų | 132.4 | 88% | 0.875 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 120.7 | 169.2 | -70.8 | -171.7 | 176.5 | 172.7 | -0.5 | 105.8 | V62 | V62-R64 VanDerWaalsContact C-N 3.33Å; V62-R64 PolarHBondContact O-N 2.93Å |
| 65 | R | 68.3 | Low | 74.4 | Confident | 235 Ų | 235 | 122.6 Ų | 122.6 | 89% | 0.887 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.9 | 169.3 | -80.1 | -173.6 | 167.5 | -175.1 | -3.5 | 106.5 | R63 E67 | R63-R65 PolarHBondContact O-N 2.98Å; R63-R65 VanDerWaalsContact O-N 3.12Å; R65-E67 PolarHBondContact O-N 3.02Å |
| 66 | P | 74.5 | Confident | 76.7 | Confident | 120 Ų | 120 | 120.8 Ų | 120.8 | 78% | 0.779 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.5 | 171.2 | -22.5 | 32.1 | 0 | 0 | 0 | 108.4 | ||
| 67 | E | 72.9 | Confident | 78.7 | Confident | 102 Ų | 102 | 115.8 Ų | 115.8 | 48% | 0.477 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 141.7 | 174.3 | -72.6 | -169.4 | 160.3 | 0 | 0 | 109 | R65 Q69 R209 | R65-E67 PolarHBondContact O-N 3.02Å; E67-Q69 PolarHBondContact O-N 2.97Å; E67-Q69 VanDerWaalsContact O-N 3.1Å; E67-R209 IonicContact OE1-CZ 3.46Å; E67-R209 VanDerWaalsContact OE1-CZ 3.24Å; E67-R209 IonicContact OE1-NH1 3.98Å; E67-R209 PolarHBondContact OE1-NH1 3.08Å; E67-R209 IonicContact OE1-NH2 2.94Å; E67-R209 PolarHBondContact OE1-NH2 3.48Å; E67-R209 IonicContact OE2-CZ 3.31Å; E67-R209 IonicContact OE2-NE 2.74Å; E67-R209 IonicContact OE2-NH1 3.01Å; E67-R209 PolarHBondContact OE2-NH1 3.01Å; E67-R209 IonicContact OE2-NH2 2.85Å; E67-R209 PolarHBondContact OE2-NH2 3.38Å |
| 68 | P | 75 | Confident | 80.6 | Confident | 79 Ų | 79 | 115.1 Ų | 115.1 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 119.7 | 176.9 | 23 | -31.1 | 0 | 0 | 0 | 109.5 | E210 | P68-E210 HydrophobicContact CG-CB 4.41Å; P68-E210 WeakPolarHBondContact CG-OE2 3.37Å |
| 69 | Q | 86.2 | Confident | 82.4 | Confident | 135 Ų | 135 | 103.9 Ų | 103.9 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.1 | 177.7 | -73.1 | -179.9 | -10.7 | 0 | 0 | 109.3 | E67 M207 Y208 | E67-Q69 PolarHBondContact O-N 2.97Å; E67-Q69 VanDerWaalsContact O-N 3.1Å; Q69-M207 HydrophobicContact CB-CB 4.29Å; Q69-M207 HydrophobicContact CB-SD 4.44Å; Q69-Y208 CarbonylContact C-O 3.54Å; Q69-Y208 WeakPolarHBondContact CA-O 3.38Å |
| 70 | L | 90.9 | Very high | 84.3 | Confident | 38 Ų | 38 | 97.8 Ų | 97.8 | 20% | 0.199 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.4 | 175.1 | -61.2 | 174.6 | 0 | 0 | 0 | 108.8 | G72 I109 P110 V111 Y208 E210 | L70-G72 PolarHBondContact O-N 3.48Å; L70-I109 HydrophobicContact CB-CG2 4.33Å; L70-I109 HydrophobicContact CD1-CG2 3.87Å; L70-P110 HydrophobicContact CB-CG 4.5Å; L70-P110 WeakPolarHBondContact CD1-O 3.31Å; L70-V111 HydrophobicContact CD1-CG1 4.5Å; L70-Y208 PolarHBondContact N-O 2.7Å; L70-Y208 PolarHBondContact O-N 3.21Å; L70-E210 HydrophobicContact CD1-CB 4.16Å; L70-E210 HydrophobicContact CD1-CG 4.25Å; L70-E210 HydrophobicContact CG-CB 4.43Å |
| 71 | K | 93.4 | Very high | 85.8 | Confident | 142 Ų | 142 | 89 Ų | 89 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 100.4 | 175.4 | -173.4 | -178 | -178.3 | -179.1 | 0 | 109.5 | P110 V205 M207 | K71-P110 VanDerWaalsContact O-CG 3.26Å; K71-P110 WeakPolarHBondContact O-CG 3.44Å; K71-V205 HydrophobicContact CD-CG1 4.25Å; K71-V205 HydrophobicContact CG-CG1 3.83Å; K71-M207 HydrophobicContact CB-CE 4.29Å; K71-M207 HydrophobicContact CB-SD 3.86Å; K71-M207 HydrophobicContact CD-CE 4.42Å; K71-M207 HydrophobicContact CG-CE 4.18Å; K71-M207 HydrophobicContact CG-SD 4.17Å |
| 72 | G | 95.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 84.6 Ų | 84.6 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -166.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L70 L108 C206 | L70-G72 PolarHBondContact O-N 3.48Å; G72-L108 WeakPolarHBondContact CA-O 3.21Å; G72-C206 PolarHBondContact N-O 2.97Å; G72-C206 PolarHBondContact O-N 3.26Å |
| 73 | I | 96.7 | Very high | 88.8 | Confident | 42 Ų | 42 | 80 Ų | 80 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.4 | 178.1 | 59.1 | 174.2 | 0 | 0 | 0 | 110.9 | T75 L108 P202 E204 V205 Y208 | I73-T75 HydrophobicContact CD1-CG2 4.37Å; I73-T75 HydrophobicContact CG1-CG2 4.46Å; I73-L108 HydrophobicContact CD1-CB 4.47Å; I73-L108 HydrophobicContact CD1-CD2 4.24Å; I73-L108 HydrophobicContact CG1-CB 3.79Å; I73-L108 HydrophobicContact CG1-CD2 4.4Å; I73-L108 PolarHBondContact N-O 3.15Å; I73-L108 PolarHBondContact O-N 2.91Å; I73-P202 HydrophobicContact CD1-CB 4.07Å; I73-P202 HydrophobicContact CD1-CG 4Å; I73-E204 CarbonylContact C-O 3.4Å; I73-E204 VanDerWaalsContact CA-O 3.25Å; I73-E204 WeakPolarHBondContact CA-O 3.45Å; I73-E204 WeakPolarHBondContact CB-O 3.49Å; I73-V205 HydrophobicContact CG2-CG2 4.07Å; I73-Y208 PolarHBondContact O-OH 2.99Å |
| 74 | V | 97.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 69 Ų | 69 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126 | 159.7 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | L105 F106 V121 I203 E204 Y208 | V74-L105 HydrophobicContact CG1-CD2 4.28Å; V74-F106 WeakPolarHBondContact CA-O 3.44Å; V74-V121 HydrophobicContact CG1-CG2 4.22Å; V74-I203 HydrophobicContact CG1-CD1 4.48Å; V74-I203 PolarHBondContact O-N 3.09Å; V74-E204 HydrophobicContact CB-CG 3.8Å; V74-E204 HydrophobicContact CG2-CG 3.89Å; V74-E204 PolarHBondContact N-O 3.29Å; V74-E204 PolarHBondContact O-N 2.9Å; V74-Y208 WeakPolarHBondContact CG2-OH 3Å |
| 75 | T | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.1 | -174 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | I73 L77 F106 L108 K201 | I73-T75 HydrophobicContact CD1-CG2 4.37Å; I73-T75 HydrophobicContact CG1-CG2 4.46Å; T75-L77 HydrophobicContact CG2-CD2 4.14Å; T75-F106 PolarHBondContact N-O 3.22Å; T75-F106 PolarHBondContact O-N 3.2Å; T75-L108 HydrophobicContact CG2-CB 3.95Å; T75-L108 HydrophobicContact CG2-CD2 4.4Å; T75-K201 WeakPolarHBondContact CA-O 3.41Å; T75-K201 PolarHBondContact OG1-N 3.23Å; T75-K201 PolarHBondContact OG1-O 2.97Å |
| 76 | R | 98 | Very high | 93.3 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 145.8 | 158.8 | -63.7 | -177.7 | 175.7 | 96.7 | -1.1 | 109.2 | F84 E99 T104 L105 K201 I203 | R76-F84 HydrophobicContact CB-CD1 3.95Å; R76-F84 HydrophobicContact CB-CE1 4.21Å; R76-E99 PolarHBondContact NE-O 3.13Å; R76-T104 WeakPolarHBondContact CD-OG1 3.36Å; R76-T104 PolarHBondContact NE-OG1 3.35Å; R76-T104 VanDerWaalsContact NE-OG1 3.09Å; R76-L105 HydrophobicContact CG-CD2 4.21Å; R76-K201 HydrophobicContact CB-CB 4.43Å; R76-K201 PolarHBondContact N-O 3.45Å; R76-K201 PolarHBondContact O-N 2.99Å; R76-I203 HydrophobicContact CG-CD1 4.24Å; R76-I203 VanDerWaalsContact NH1-CD1 3.27Å |
| 77 | L | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 103.1 | 175.8 | -64.9 | 179.5 | 0 | 0 | 0 | 109 | T75 F84 L85 I118 Y159 F198 P200 | T75-L77 HydrophobicContact CG2-CD2 4.14Å; L77-F84 WeakPolarHBondContact O-CA 3.39Å; L77-L85 HydrophobicContact CB-CB 4.07Å; L77-L85 HydrophobicContact CD1-CD2 3.91Å; L77-L85 PolarHBondContact O-N 3.03Å; L77-I118 HydrophobicContact CD1-CG2 4.41Å; L77-Y159 HydrophobicContact CD1-CE2 4.17Å; L77-Y159 HydrophobicContact CD2-CE2 4.18Å; L77-Y159 WeakPolarHBondContact CD2-OH 3.32Å; L77-F198 HydrophobicContact CB-CD1 4.03Å; L77-P200 HydrophobicContact CD2-CB 4.05Å; L77-P200 HydrophobicContact CD2-CG 4.03Å |
| 78 | F | 98.1 | Very high | 95.6 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.8 | 178.6 | -174.9 | -107.6 | 0 | 0 | 0 | 110.6 | F84 F198 V199 | F78-F84 HydrophobicContact CB-CD1 4.01Å; F78-F84 HydrophobicContact CB-CE1 3.83Å; F78-F84 AromaticContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD2 4.06Å; F78-F84 AromaticContact CD2-CE1 3.63Å; F78-F84 HydrophobicContact CD2-CE1 3.63Å; F78-F84 AromaticContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CG 4.06Å; F78-F84 AromaticContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CE2-CD2 4.46Å; F78-F84 HydrophobicContact CE2-CE2 4.13Å; F78-F84 HydrophobicContact CE2-CZ 4.23Å; F78-F84 HydrophobicContact CG-CD1 4.43Å; F78-F84 HydrophobicContact CG-CE1 4.12Å; F78-F84 HydrophobicContact CG-CZ 4.42Å; F78-F198 CarbonylContact O-C 3.57Å; F78-F198 VanDerWaalsContact O-CA 3.28Å; F78-F198 WeakPolarHBondContact O-CA 3.41Å; F78-V199 PolarHBondContact N-O 3.32Å; F78-V199 PolarHBondContact O-N 2.76Å |
| 79 | S | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 145.1 | 177.3 | -177 | 0 | 0 | 0 | 0 | 111.5 | Q81 G82 Y83 H197 | S79-Q81 PolarHBondContact O-N 3.06Å; S79-Q81 PolarHBondContact OG-N 3.13Å; S79-G82 PolarHBondContact O-N 2.87Å; S79-Y83 VanDerWaalsContact CB-O 3.3Å; S79-Y83 WeakPolarHBondContact CB-O 3.13Å; S79-Y83 PolarHBondContact N-O 2.74Å; S79-H197 WeakPolarHBondContact CA-O 3.3Å |
| 80 | Q | 97.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 36% | 0.355 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.4 | 170.7 | -171.3 | 179.7 | 8.5 | 0 | 0 | 112.6 | G82 Y156 P194 H197 | Q80-G82 PolarHBondContact O-N 3.36Å; Q80-Y156 HydrophobicContact CB-CE1 4.08Å; Q80-Y156 VanDerWaalsContact CD-OH 3.31Å; Q80-Y156 HydrophobicContact CG-CE1 4.16Å; Q80-Y156 PolarHBondContact NE2-OH 2.82Å; Q80-Y156 VanDerWaalsContact NE2-OH 3.17Å; Q80-P194 HydrophobicContact CB-CB 4.23Å; Q80-P194 HydrophobicContact CG-CB 4.09Å; Q80-H197 HydrophobicContact CB-CB 3.85Å; Q80-H197 PolarHBondContact N-O 3.46Å; Q80-H197 PolarHBondContact OE1-ND1 3.45Å |
| 81 | Q | 97.6 | Very high | 97.4 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -5.2 | 174.9 | -58 | -77.8 | 52.2 | 0 | 0 | 113.4 | S79 Y83 L177 N178 | S79-Q81 PolarHBondContact O-N 3.06Å; S79-Q81 PolarHBondContact OG-N 3.13Å; Q81-Y83 HydrophobicContact CB-CD2 4.12Å; Q81-Y83 VanDerWaalsContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.37Å; Q81-L177 PolarHBondContact NE2-O 3.3Å; Q81-N178 WeakPolarHBondContact CG-O 3.29Å; Q81-N178 VanDerWaalsContact NE2-C 3.31Å; Q81-N178 PolarHBondContact NE2-O 2.98Å |
| 82 | G | 97.8 | Very high | 97.6 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 32% | 0.32 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 92 | 22.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S79 Q80 | S79-G82 PolarHBondContact O-N 2.87Å; Q80-G82 PolarHBondContact O-N 3.36Å |
| 83 | Y | 98.4 | Very high | 97.7 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | trans | -130.2 | 140.2 | -177.9 | -62.1 | -93.9 | 0 | 0 | 0 | 110.8 | S79 Q81 G95 T96 K97 K179 | S79-Y83 VanDerWaalsContact CB-O 3.3Å; S79-Y83 WeakPolarHBondContact CB-O 3.13Å; S79-Y83 PolarHBondContact N-O 2.74Å; Q81-Y83 HydrophobicContact CB-CD2 4.12Å; Q81-Y83 VanDerWaalsContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.37Å; Y83-G95 WeakPolarHBondContact CD1-O 3.3Å; Y83-T96 CarbonylContact C-O 3.49Å; Y83-T96 WeakPolarHBondContact CA-O 3.29Å; Y83-K97 HydrophobicContact CD1-CG 3.94Å; Y83-K97 HydrophobicContact CE1-CD 4.42Å; Y83-K97 HydrophobicContact CE1-CG 3.95Å; Y83-K179 WeakPolarHBondContact CE2-O 3.42Å; Y83-K179 PolarHBondContact OH-O 2.74Å | ||
| 84 | F | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.9 | 161.2 | -67.2 | -79.9 | 0 | 0 | 0 | 109.2 | R76 L77 F78 Q86 G95 T96 E99 T104 K201 | R76-F84 HydrophobicContact CB-CD1 3.95Å; R76-F84 HydrophobicContact CB-CE1 4.21Å; L77-F84 WeakPolarHBondContact O-CA 3.39Å; F78-F84 HydrophobicContact CB-CD1 4.01Å; F78-F84 HydrophobicContact CB-CE1 3.83Å; F78-F84 AromaticContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD2 4.06Å; F78-F84 AromaticContact CD2-CE1 3.63Å; F78-F84 HydrophobicContact CD2-CE1 3.63Å; F78-F84 AromaticContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CG 4.06Å; F78-F84 AromaticContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CE2-CD2 4.46Å; F78-F84 HydrophobicContact CE2-CE2 4.13Å; F78-F84 HydrophobicContact CE2-CZ 4.23Å; F78-F84 HydrophobicContact CG-CD1 4.43Å; F78-F84 HydrophobicContact CG-CE1 4.12Å; F78-F84 HydrophobicContact CG-CZ 4.42Å; F84-Q86 PolarHBondContact O-N 2.77Å; F84-G95 CarbonylContact O-C 3.55Å; F84-G95 VanDerWaalsContact O-CA 3.26Å; F84-G95 WeakPolarHBondContact O-CA 3.42Å; F84-T96 HydrophobicContact CB-CG2 4.2Å; F84-T96 PolarHBondContact N-O 2.92Å; F84-T96 PolarHBondContact O-N 2.87Å; F84-E99 HydrophobicContact CD2-CB 4.4Å; F84-E99 HydrophobicContact CE1-CG 4.49Å; F84-E99 HydrophobicContact CE2-CB 3.68Å; F84-E99 HydrophobicContact CE2-CG 3.91Å; F84-E99 HydrophobicContact CZ-CB 4.04Å; F84-E99 HydrophobicContact CZ-CG 3.71Å; F84-E99 WeakPolarHBondContact CZ-OE1 3.48Å; F84-T104 HydrophobicContact CB-CG2 3.75Å; F84-K201 HydrophobicContact CE1-CD 4.08Å |
| 85 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 138.2 | 167.5 | -169.2 | 69.2 | 0 | 0 | 0 | 108.7 | L77 I93 T104 F106 L175 L177 F198 | L77-L85 HydrophobicContact CB-CB 4.07Å; L77-L85 HydrophobicContact CD1-CD2 3.91Å; L77-L85 PolarHBondContact O-N 3.03Å; L85-I93 HydrophobicContact CD1-CG2 3.76Å; L85-I93 HydrophobicContact CG-CG2 4.4Å; L85-T104 WeakPolarHBondContact O-CA 3.37Å; L85-F106 HydrophobicContact CB-CE2 4.01Å; L85-F106 HydrophobicContact CB-CZ 4.4Å; L85-F106 HydrophobicContact CD2-CE1 4.25Å; L85-F106 HydrophobicContact CD2-CE2 3.99Å; L85-F106 HydrophobicContact CD2-CZ 3.79Å; L85-F106 HydrophobicContact CG-CE2 3.94Å; L85-F106 HydrophobicContact CG-CZ 3.81Å; L85-F106 WeakPolarHBondContact O-CE2 3.44Å; L85-L175 HydrophobicContact CD2-CD2 4.39Å; L85-L177 HydrophobicContact CD1-CD1 4.45Å; L85-L177 HydrophobicContact CD1-CD2 4.16Å; L85-F198 HydrophobicContact CB-CE1 4.47Å |
| 86 | Q | 97.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.5 | 179.4 | 168.1 | 163.2 | -14.9 | 0 | 0 | 109.8 | F84 H88 I93 D94 T96 Y103 T104 | F84-Q86 PolarHBondContact O-N 2.77Å; Q86-H88 PolarHBondContact NE2-CE1 2.67Å; Q86-H88 PolarHBondContact NE2-ND1 3.29Å; Q86-H88 VanDerWaalsContact NE2-ND1 3.2Å; Q86-H88 PolarHBondContact NE2-NE2 3.42Å; Q86-I93 WeakPolarHBondContact O-CA 3.44Å; Q86-D94 WeakPolarHBondContact CB-OD1 3.41Å; Q86-D94 PolarHBondContact N-O 3.32Å; Q86-D94 PolarHBondContact O-N 2.92Å; Q86-D94 VanDerWaalsContact O-N 3.12Å; Q86-T96 HydrophobicContact CB-CG2 4.06Å; Q86-Y103 WeakPolarHBondContact CA-O 3.46Å; Q86-T104 HydrophobicContact CB-CG2 4.35Å |
| 87 | M | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.9 | 170.5 | -178.9 | -178.2 | -75 | 0 | 0 | 109.4 | T92 I93 Y103 F106 A123 L125 V127 | M87-T92 WeakPolarHBondContact CA-O 3.41Å; M87-I93 HydrophobicContact CE-CD1 3.87Å; M87-I93 HydrophobicContact CE-CG1 3.99Å; M87-I93 HydrophobicContact CG-CG1 4.35Å; M87-Y103 PolarHBondContact N-O 3.27Å; M87-F106 HydrophobicContact CB-CE1 3.86Å; M87-F106 HydrophobicContact CB-CZ 3.77Å; M87-F106 HydrophobicContact CE-CE1 4.06Å; M87-A123 HydrophobicContact CG-CB 3.9Å; M87-A123 HydrophobicContact SD-CB 3.8Å; M87-L125 HydrophobicContact SD-CB 3.85Å; M87-L125 VanDerWaalsContact SD-O 3.38Å; M87-V127 HydrophobicContact CE-CG2 3.46Å; M87-V127 VanDerWaalsContact CE-CG2 3.46Å |
| 88 | H | 97.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 22% | 0.218 | 24% | 0.237 | C | C | . | . | trans | -77 | 159.3 | 178 | -65.2 | -85.4 | 0 | 0 | 0 | 111.3 | Q86 D90 G91 T92 D94 A123 | Q86-H88 PolarHBondContact NE2-CE1 2.67Å; Q86-H88 PolarHBondContact NE2-ND1 3.29Å; Q86-H88 VanDerWaalsContact NE2-ND1 3.2Å; Q86-H88 PolarHBondContact NE2-NE2 3.42Å; H88-D90 WeakPolarHBondContact CB-OD1 3.47Å; H88-D90 PolarHBondContact O-N 3.01Å; H88-G91 PolarHBondContact O-N 2.95Å; H88-T92 PolarHBondContact CD2-O 3.12Å; H88-T92 PolarHBondContact N-O 3.41Å; H88-D94 IonicContact CD2-OD1 2.84Å; H88-D94 PolarHBondContact CD2-OD1 3.14Å; H88-D94 IonicContact CD2-OD2 3.07Å; H88-D94 IonicContact CE1-OD2 3.42Å; H88-D94 VanDerWaalsContact NE2-CG 3.28Å; H88-D94 IonicContact NE2-OD1 3.79Å; H88-D94 PolarHBondContact NE2-OD1 3.37Å; H88-D94 IonicContact NE2-OD2 3.12Å; H88-D94 PolarHBondContact NE2-OD2 3.01Å; H88-A123 WeakPolarHBondContact O-CB 3.39Å | ||
| 89 | P | 96.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.9 | 178.8 | -25 | 35.7 | 0 | 0 | 0 | 114.9 | G91 Y103 | P89-G91 PolarHBondContact O-N 2.87Å; P89-Y103 HydrophobicContact CG-CD1 4.29Å; P89-Y103 HydrophobicContact CG-CE1 3.57Å |
| 90 | D | 96.2 | Very high | 97 | Very high | 115 Ų | 115 | 51.8 Ų | 51.8 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.4 | 174 | 69.8 | -20.9 | 0 | 0 | 0 | 112.8 | H88 T92 | H88-D90 WeakPolarHBondContact CB-OD1 3.47Å; H88-D90 PolarHBondContact O-N 3.01Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 VanDerWaalsContact OD1-CB 3.28Å; D90-T92 WeakPolarHBondContact OD1-CB 3.16Å; D90-T92 PolarHBondContact OD1-N 3.13Å; D90-T92 PolarHBondContact OD1-OG1 2.99Å; D90-T92 PolarHBondContact OD2-OG1 3Å |
| 91 | G | 96.7 | Very high | 97 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 86.7 | 3.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H88 P89 S137 | H88-G91 PolarHBondContact O-N 2.95Å; P89-G91 PolarHBondContact O-N 2.87Å; G91-S137 WeakPolarHBondContact CA-OG 3.38Å; G91-S137 WeakPolarHBondContact O-CB 3.48Å; G91-S137 PolarHBondContact O-OG 3.41Å |
| 92 | T | 97.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 50.3 Ų | 50.3 | 41% | 0.405 | 28% | 0.275 | S | S | . | . | trans | -67.1 | 135.4 | 172.9 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | M87 H88 D90 | M87-T92 WeakPolarHBondContact CA-O 3.41Å; H88-T92 PolarHBondContact CD2-O 3.12Å; H88-T92 PolarHBondContact N-O 3.41Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 VanDerWaalsContact OD1-CB 3.28Å; D90-T92 WeakPolarHBondContact OD1-CB 3.16Å; D90-T92 PolarHBondContact OD1-N 3.13Å; D90-T92 PolarHBondContact OD1-OG1 2.99Å; D90-T92 PolarHBondContact OD2-OG1 3Å | ||
| 93 | I | 98.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.7 | 179.7 | -55.8 | 169.5 | 0 | 0 | 0 | 109.1 | L85 Q86 M87 V127 I183 | L85-I93 HydrophobicContact CD1-CG2 3.76Å; L85-I93 HydrophobicContact CG-CG2 4.4Å; Q86-I93 WeakPolarHBondContact O-CA 3.44Å; M87-I93 HydrophobicContact CE-CD1 3.87Å; M87-I93 HydrophobicContact CE-CG1 3.99Å; M87-I93 HydrophobicContact CG-CG1 4.35Å; I93-V127 HydrophobicContact CD1-CB 4.48Å; I93-V127 HydrophobicContact CD1-CG1 4.08Å; I93-V127 HydrophobicContact CD1-CG2 4.09Å; I93-I183 HydrophobicContact CG2-CD1 4.04Å; I93-I183 WeakPolarHBondContact O-CB 3.22Å |
| 94 | D | 97.7 | Very high | 96.9 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | -166.5 | 179.1 | 63.3 | -1.2 | 0 | 0 | 0 | 110.7 | Q86 H88 G181 | Q86-D94 WeakPolarHBondContact CB-OD1 3.41Å; Q86-D94 PolarHBondContact N-O 3.32Å; Q86-D94 PolarHBondContact O-N 2.92Å; Q86-D94 VanDerWaalsContact O-N 3.12Å; H88-D94 IonicContact CD2-OD1 2.84Å; H88-D94 PolarHBondContact CD2-OD1 3.14Å; H88-D94 IonicContact CD2-OD2 3.07Å; H88-D94 IonicContact CE1-OD2 3.42Å; H88-D94 VanDerWaalsContact NE2-CG 3.28Å; H88-D94 IonicContact NE2-OD1 3.79Å; H88-D94 PolarHBondContact NE2-OD1 3.37Å; H88-D94 IonicContact NE2-OD2 3.12Å; H88-D94 PolarHBondContact NE2-OD2 3.01Å; D94-G181 CarbonylContact C-O 3.57Å |
| 95 | G | 98 | Very high | 96.8 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y83 F84 G181 | Y83-G95 WeakPolarHBondContact CD1-O 3.3Å; F84-G95 CarbonylContact O-C 3.55Å; F84-G95 VanDerWaalsContact O-CA 3.26Å; F84-G95 WeakPolarHBondContact O-CA 3.42Å; G95-G181 VanDerWaalsContact CA-O 3.27Å; G95-G181 WeakPolarHBondContact CA-O 3.21Å; G95-G181 PolarHBondContact N-O 3.45Å |
| 96 | T | 97.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 156.3 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | Y83 F84 Q86 D98 T104 | Y83-T96 CarbonylContact C-O 3.49Å; Y83-T96 WeakPolarHBondContact CA-O 3.29Å; F84-T96 HydrophobicContact CB-CG2 4.2Å; F84-T96 PolarHBondContact N-O 2.92Å; F84-T96 PolarHBondContact O-N 2.87Å; Q86-T96 HydrophobicContact CB-CG2 4.06Å; T96-D98 PolarHBondContact OG1-N 3.1Å; T96-D98 VanDerWaalsContact OG1-N 3.14Å; T96-T104 HydrophobicContact CG2-CG2 3.38Å |
| 97 | K | 97.2 | Very high | 96.9 | Very high | 153 Ų | 153 | 52.6 Ų | 52.6 | 67% | 0.665 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -92.6 | -9.2 | 169.8 | -65.8 | -177.5 | 178.4 | 178 | 0 | 112.5 | Y83 E99 | Y83-K97 HydrophobicContact CD1-CG 3.94Å; Y83-K97 HydrophobicContact CE1-CD 4.42Å; Y83-K97 HydrophobicContact CE1-CG 3.95Å; K97-E99 PolarHBondContact O-N 2.86Å |
| 98 | D | 96.1 | Very high | 96.8 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | trans | -78.3 | 108.5 | -179.7 | -177.4 | 16.1 | 0 | 0 | 0 | 111.2 | T96 N100 S101 | T96-D98 PolarHBondContact OG1-N 3.1Å; T96-D98 VanDerWaalsContact OG1-N 3.14Å; D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 2.82Å; D98-N100 WeakPolarHBondContact OD1-CB 3.49Å; D98-N100 PolarHBondContact OD1-N 3.35Å; D98-S101 WeakPolarHBondContact OD2-CB 3.47Å; D98-S101 PolarHBondContact OD2-N 3.38Å | ||
| 99 | E | 90.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -21.2 | 177 | -172.2 | 160.5 | -146.6 | 0 | 0 | 112.5 | R76 F84 K97 K201 | R76-E99 PolarHBondContact NE-O 3.13Å; F84-E99 HydrophobicContact CD2-CB 4.4Å; F84-E99 HydrophobicContact CE1-CG 4.49Å; F84-E99 HydrophobicContact CE2-CB 3.68Å; F84-E99 HydrophobicContact CE2-CG 3.91Å; F84-E99 HydrophobicContact CZ-CB 4.04Å; F84-E99 HydrophobicContact CZ-CG 3.71Å; F84-E99 WeakPolarHBondContact CZ-OE1 3.48Å; K97-E99 PolarHBondContact O-N 2.86Å; E99-K201 IonicContact OE1-NZ 3.57Å; E99-K201 PolarHBondContact OE1-NZ 3.21Å |
| 100 | N | 93.4 | Very high | 96.8 | Very high | 135 Ų | 135 | 49.6 Ų | 49.6 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7.4 | -177.6 | -62.6 | -25.3 | 0 | 0 | 0 | 112.8 | D98 D102 | D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 2.82Å; D98-N100 WeakPolarHBondContact OD1-CB 3.49Å; D98-N100 PolarHBondContact OD1-N 3.35Å; N100-D102 PolarHBondContact O-N 3.27Å |
| 101 | S | 95.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -65.5 | 120 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | D98 Y103 T104 | D98-S101 WeakPolarHBondContact OD2-CB 3.47Å; D98-S101 PolarHBondContact OD2-N 3.38Å; S101-Y103 PolarHBondContact O-N 2.7Å; S101-Y103 PolarHBondContact OG-N 3.03Å; S101-T104 WeakPolarHBondContact O-CB 3.48Å; S101-T104 PolarHBondContact O-N 2.66Å; S101-T104 VanDerWaalsContact O-N 3.11Å; S101-T104 PolarHBondContact O-OG1 3.35Å | ||
| 102 | D | 96.2 | Very high | 96.7 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -62.3 | -21.1 | 174.3 | -83.4 | -7.4 | 0 | 0 | 0 | 112.9 | N100 T104 L105 K122 | N100-D102 PolarHBondContact O-N 3.27Å; D102-T104 PolarHBondContact O-N 3.02Å; D102-L105 WeakPolarHBondContact O-CB 3.22Å; D102-L105 WeakPolarHBondContact O-CG 3.15Å; D102-L105 PolarHBondContact O-N 3.23Å; D102-K122 HydrophobicContact CB-CD 4.36Å; D102-K122 HydrophobicContact CB-CG 4.05Å; D102-K122 VanDerWaalsContact CG-CE 3.47Å; D102-K122 WeakPolarHBondContact OD2-CE 3.43Å; D102-K122 IonicContact OD2-NZ 3.24Å; D102-K122 PolarHBondContact OD2-NZ 3.05Å |
| 103 | Y | 97.9 | Very high | 96.6 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -72.7 | -6.9 | 177.5 | -55.6 | -57.7 | 0 | 0 | 0 | 112.9 | Q86 M87 P89 S101 K122 | Q86-Y103 WeakPolarHBondContact CA-O 3.46Å; M87-Y103 PolarHBondContact N-O 3.27Å; P89-Y103 HydrophobicContact CG-CD1 4.29Å; P89-Y103 HydrophobicContact CG-CE1 3.57Å; S101-Y103 PolarHBondContact O-N 2.7Å; S101-Y103 PolarHBondContact OG-N 3.03Å; Y103-K122 HydrophobicContact CD1-CB 3.95Å; Y103-K122 HydrophobicContact CD1-CG 4.2Å; Y103-K122 HydrophobicContact CE1-CB 4.21Å; Y103-K122 HydrophobicContact CE1-CG 4.45Å |
| 104 | T | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -88.3 | -2.7 | 174.4 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | R76 F84 L85 Q86 T96 S101 D102 F106 | R76-T104 WeakPolarHBondContact CD-OG1 3.36Å; R76-T104 PolarHBondContact NE-OG1 3.35Å; R76-T104 VanDerWaalsContact NE-OG1 3.09Å; F84-T104 HydrophobicContact CB-CG2 3.75Å; L85-T104 WeakPolarHBondContact O-CA 3.37Å; Q86-T104 HydrophobicContact CB-CG2 4.35Å; T96-T104 HydrophobicContact CG2-CG2 3.38Å; S101-T104 WeakPolarHBondContact O-CB 3.48Å; S101-T104 PolarHBondContact O-N 2.66Å; S101-T104 VanDerWaalsContact O-N 3.11Å; S101-T104 PolarHBondContact O-OG1 3.35Å; D102-T104 PolarHBondContact O-N 3.02Å; T104-F106 VanDerWaalsContact O-CD2 3.27Å; T104-F106 WeakPolarHBondContact O-CD2 3.35Å |
| 105 | L | 98.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | trans | -83.2 | 124.1 | -179.1 | -63.2 | 174.6 | 0 | 0 | 0 | 110.7 | V74 R76 D102 V121 I203 | V74-L105 HydrophobicContact CG1-CD2 4.28Å; R76-L105 HydrophobicContact CG-CD2 4.21Å; D102-L105 WeakPolarHBondContact O-CB 3.22Å; D102-L105 WeakPolarHBondContact O-CG 3.15Å; D102-L105 PolarHBondContact O-N 3.23Å; L105-V121 HydrophobicContact CB-CB 3.85Å; L105-V121 HydrophobicContact CB-CG2 3.75Å; L105-V121 WeakPolarHBondContact O-CG2 3.42Å; L105-V121 PolarHBondContact O-N 2.91Å; L105-I203 HydrophobicContact CD2-CD1 3.24Å | ||
| 106 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.4 | 176.4 | -68.8 | -89.9 | 0 | 0 | 0 | 112.1 | V74 T75 L85 M87 T104 I118 Q119 V127 | V74-F106 WeakPolarHBondContact CA-O 3.44Å; T75-F106 PolarHBondContact N-O 3.22Å; T75-F106 PolarHBondContact O-N 3.2Å; L85-F106 HydrophobicContact CB-CE2 4.01Å; L85-F106 HydrophobicContact CB-CZ 4.4Å; L85-F106 HydrophobicContact CD2-CE1 4.25Å; L85-F106 HydrophobicContact CD2-CE2 3.99Å; L85-F106 HydrophobicContact CD2-CZ 3.79Å; L85-F106 HydrophobicContact CG-CE2 3.94Å; L85-F106 HydrophobicContact CG-CZ 3.81Å; L85-F106 WeakPolarHBondContact O-CE2 3.44Å; M87-F106 HydrophobicContact CB-CE1 3.86Å; M87-F106 HydrophobicContact CB-CZ 3.77Å; M87-F106 HydrophobicContact CE-CE1 4.06Å; T104-F106 VanDerWaalsContact O-CD2 3.27Å; T104-F106 WeakPolarHBondContact O-CD2 3.35Å; F106-I118 HydrophobicContact CB-CG2 4.19Å; F106-I118 HydrophobicContact CD1-CG2 3.53Å; F106-I118 HydrophobicContact CE1-CG2 4.21Å; F106-I118 HydrophobicContact CG-CG2 4.05Å; F106-Q119 CarbonylContact C-O 3.46Å; F106-Q119 VanDerWaalsContact CA-O 3.22Å; F106-Q119 WeakPolarHBondContact CA-O 3.34Å; F106-V127 HydrophobicContact CE1-CG2 4.26Å |
| 107 | N | 97.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 117.1 | 162.8 | -57.9 | -34.9 | 0 | 0 | 0 | 108.3 | I109 Q119 V121 Y208 | N107-I109 HydrophobicContact CB-CD1 4.24Å; N107-I109 HydrophobicContact CB-CG1 4.04Å; N107-Q119 HydrophobicContact CB-CB 4.2Å; N107-Q119 PolarHBondContact N-O 2.85Å; N107-Q119 PolarHBondContact ND2-OE1 2.84Å; N107-Q119 VanDerWaalsContact ND2-OE1 3.1Å; N107-Q119 PolarHBondContact O-N 2.91Å; N107-V121 VanDerWaalsContact OD1-CG2 3.3Å; N107-V121 WeakPolarHBondContact OD1-CG2 3.46Å; N107-Y208 HydrophobicContact CB-CE1 3.72Å; N107-Y208 WeakPolarHBondContact CB-OH 3.28Å; N107-Y208 PolarHBondContact OD1-OH 2.87Å |
| 108 | L | 97.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 99.9 | 172.4 | -153.4 | 74.4 | 0 | 0 | 0 | 108.5 | G72 I73 T75 V116 I118 Y159 | G72-L108 WeakPolarHBondContact CA-O 3.21Å; I73-L108 HydrophobicContact CD1-CB 4.47Å; I73-L108 HydrophobicContact CD1-CD2 4.24Å; I73-L108 HydrophobicContact CG1-CB 3.79Å; I73-L108 HydrophobicContact CG1-CD2 4.4Å; I73-L108 PolarHBondContact N-O 3.15Å; I73-L108 PolarHBondContact O-N 2.91Å; T75-L108 HydrophobicContact CG2-CB 3.95Å; T75-L108 HydrophobicContact CG2-CD2 4.4Å; L108-V116 HydrophobicContact CD1-CB 4.37Å; L108-V116 HydrophobicContact CD1-CG2 4.16Å; L108-V116 HydrophobicContact CG-CB 4.29Å; L108-V116 HydrophobicContact CG-CG1 4.27Å; L108-I118 HydrophobicContact CD1-CG1 3.82Å; L108-Y159 HydrophobicContact CD1-CE1 4.4Å |
| 109 | I | 96.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.6 | -169.9 | -51.2 | 176 | 0 | 0 | 0 | 109 | L70 N107 V111 V116 A117 Y126 Y208 | L70-I109 HydrophobicContact CB-CG2 4.33Å; L70-I109 HydrophobicContact CD1-CG2 3.87Å; N107-I109 HydrophobicContact CB-CD1 4.24Å; N107-I109 HydrophobicContact CB-CG1 4.04Å; I109-V111 HydrophobicContact CG2-CG1 4.12Å; I109-V111 PolarHBondContact O-N 2.8Å; I109-V116 CarbonylContact O-C 3.5Å; I109-V116 VanDerWaalsContact O-CA 3.24Å; I109-V116 WeakPolarHBondContact O-CA 3.34Å; I109-A117 HydrophobicContact CB-CB 4.35Å; I109-A117 PolarHBondContact N-O 3.19Å; I109-A117 PolarHBondContact O-N 2.9Å; I109-Y126 HydrophobicContact CD1-CE1 4.39Å; I109-Y208 HydrophobicContact CB-CD2 4.44Å; I109-Y208 HydrophobicContact CD1-CD1 4.01Å; I109-Y208 HydrophobicContact CD1-CD2 4.5Å; I109-Y208 HydrophobicContact CD1-CE1 4.5Å; I109-Y208 HydrophobicContact CD1-CG 4Å; I109-Y208 HydrophobicContact CG1-CD1 4.15Å; I109-Y208 HydrophobicContact CG1-CD2 3.82Å; I109-Y208 HydrophobicContact CG1-CE1 4.43Å; I109-Y208 HydrophobicContact CG1-CE2 4.11Å; I109-Y208 HydrophobicContact CG1-CG 3.83Å; I109-Y208 HydrophobicContact CG2-CD2 4.31Å; I109-Y208 HydrophobicContact CG2-CG 4.31Å |
| 110 | P | 96.9 | Very high | 97.1 | Very high | 49 Ų | 49 | 43 Ų | 43 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 109 | 177.9 | 29.7 | -33 | 0 | 0 | 0 | 110.4 | L70 K71 | L70-P110 HydrophobicContact CB-CG 4.5Å; L70-P110 WeakPolarHBondContact CD1-O 3.31Å; K71-P110 VanDerWaalsContact O-CG 3.26Å; K71-P110 WeakPolarHBondContact O-CG 3.44Å |
| 111 | V | 96 | Very high | 97.2 | Very high | 34 Ų | 34 | 38.9 Ų | 38.9 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 9.5 | -178.1 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | L70 I109 V115 A117 F141 K146 P211 | L70-V111 HydrophobicContact CD1-CG1 4.5Å; I109-V111 HydrophobicContact CG2-CG1 4.12Å; I109-V111 PolarHBondContact O-N 2.8Å; V111-V115 HydrophobicContact CG2-CB 4.41Å; V111-V115 HydrophobicContact CG2-CG1 3.82Å; V111-V115 PolarHBondContact N-O 3.15Å; V111-A117 HydrophobicContact CG1-CB 3.9Å; V111-A117 HydrophobicContact CG2-CB 4.41Å; V111-F141 HydrophobicContact CB-CZ 4.17Å; V111-F141 HydrophobicContact CG1-CE2 4.44Å; V111-F141 HydrophobicContact CG1-CZ 3.94Å; V111-F141 HydrophobicContact CG2-CZ 4.14Å; V111-K146 HydrophobicContact CG2-CG 4.18Å; V111-P211 HydrophobicContact CG1-CG 3.96Å |
| 112 | G | 95.1 | Very high | 97.3 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 43% | 0.433 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.6 | -179.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R114 V115 | G112-R114 PolarHBondContact O-N 3.47Å; G112-V115 PolarHBondContact N-O 2.92Å; G112-V115 PolarHBondContact O-N 2.91Å; G112-V115 VanDerWaalsContact O-N 3.15Å |
| 113 | L | 95.4 | Very high | 97.3 | Very high | 165 Ų | 165 | 40.9 Ų | 40.9 | 86% | 0.864 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | 104.8 | 178.4 | -179.9 | 65.7 | 0 | 0 | 0 | 110.6 | V115 | L113-V115 PolarHBondContact O-N 2.98Š|
| 114 | R | 97.1 | Very high | 97.3 | Very high | 170 Ų | 170 | 39.9 Ų | 39.9 | 64% | 0.642 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 30.7 | -174.1 | -53.5 | -178.9 | 173.7 | -179.7 | -3.1 | 112.8 | G112 K148 E149 | G112-R114 PolarHBondContact O-N 3.47Å; R114-K148 WeakPolarHBondContact O-CA 3.15Å; R114-E149 HydrophobicContact CB-CG 4.2Å; R114-E149 PolarHBondContact O-N 3.28Å |
| 115 | V | 98.2 | Very high | 97.3 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.6 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | V111 G112 L113 K146 F147 T162 | V111-V115 HydrophobicContact CG2-CB 4.41Å; V111-V115 HydrophobicContact CG2-CG1 3.82Å; V111-V115 PolarHBondContact N-O 3.15Å; G112-V115 PolarHBondContact N-O 2.92Å; G112-V115 PolarHBondContact O-N 2.91Å; G112-V115 VanDerWaalsContact O-N 3.15Å; L113-V115 PolarHBondContact O-N 2.98Å; V115-K146 HydrophobicContact CG1-CB 3.77Å; V115-K146 HydrophobicContact CG1-CD 4.48Å; V115-K146 HydrophobicContact CG1-CG 4.26Å; V115-F147 CarbonylContact C-O 3.53Å; V115-F147 VanDerWaalsContact CA-O 3.3Å; V115-F147 WeakPolarHBondContact CA-O 3.23Å; V115-T162 HydrophobicContact CG1-CG2 3.94Å; V115-T162 HydrophobicContact CG2-CG2 4.23Å |
| 116 | V | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.5 | -179.1 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | L108 I109 I118 F147 E149 Y159 | L108-V116 HydrophobicContact CD1-CB 4.37Å; L108-V116 HydrophobicContact CD1-CG2 4.16Å; L108-V116 HydrophobicContact CG-CB 4.29Å; L108-V116 HydrophobicContact CG-CG1 4.27Å; I109-V116 CarbonylContact O-C 3.5Å; I109-V116 VanDerWaalsContact O-CA 3.24Å; I109-V116 WeakPolarHBondContact O-CA 3.34Å; V116-I118 HydrophobicContact CG2-CG1 4.29Å; V116-F147 HydrophobicContact CG2-CB 4.37Å; V116-F147 PolarHBondContact N-O 3.33Å; V116-F147 PolarHBondContact O-N 3.41Å; V116-E149 HydrophobicContact CG1-CG 4.39Å; V116-E149 WeakPolarHBondContact CG1-OE2 3.2Å; V116-E149 HydrophobicContact CG2-CB 4.41Å; V116-Y159 HydrophobicContact CG2-CD1 3.91Å; V116-Y159 HydrophobicContact CG2-CE1 3.85Å |
| 117 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 138.6 | 158 | 0 | 0 | 0 | 0 | 0 | 107.9 | I109 V111 Y126 F141 | I109-A117 HydrophobicContact CB-CB 4.35Å; I109-A117 PolarHBondContact N-O 3.19Å; I109-A117 PolarHBondContact O-N 2.9Å; V111-A117 HydrophobicContact CG1-CB 3.9Å; V111-A117 HydrophobicContact CG2-CB 4.41Å; A117-Y126 HydrophobicContact CB-CD1 4.13Å; A117-Y126 HydrophobicContact CB-CE1 4.16Å; A117-F141 HydrophobicContact CB-CD2 4.29Å; A117-F141 HydrophobicContact CB-CE2 3.63Å; A117-F141 HydrophobicContact CB-CZ 4.43Å |
| 118 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.5 | 178.5 | -54.4 | 172.3 | 0 | 0 | 0 | 106.2 | L77 F106 L108 V116 Y126 V127 F147 Y159 | L77-I118 HydrophobicContact CD1-CG2 4.41Å; F106-I118 HydrophobicContact CB-CG2 4.19Å; F106-I118 HydrophobicContact CD1-CG2 3.53Å; F106-I118 HydrophobicContact CE1-CG2 4.21Å; F106-I118 HydrophobicContact CG-CG2 4.05Å; L108-I118 HydrophobicContact CD1-CG1 3.82Å; V116-I118 HydrophobicContact CG2-CG1 4.29Å; I118-Y126 CarbonylContact O-C 3.56Å; I118-Y126 WeakPolarHBondContact O-CA 3.43Å; I118-V127 HydrophobicContact CB-CB 4.21Å; I118-V127 HydrophobicContact CB-CG2 4.07Å; I118-V127 HydrophobicContact CG2-CG2 3.84Å; I118-V127 PolarHBondContact O-N 3.17Å; I118-F147 HydrophobicContact CD1-CD2 4.11Å; I118-F147 HydrophobicContact CD1-CG 4.38Å; I118-F147 HydrophobicContact CG1-CD2 4.41Å; I118-Y159 HydrophobicContact CD1-CD1 4.1Å; I118-Y159 HydrophobicContact CD1-CE1 4.47Å; I118-Y159 HydrophobicContact CD1-CG 4.11Å |
| 119 | Q | 97.9 | Very high | 97.4 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.7 | -179.1 | -172.2 | -166.9 | 27.8 | 0 | 0 | 110.1 | F106 N107 V121 S124 L125 Y126 | F106-Q119 CarbonylContact C-O 3.46Å; F106-Q119 VanDerWaalsContact CA-O 3.22Å; F106-Q119 WeakPolarHBondContact CA-O 3.34Å; N107-Q119 HydrophobicContact CB-CB 4.2Å; N107-Q119 PolarHBondContact N-O 2.85Å; N107-Q119 PolarHBondContact ND2-OE1 2.84Å; N107-Q119 VanDerWaalsContact ND2-OE1 3.1Å; N107-Q119 PolarHBondContact O-N 2.91Å; Q119-V121 PolarHBondContact O-N 3.1Å; Q119-S124 PolarHBondContact NE2-O 3.1Å; Q119-L125 CarbonylContact C-O 3.53Å; Q119-L125 VanDerWaalsContact CA-O 3.3Å; Q119-L125 WeakPolarHBondContact CA-O 2.71Å; Q119-L125 WeakPolarHBondContact CG-O 3.44Å; Q119-Y126 HydrophobicContact CB-CD1 3.75Å; Q119-Y126 HydrophobicContact CB-CE1 3.83Å; Q119-Y126 HydrophobicContact CB-CG 4.48Å; Q119-Y126 HydrophobicContact CG-CD1 4.07Å; Q119-Y126 HydrophobicContact CG-CE1 4.05Å; Q119-Y126 HydrophobicContact CG-CG 4.41Å |
| 120 | G | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 128.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | S124 L125 | G120-S124 VanDerWaalsContact O-CA 3.26Å; G120-S124 WeakPolarHBondContact O-CA 3.47Å; G120-S124 PolarHBondContact O-N 3.4Å; G120-L125 PolarHBondContact N-O 3.38Å |
| 121 | V | 96.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 41 Ų | 41 | 30% | 0.303 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -48 | -176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | V74 L105 N107 Q119 | V74-V121 HydrophobicContact CG1-CG2 4.22Å; L105-V121 HydrophobicContact CB-CB 3.85Å; L105-V121 HydrophobicContact CB-CG2 3.75Å; L105-V121 WeakPolarHBondContact O-CG2 3.42Å; L105-V121 PolarHBondContact O-N 2.91Å; N107-V121 VanDerWaalsContact OD1-CG2 3.3Å; N107-V121 WeakPolarHBondContact OD1-CG2 3.46Å; Q119-V121 PolarHBondContact O-N 3.1Å |
| 122 | K | 96.6 | Very high | 97.4 | Very high | 110 Ų | 110 | 45.4 Ų | 45.4 | 48% | 0.478 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -44.8 | -177.6 | -70.3 | -66.6 | -168.6 | 175.6 | 0 | 112.9 | D102 Y103 S124 | D102-K122 HydrophobicContact CB-CD 4.36Å; D102-K122 HydrophobicContact CB-CG 4.05Å; D102-K122 VanDerWaalsContact CG-CE 3.47Å; D102-K122 WeakPolarHBondContact OD2-CE 3.43Å; D102-K122 IonicContact OD2-NZ 3.24Å; D102-K122 PolarHBondContact OD2-NZ 3.05Å; Y103-K122 HydrophobicContact CD1-CB 3.95Å; Y103-K122 HydrophobicContact CD1-CG 4.2Å; Y103-K122 HydrophobicContact CE1-CB 4.21Å; Y103-K122 HydrophobicContact CE1-CG 4.45Å; K122-S124 VanDerWaalsContact C-N 3.3Å |
| 123 | A | 96.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -22.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M87 H88 L125 | M87-A123 HydrophobicContact CG-CB 3.9Å; M87-A123 HydrophobicContact SD-CB 3.8Å; H88-A123 WeakPolarHBondContact O-CB 3.39Å; A123-L125 HydrophobicContact CB-CB 4.38Å; A123-L125 HydrophobicContact CB-CD1 4.24Å; A123-L125 HydrophobicContact CB-CG 4.21Å; A123-L125 PolarHBondContact O-N 3.13Å; A123-L125 VanDerWaalsContact O-N 3.14Å |
| 124 | S | 96.6 | Very high | 97.6 | Very high | 73 Ų | 73 | 41 Ų | 41 | 51% | 0.51 | 21% | 0.207 | S | C | . | . | trans | 58.3 | 16.5 | -171.6 | -59.3 | 0 | 0 | 0 | 0 | 114.6 | Q119 G120 K122 | Q119-S124 PolarHBondContact NE2-O 3.1Å; G120-S124 VanDerWaalsContact O-CA 3.26Å; G120-S124 WeakPolarHBondContact O-CA 3.47Å; G120-S124 PolarHBondContact O-N 3.4Å; K122-S124 VanDerWaalsContact C-N 3.3Å | ||
| 125 | L | 98.2 | Very high | 97.7 | Very high | 33 Ų | 33 | 34 Ų | 34 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -98.5 | 144.4 | 178.9 | -58.8 | 171.1 | 0 | 0 | 0 | 111 | M87 Q119 G120 A123 D139 | M87-L125 HydrophobicContact SD-CB 3.85Å; M87-L125 VanDerWaalsContact SD-O 3.38Å; Q119-L125 CarbonylContact C-O 3.53Å; Q119-L125 VanDerWaalsContact CA-O 3.3Å; Q119-L125 WeakPolarHBondContact CA-O 2.71Å; Q119-L125 WeakPolarHBondContact CG-O 3.44Å; G120-L125 PolarHBondContact N-O 3.38Å; A123-L125 HydrophobicContact CB-CB 4.38Å; A123-L125 HydrophobicContact CB-CD1 4.24Å; A123-L125 HydrophobicContact CB-CG 4.21Å; A123-L125 PolarHBondContact O-N 3.13Å; A123-L125 VanDerWaalsContact O-N 3.14Å; L125-D139 HydrophobicContact CD2-CB 3.78Å |
| 126 | Y | 98.3 | Very high | 97.6 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 11% | 0.106 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 142.2 | 170.6 | -65.3 | -80.3 | 0 | 0 | 0 | 110.8 | I109 A117 I118 Q119 S137 S138 F141 | I109-Y126 HydrophobicContact CD1-CE1 4.39Å; A117-Y126 HydrophobicContact CB-CD1 4.13Å; A117-Y126 HydrophobicContact CB-CE1 4.16Å; I118-Y126 CarbonylContact O-C 3.56Å; I118-Y126 WeakPolarHBondContact O-CA 3.43Å; Q119-Y126 HydrophobicContact CB-CD1 3.75Å; Q119-Y126 HydrophobicContact CB-CE1 3.83Å; Q119-Y126 HydrophobicContact CB-CG 4.48Å; Q119-Y126 HydrophobicContact CG-CD1 4.07Å; Q119-Y126 HydrophobicContact CG-CE1 4.05Å; Q119-Y126 HydrophobicContact CG-CG 4.41Å; Y126-S137 CarbonylContact O-C 3.45Å; Y126-S137 VanDerWaalsContact O-CA 3.24Å; Y126-S137 WeakPolarHBondContact O-CA 3.24Å; Y126-S138 PolarHBondContact N-O 2.88Å; Y126-S138 PolarHBondContact O-N 2.96Å; Y126-F141 HydrophobicContact CD1-CD2 4.21Å; Y126-F141 HydrophobicContact CD2-CB 4.39Å; Y126-F141 HydrophobicContact CE1-CD2 4.16Å; Y126-F141 HydrophobicContact CE2-CB 4.04Å; Y126-F141 HydrophobicContact CG-CD2 4.48Å |
| 127 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 135.1 | 162.2 | -175.4 | 0 | 0 | 0 | 0 | 108 | M87 I93 F106 I118 L135 C145 F147 L175 | M87-V127 HydrophobicContact CE-CG2 3.46Å; M87-V127 VanDerWaalsContact CE-CG2 3.46Å; I93-V127 HydrophobicContact CD1-CB 4.48Å; I93-V127 HydrophobicContact CD1-CG1 4.08Å; I93-V127 HydrophobicContact CD1-CG2 4.09Å; F106-V127 HydrophobicContact CE1-CG2 4.26Å; I118-V127 HydrophobicContact CB-CB 4.21Å; I118-V127 HydrophobicContact CB-CG2 4.07Å; I118-V127 HydrophobicContact CG2-CG2 3.84Å; I118-V127 PolarHBondContact O-N 3.17Å; V127-L135 HydrophobicContact CG1-CD2 4.01Å; V127-C145 WeakPolarHBondContact O-CA 2.97Å; V127-F147 HydrophobicContact CB-CE2 4.13Å; V127-F147 HydrophobicContact CG1-CE2 3.92Å; V127-F147 HydrophobicContact CG1-CZ 3.91Å; V127-F147 WeakPolarHBondContact O-CE2 3.49Å; V127-L175 HydrophobicContact CG1-CD1 3.79Å |
| 128 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L135 Y136 E144 | A128-L135 WeakPolarHBondContact O-CA 3.38Å; A128-Y136 HydrophobicContact CB-CD1 3.97Å; A128-Y136 HydrophobicContact CB-CD2 4.36Å; A128-Y136 HydrophobicContact CB-CE1 3.45Å; A128-Y136 VanDerWaalsContact CB-CE1 3.45Å; A128-Y136 HydrophobicContact CB-CE2 3.88Å; A128-Y136 HydrophobicContact CB-CG 4.39Å; A128-Y136 PolarHBondContact N-O 3.2Å; A128-Y136 WeakPolarHBondContact O-CD1 3.46Å; A128-Y136 PolarHBondContact O-N 2.92Å; A128-Y136 VanDerWaalsContact O-O 3.14Å; A128-E144 WeakPolarHBondContact CA-O 2.92Å; A128-E144 HydrophobicContact CB-CB 4.18Å |
| 129 | M | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.7 | 173.9 | -176.2 | -177.4 | -66 | 0 | 0 | 109.8 | Y134 L135 E144 F147 Y164 W173 | M129-Y134 WeakPolarHBondContact CA-O 3.28Å; M129-L135 HydrophobicContact CB-CD2 3.95Å; M129-L135 HydrophobicContact CE-CD2 3.86Å; M129-L135 HydrophobicContact CE-CG 4.17Å; M129-L135 HydrophobicContact CG-CD2 4.43Å; M129-E144 PolarHBondContact N-O 2.82Å; M129-E144 VanDerWaalsContact N-O 3.1Å; M129-E144 WeakPolarHBondContact O-CB 3.49Å; M129-F147 HydrophobicContact CB-CE1 4.28Å; M129-F147 HydrophobicContact CB-CZ 4.23Å; M129-F147 HydrophobicContact CE-CE1 4.27Å; M129-Y164 WeakPolarHBondContact O-CD2 3.3Å; M129-Y164 WeakPolarHBondContact O-CE2 3.24Å; M129-W173 HydrophobicContact CE-CB 4.44Å; M129-W173 HydrophobicContact SD-CB 3.7Å; M129-W173 HydrophobicContact SD-CE3 4.21Å |
| 130 | N | 96.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | trans | -81.9 | 170.6 | -179 | 75.2 | 10.5 | 0 | 0 | 0 | 113.1 | E132 G133 Y134 Y136 E144 Y164 | N130-E132 PolarHBondContact O-N 3.46Å; N130-E132 VanDerWaalsContact O-N 3.1Å; N130-E132 WeakPolarHBondContact OD1-CA 3.5Å; N130-E132 WeakPolarHBondContact OD1-CB 3.19Å; N130-E132 PolarHBondContact OD1-N 2.91Å; N130-G133 WeakPolarHBondContact O-CA 3.44Å; N130-G133 PolarHBondContact O-N 2.95Å; N130-G133 PolarHBondContact OD1-N 2.78Å; N130-Y134 PolarHBondContact N-O 3.39Å; N130-Y134 PolarHBondContact OD1-N 2.85Å; N130-Y134 PolarHBondContact OD1-O 2.87Å; N130-Y136 HydrophobicContact CB-CD1 4.11Å; N130-Y136 HydrophobicContact CB-CE1 3.82Å; N130-E144 WeakPolarHBondContact CA-OE1 3.28Å; N130-Y164 WeakPolarHBondContact O-CD2 3.47Å | ||
| 131 | G | 96.8 | Very high | 97.3 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y164 W173 | G131-Y164 VanDerWaalsContact CA-CE1 3.45Å; G131-Y164 VanDerWaalsContact CA-CZ 3.47Å; G131-W173 WeakPolarHBondContact O-CZ3 3.47Å |
| 132 | E | 96.7 | Very high | 97.3 | Very high | 125 Ų | 125 | 43.9 Ų | 43.9 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -12.3 | 172.3 | -63 | 178 | -177.9 | 0 | 0 | 112.2 | N130 Y134 K185 | N130-E132 PolarHBondContact O-N 3.46Å; N130-E132 VanDerWaalsContact O-N 3.1Å; N130-E132 WeakPolarHBondContact OD1-CA 3.5Å; N130-E132 WeakPolarHBondContact OD1-CB 3.19Å; N130-E132 PolarHBondContact OD1-N 2.91Å; E132-Y134 HydrophobicContact CB-CD2 3.7Å; E132-Y134 HydrophobicContact CB-CE2 3.9Å; E132-Y134 WeakPolarHBondContact OE2-CD2 3.37Å; E132-Y134 VanDerWaalsContact OE2-CE2 3.25Å; E132-Y134 WeakPolarHBondContact OE2-CE2 3.42Å; E132-K185 WeakPolarHBondContact O-CE 3.26Å; E132-K185 PolarHBondContact O-NZ 2.49Å |
| 133 | G | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 92.4 | 9.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N130 W173 K185 G186 | N130-G133 WeakPolarHBondContact O-CA 3.44Å; N130-G133 PolarHBondContact O-N 2.95Å; N130-G133 PolarHBondContact OD1-N 2.78Å; G133-W173 VanDerWaalsContact CA-CZ3 3.47Å; G133-W173 VanDerWaalsContact N-CZ3 3.32Å; G133-K185 CarbonylContact O-C 3.59Å; G133-K185 WeakPolarHBondContact O-CA 3.3Å; G133-K185 WeakPolarHBondContact O-CG 3.36Å; G133-G186 PolarHBondContact O-N 3.31Å |
| 134 | Y | 98 | Very high | 97.4 | Very high | 115 Ų | 115 | 39.9 Ų | 39.9 | 45% | 0.451 | 22% | 0.216 | S | C | . | . | trans | -78.9 | 136.5 | 172 | -63.5 | -73 | 0 | 0 | 0 | 110.2 | M129 N130 E132 K185 | M129-Y134 WeakPolarHBondContact CA-O 3.28Å; N130-Y134 PolarHBondContact N-O 3.39Å; N130-Y134 PolarHBondContact OD1-N 2.85Å; N130-Y134 PolarHBondContact OD1-O 2.87Å; E132-Y134 HydrophobicContact CB-CD2 3.7Å; E132-Y134 HydrophobicContact CB-CE2 3.9Å; E132-Y134 WeakPolarHBondContact OE2-CD2 3.37Å; E132-Y134 VanDerWaalsContact OE2-CE2 3.25Å; E132-Y134 WeakPolarHBondContact OE2-CE2 3.42Å; Y134-K185 HydrophobicContact CD1-CD 4.29Å; Y134-K185 HydrophobicContact CD1-CG 4.07Å; Y134-K185 HydrophobicContact CE1-CD 3.78Å; Y134-K185 HydrophobicContact CE1-CG 4.05Å; Y134-K185 PolarHBondContact OH-NZ 2.88Å | ||
| 135 | L | 98.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 136.4 | 168.8 | -73.2 | 157 | 0 | 0 | 0 | 108.3 | V127 A128 M129 F147 L175 I183 | V127-L135 HydrophobicContact CG1-CD2 4.01Å; A128-L135 WeakPolarHBondContact O-CA 3.38Å; M129-L135 HydrophobicContact CB-CD2 3.95Å; M129-L135 HydrophobicContact CE-CD2 3.86Å; M129-L135 HydrophobicContact CE-CG 4.17Å; M129-L135 HydrophobicContact CG-CD2 4.43Å; L135-F147 HydrophobicContact CD2-CE1 4.19Å; L135-F147 HydrophobicContact CD2-CZ 3.9Å; L135-L175 HydrophobicContact CD1-CD1 4.01Å; L135-L175 HydrophobicContact CD1-CG 4.43Å; L135-L175 HydrophobicContact CD2-CD1 3.89Å; L135-I183 HydrophobicContact CB-CD1 4.45Å; L135-I183 HydrophobicContact CB-CG1 3.89Å; L135-I183 HydrophobicContact CD1-CD1 3.54Å; L135-I183 HydrophobicContact CD1-CG1 3.63Å; L135-I183 HydrophobicContact CG-CG1 4.4Å |
| 136 | Y | 97.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 169.8 | 179 | 73.4 | -79.8 | 0 | 0 | 0 | 109.1 | A128 N130 E144 | A128-Y136 HydrophobicContact CB-CD1 3.97Å; A128-Y136 HydrophobicContact CB-CD2 4.36Å; A128-Y136 HydrophobicContact CB-CE1 3.45Å; A128-Y136 VanDerWaalsContact CB-CE1 3.45Å; A128-Y136 HydrophobicContact CB-CE2 3.88Å; A128-Y136 HydrophobicContact CB-CG 4.39Å; A128-Y136 PolarHBondContact N-O 3.2Å; A128-Y136 WeakPolarHBondContact O-CD1 3.46Å; A128-Y136 PolarHBondContact O-N 2.92Å; A128-Y136 VanDerWaalsContact O-O 3.14Å; N130-Y136 HydrophobicContact CB-CD1 4.11Å; N130-Y136 HydrophobicContact CB-CE1 3.82Å; Y136-E144 WeakPolarHBondContact CE1-OE2 3.37Å; Y136-E144 VanDerWaalsContact CZ-OE2 3.22Å; Y136-E144 PolarHBondContact OH-OE2 2.95Å |
| 137 | S | 97.7 | Very high | 97.5 | Very high | 33 Ų | 33 | 36 Ų | 36 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141 | 175.9 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | G91 Y126 | G91-S137 WeakPolarHBondContact CA-OG 3.38Å; G91-S137 WeakPolarHBondContact O-CB 3.48Å; G91-S137 PolarHBondContact O-OG 3.41Å; Y126-S137 CarbonylContact O-C 3.45Å; Y126-S137 VanDerWaalsContact O-CA 3.24Å; Y126-S137 WeakPolarHBondContact O-CA 3.24Å |
| 138 | S | 97.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.1 | 179.4 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | Y126 V140 | Y126-S138 PolarHBondContact N-O 2.88Å; Y126-S138 PolarHBondContact O-N 2.96Å; S138-V140 VanDerWaalsContact C-N 3.3Å; S138-V140 PolarHBondContact OG-N 3.18Å; S138-V140 PolarHBondContact OG-O 3.49Å |
| 139 | D | 96 | Very high | 97.5 | Very high | 124 Ų | 124 | 43 Ų | 43 | 66% | 0.663 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -75.6 | -21.7 | 172.2 | 58.9 | -21.2 | 0 | 0 | 0 | 112.6 | L125 | L125-D139 HydrophobicContact CD2-CB 3.78Š|
| 140 | V | 95.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -108.7 | 134.5 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | S138 T142 H214 | S138-V140 VanDerWaalsContact C-N 3.3Å; S138-V140 PolarHBondContact OG-N 3.18Å; S138-V140 PolarHBondContact OG-O 3.49Å; V140-T142 HydrophobicContact CG1-CG2 4.41Å; V140-T142 PolarHBondContact O-N 2.8Å; V140-T142 VanDerWaalsContact O-N 3.16Å; V140-H214 HydrophobicContact CG1-CB 3.47Å; V140-H214 VanDerWaalsContact CG1-CB 3.47Å; V140-H214 WeakPolarHBondContact CG1-ND1 3.46Å |
| 141 | F | 97.1 | Very high | 97.5 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | trans | -74.8 | 109.5 | 176.6 | -177.7 | -114 | 0 | 0 | 0 | 111.6 | V111 A117 Y126 C145 K146 P211 L213 H214 | V111-F141 HydrophobicContact CB-CZ 4.17Å; V111-F141 HydrophobicContact CG1-CE2 4.44Å; V111-F141 HydrophobicContact CG1-CZ 3.94Å; V111-F141 HydrophobicContact CG2-CZ 4.14Å; A117-F141 HydrophobicContact CB-CD2 4.29Å; A117-F141 HydrophobicContact CB-CE2 3.63Å; A117-F141 HydrophobicContact CB-CZ 4.43Å; Y126-F141 HydrophobicContact CD1-CD2 4.21Å; Y126-F141 HydrophobicContact CD2-CB 4.39Å; Y126-F141 HydrophobicContact CE1-CD2 4.16Å; Y126-F141 HydrophobicContact CE2-CB 4.04Å; Y126-F141 HydrophobicContact CG-CD2 4.48Å; F141-C145 HydrophobicContact CD2-CB 3.67Å; F141-C145 HydrophobicContact CE2-CB 3.75Å; F141-K146 HydrophobicContact CE2-CG 4.27Å; F141-K146 HydrophobicContact CZ-CD 4.39Å; F141-K146 HydrophobicContact CZ-CG 3.86Å; F141-P211 HydrophobicContact CB-CB 3.84Å; F141-P211 HydrophobicContact CD1-CB 3.61Å; F141-P211 HydrophobicContact CD1-CG 3.57Å; F141-P211 HydrophobicContact CD2-CB 4.3Å; F141-P211 HydrophobicContact CD2-CG 4.22Å; F141-P211 HydrophobicContact CE1-CB 4.2Å; F141-P211 HydrophobicContact CE1-CG 3.63Å; F141-P211 HydrophobicContact CE2-CG 4.3Å; F141-P211 HydrophobicContact CG-CB 3.65Å; F141-P211 HydrophobicContact CG-CG 3.88Å; F141-P211 HydrophobicContact CZ-CG 4Å; F141-L213 HydrophobicContact CD1-CB 4.44Å; F141-L213 HydrophobicContact CD1-CD1 3.99Å; F141-L213 HydrophobicContact CE1-CD1 3.8Å; F141-H214 PolarHBondContact O-N 3.11Å | ||
| 142 | T | 97 | Very high | 97.5 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | trans | -114 | 166.2 | 178.3 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | V140 E144 C145 | V140-T142 HydrophobicContact CG1-CG2 4.41Å; V140-T142 PolarHBondContact O-N 2.8Å; V140-T142 VanDerWaalsContact O-N 3.16Å; T142-E144 PolarHBondContact O-N 3.23Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E144 PolarHBondContact OG1-N 3.24Å; T142-C145 PolarHBondContact N-SG 3.1Å; T142-C145 VanDerWaalsContact O-CB 3.26Å; T142-C145 WeakPolarHBondContact O-CB 3.42Å; T142-C145 PolarHBondContact O-N 2.91Å; T142-C145 PolarHBondContact OG1-SG 2.81Å; T142-C145 VanDerWaalsContact OG1-SG 3.4Å | ||
| 143 | P | 97.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -53.5 | -26.6 | 168 | -28.6 | 34.9 | 0 | 0 | 0 | 114.6 | C145 K146 L163 L213 H214 I216 | P143-C145 PolarHBondContact O-N 3.41Å; P143-K146 WeakPolarHBondContact O-CB 3.32Å; P143-K146 PolarHBondContact O-N 3.2Å; P143-L163 HydrophobicContact CB-CD1 3.87Å; P143-L163 HydrophobicContact CB-CD2 4.43Å; P143-L213 HydrophobicContact CG-CD1 3.96Å; P143-H214 WeakPolarHBondContact CD-O 3.16Å; P143-I216 HydrophobicContact CB-CD1 4.27Å; P143-I216 HydrophobicContact CG-CD1 4.45Å |
| 144 | E | 98 | Very high | 97 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -70.9 | -18.7 | 175.9 | -62.3 | -166.4 | 151.7 | 0 | 0 | 113 | A128 M129 N130 Y136 T142 K146 L163 Y164 I216 | A128-E144 WeakPolarHBondContact CA-O 2.92Å; A128-E144 HydrophobicContact CB-CB 4.18Å; M129-E144 PolarHBondContact N-O 2.82Å; M129-E144 VanDerWaalsContact N-O 3.1Å; M129-E144 WeakPolarHBondContact O-CB 3.49Å; N130-E144 WeakPolarHBondContact CA-OE1 3.28Å; Y136-E144 WeakPolarHBondContact CE1-OE2 3.37Å; Y136-E144 VanDerWaalsContact CZ-OE2 3.22Å; Y136-E144 PolarHBondContact OH-OE2 2.95Å; T142-E144 PolarHBondContact O-N 3.23Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E144 PolarHBondContact OG1-N 3.24Å; E144-K146 PolarHBondContact O-N 3.04Å; E144-L163 HydrophobicContact CG-CD1 4.02Å; E144-Y164 HydrophobicContact CG-CE2 4.02Å; E144-Y164 PolarHBondContact OE1-OH 3.47Å; E144-I216 HydrophobicContact CG-CD1 3.53Å; E144-I216 HydrophobicContact CG-CG1 4.25Å |
| 145 | C | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -79.5 | -6.3 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 113 | V127 F141 T142 P143 F147 | V127-C145 WeakPolarHBondContact O-CA 2.97Å; F141-C145 HydrophobicContact CD2-CB 3.67Å; F141-C145 HydrophobicContact CE2-CB 3.75Å; T142-C145 PolarHBondContact N-SG 3.1Å; T142-C145 VanDerWaalsContact O-CB 3.26Å; T142-C145 WeakPolarHBondContact O-CB 3.42Å; T142-C145 PolarHBondContact O-N 2.91Å; T142-C145 PolarHBondContact OG1-SG 2.81Å; T142-C145 VanDerWaalsContact OG1-SG 3.4Å; P143-C145 PolarHBondContact O-N 3.41Å; C145-F147 WeakPolarHBondContact O-CD2 3.48Å |
| 146 | K | 98.3 | Very high | 96.9 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 22% | 0.222 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.8 | -177 | -66.5 | -176.2 | -179.4 | -179.5 | 0 | 110.3 | V111 V115 F141 P143 E144 T162 | V111-K146 HydrophobicContact CG2-CG 4.18Å; V115-K146 HydrophobicContact CG1-CB 3.77Å; V115-K146 HydrophobicContact CG1-CD 4.48Å; V115-K146 HydrophobicContact CG1-CG 4.26Å; F141-K146 HydrophobicContact CE2-CG 4.27Å; F141-K146 HydrophobicContact CZ-CD 4.39Å; F141-K146 HydrophobicContact CZ-CG 3.86Å; P143-K146 WeakPolarHBondContact O-CB 3.32Å; P143-K146 PolarHBondContact O-N 3.2Å; E144-K146 PolarHBondContact O-N 3.04Å; K146-T162 HydrophobicContact CB-CG2 4.02Å; K146-T162 WeakPolarHBondContact CB-OG1 3.24Å; K146-T162 WeakPolarHBondContact O-CG2 3.39Å; K146-T162 PolarHBondContact O-N 2.75Å; K146-T162 PolarHBondContact O-OG1 2.82Å |
| 147 | F | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128 | 173.7 | -68.6 | -86.4 | 0 | 0 | 0 | 110.8 | V115 V116 I118 V127 M129 L135 C145 E149 Y159 S160 L175 | V115-F147 CarbonylContact C-O 3.53Å; V115-F147 VanDerWaalsContact CA-O 3.3Å; V115-F147 WeakPolarHBondContact CA-O 3.23Å; V116-F147 HydrophobicContact CG2-CB 4.37Å; V116-F147 PolarHBondContact N-O 3.33Å; V116-F147 PolarHBondContact O-N 3.41Å; I118-F147 HydrophobicContact CD1-CD2 4.11Å; I118-F147 HydrophobicContact CD1-CG 4.38Å; I118-F147 HydrophobicContact CG1-CD2 4.41Å; V127-F147 HydrophobicContact CB-CE2 4.13Å; V127-F147 HydrophobicContact CG1-CE2 3.92Å; V127-F147 HydrophobicContact CG1-CZ 3.91Å; V127-F147 WeakPolarHBondContact O-CE2 3.49Å; M129-F147 HydrophobicContact CB-CE1 4.28Å; M129-F147 HydrophobicContact CB-CZ 4.23Å; M129-F147 HydrophobicContact CE-CE1 4.27Å; L135-F147 HydrophobicContact CD2-CE1 4.19Å; L135-F147 HydrophobicContact CD2-CZ 3.9Å; C145-F147 WeakPolarHBondContact O-CD2 3.48Å; F147-E149 PolarHBondContact O-N 3.49Å; F147-Y159 HydrophobicContact CB-CD1 4.43Å; F147-S160 CarbonylContact C-O 3.55Å; F147-S160 VanDerWaalsContact CA-O 3.28Å; F147-S160 WeakPolarHBondContact CA-O 3.41Å; F147-L175 HydrophobicContact CE1-CB 4.43Å |
| 148 | K | 98.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 114.1 | 165.9 | 179.2 | 178.3 | -178.2 | 176.1 | 0 | 108.7 | R114 S160 T162 | R114-K148 WeakPolarHBondContact O-CA 3.15Å; K148-S160 PolarHBondContact N-O 2.82Å; K148-S160 PolarHBondContact O-N 3.16Å; K148-S160 PolarHBondContact O-OG 3.41Å; K148-S160 VanDerWaalsContact O-OG 3.13Å; K148-T162 HydrophobicContact CB-CG2 4.16Å |
| 149 | E | 97.8 | Very high | 97 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 142.4 | 170.4 | 65.9 | -177.1 | -178.8 | 0 | 0 | 110.2 | R114 V116 F147 V157 I158 Y159 | R114-E149 HydrophobicContact CB-CG 4.2Å; R114-E149 PolarHBondContact O-N 3.28Å; V116-E149 HydrophobicContact CG1-CG 4.39Å; V116-E149 WeakPolarHBondContact CG1-OE2 3.2Å; V116-E149 HydrophobicContact CG2-CB 4.41Å; F147-E149 PolarHBondContact O-N 3.49Å; E149-V157 HydrophobicContact CB-CG1 4.23Å; E149-I158 WeakPolarHBondContact CA-O 3.25Å; E149-Y159 HydrophobicContact CB-CD1 3.94Å; E149-Y159 HydrophobicContact CB-CE1 3.83Å |
| 150 | S | 97.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 146.8 | 175.8 | -70.2 | 0 | 0 | 0 | 0 | 109.6 | V157 I158 | S150-V157 WeakPolarHBondContact O-CA 3.41Å; S150-I158 PolarHBondContact N-O 3.18Å; S150-I158 WeakPolarHBondContact O-CG1 3.43Å; S150-I158 PolarHBondContact O-N 3.44Å |
| 151 | V | 97.7 | Very high | 97.2 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 52% | 0.515 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137 | 173 | -172.2 | 0 | 0 | 0 | 0 | 109 | N154 Y156 | V151-N154 VanDerWaalsContact CG1-CA 3.5Å; V151-Y156 CarbonylContact C-O 3.47Å; V151-Y156 VanDerWaalsContact CA-O 3.29Å; V151-Y156 WeakPolarHBondContact CA-O 3.37Å |
| 152 | F | 96.9 | Very high | 97.2 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.9 | 172.9 | -177.7 | -112.4 | 0 | 0 | 0 | 109.9 | N154 Y155 Y156 I158 K191 T192 H197 | F152-N154 PolarHBondContact O-N 3.06Å; F152-Y155 PolarHBondContact O-N 2.94Å; F152-Y156 HydrophobicContact CD1-CD2 4.48Å; F152-Y156 PolarHBondContact N-O 2.83Å; F152-Y156 PolarHBondContact O-N 2.91Å; F152-I158 HydrophobicContact CB-CD1 4.46Å; F152-I158 HydrophobicContact CB-CG2 3.95Å; F152-K191 HydrophobicContact CD2-CD 4.17Å; F152-K191 HydrophobicContact CD2-CG 3.72Å; F152-K191 HydrophobicContact CE2-CG 3.96Å; F152-K191 HydrophobicContact CG-CG 4.38Å; F152-T192 HydrophobicContact CE2-CG2 4.28Å; F152-T192 HydrophobicContact CZ-CG2 4.11Å; F152-H197 AromaticContact CD1-CD2 3.85Å; F152-H197 AromaticContact CD1-CE1 3.44Å; F152-H197 VanDerWaalsContact CD1-CE1 3.44Å; F152-H197 WeakPolarHBondContact CD1-CE1 3.47Å; F152-H197 AromaticContact CD1-NE2 3.16Å; F152-H197 WeakPolarHBondContact CD1-NE2 3.42Å; F152-H197 AromaticContact CE1-CE1 3.39Å; F152-H197 WeakPolarHBondContact CE1-CE1 3.49Å; F152-H197 AromaticContact CE1-NE2 3.36Å; F152-H197 WeakPolarHBondContact CE1-NE2 3.46Å |
| 153 | E | 92.8 | Very high | 97.2 | Very high | 148 Ų | 148 | 49.7 Ų | 49.7 | 69% | 0.692 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 29 | -177.1 | -68.5 | 178.1 | 178.1 | 0 | 0 | 114.1 | Y155 | E153-Y155 PolarHBondContact O-N 2.77Š|
| 154 | N | 89.8 | Confident | 97.3 | Very high | 159 Ų | 159 | 50.8 Ų | 50.8 | 85% | 0.85 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 16.6 | -177.4 | -118.3 | 36.1 | 0 | 0 | 0 | 115.5 | V151 F152 | V151-N154 VanDerWaalsContact CG1-CA 3.5Å; F152-N154 PolarHBondContact O-N 3.06Å |
| 155 | Y | 95.5 | Very high | 97.2 | Very high | 156 Ų | 156 | 55.1 Ų | 55.1 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -56.1 | -177.2 | -177 | -106.5 | 0 | 0 | 0 | 113.2 | F152 E153 V199 | F152-Y155 PolarHBondContact O-N 2.94Å; E153-Y155 PolarHBondContact O-N 2.77Å; Y155-V199 HydrophobicContact CE1-CG2 4.22Å |
| 156 | Y | 98.1 | Very high | 97.1 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 149.3 | -176.6 | -63.9 | -68.1 | 0 | 0 | 0 | 112 | Q80 V151 F152 H197 V199 | Q80-Y156 HydrophobicContact CB-CE1 4.08Å; Q80-Y156 VanDerWaalsContact CD-OH 3.31Å; Q80-Y156 HydrophobicContact CG-CE1 4.16Å; Q80-Y156 PolarHBondContact NE2-OH 2.82Å; Q80-Y156 VanDerWaalsContact NE2-OH 3.17Å; V151-Y156 CarbonylContact C-O 3.47Å; V151-Y156 VanDerWaalsContact CA-O 3.29Å; V151-Y156 WeakPolarHBondContact CA-O 3.37Å; F152-Y156 HydrophobicContact CD1-CD2 4.48Å; F152-Y156 PolarHBondContact N-O 2.83Å; F152-Y156 PolarHBondContact O-N 2.91Å; Y156-H197 HydrophobicContact CD1-CB 3.7Å; Y156-H197 HydrophobicContact CD2-CB 4.12Å; Y156-H197 AromaticContact CD2-CG 3.86Å; Y156-H197 AromaticContact CD2-ND1 3.54Å; Y156-H197 HydrophobicContact CE1-CB 4.26Å; Y156-H197 AromaticContact CE2-ND1 3.83Å; Y156-H197 HydrophobicContact CG-CB 3.61Å; Y156-H197 AromaticContact CG-CG 3.8Å; Y156-H197 AromaticContact CG-ND1 3.95Å; Y156-V199 HydrophobicContact CD1-CG2 3.9Å; Y156-V199 HydrophobicContact CE1-CG2 4.08Å |
| 157 | V | 98.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.7 | 167.8 | -173.5 | 0 | 0 | 0 | 0 | 109 | E149 S150 Y159 F198 P200 | E149-V157 HydrophobicContact CB-CG1 4.23Å; S150-V157 WeakPolarHBondContact O-CA 3.41Å; V157-Y159 HydrophobicContact CB-CE2 4.49Å; V157-Y159 HydrophobicContact CG1-CE1 3.88Å; V157-Y159 HydrophobicContact CG1-CE2 3.98Å; V157-F198 PolarHBondContact N-O 2.94Å; V157-F198 PolarHBondContact O-N 3.01Å; V157-P200 HydrophobicContact CB-CG 4.23Å; V157-P200 HydrophobicContact CG2-CG 3.88Å |
| 158 | I | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140.3 | 174.1 | 69.8 | -173.1 | 0 | 0 | 0 | 109.1 | E149 S150 F152 F174 K191 S196 | E149-I158 WeakPolarHBondContact CA-O 3.25Å; S150-I158 PolarHBondContact N-O 3.18Å; S150-I158 WeakPolarHBondContact O-CG1 3.43Å; S150-I158 PolarHBondContact O-N 3.44Å; F152-I158 HydrophobicContact CB-CD1 4.46Å; F152-I158 HydrophobicContact CB-CG2 3.95Å; I158-F174 HydrophobicContact CB-CD1 4.15Å; I158-F174 HydrophobicContact CB-CE1 4.27Å; I158-F174 HydrophobicContact CD1-CD1 4.26Å; I158-F174 HydrophobicContact CD1-CE1 3.52Å; I158-F174 HydrophobicContact CD1-CZ 4.19Å; I158-F174 HydrophobicContact CG1-CD1 4.23Å; I158-F174 HydrophobicContact CG1-CE1 3.86Å; I158-K191 HydrophobicContact CD1-CB 4.18Å; I158-K191 HydrophobicContact CD1-CD 3.44Å; I158-K191 VanDerWaalsContact CD1-CD 3.44Å; I158-K191 HydrophobicContact CD1-CG 3.49Å; I158-K191 VanDerWaalsContact CD1-CG 3.49Å; I158-S196 WeakPolarHBondContact CG2-O 3.47Å |
| 159 | Y | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.6 | 179.7 | -59.4 | -78.9 | 0 | 0 | 0 | 109.2 | L77 L108 V116 I118 F147 E149 V157 F174 L175 F198 | L77-Y159 HydrophobicContact CD1-CE2 4.17Å; L77-Y159 HydrophobicContact CD2-CE2 4.18Å; L77-Y159 WeakPolarHBondContact CD2-OH 3.32Å; L108-Y159 HydrophobicContact CD1-CE1 4.4Å; V116-Y159 HydrophobicContact CG2-CD1 3.91Å; V116-Y159 HydrophobicContact CG2-CE1 3.85Å; I118-Y159 HydrophobicContact CD1-CD1 4.1Å; I118-Y159 HydrophobicContact CD1-CE1 4.47Å; I118-Y159 HydrophobicContact CD1-CG 4.11Å; F147-Y159 HydrophobicContact CB-CD1 4.43Å; E149-Y159 HydrophobicContact CB-CD1 3.94Å; E149-Y159 HydrophobicContact CB-CE1 3.83Å; V157-Y159 HydrophobicContact CB-CE2 4.49Å; V157-Y159 HydrophobicContact CG1-CE1 3.88Å; V157-Y159 HydrophobicContact CG1-CE2 3.98Å; Y159-F174 CarbonylContact O-C 3.55Å; Y159-F174 VanDerWaalsContact O-CA 3.29Å; Y159-F174 WeakPolarHBondContact O-CA 3.26Å; Y159-L175 HydrophobicContact CD2-CD2 3.95Å; Y159-L175 HydrophobicContact CG-CD2 4.48Å; Y159-L175 PolarHBondContact O-N 3.28Å; Y159-F198 HydrophobicContact CD2-CD2 4.18Å; Y159-F198 HydrophobicContact CE2-CB 4.15Å; Y159-F198 HydrophobicContact CE2-CD2 4.43Å; Y159-F198 HydrophobicContact CE2-CG 4.42Å |
| 160 | S | 98.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.2 | -179.3 | 50.6 | 0 | 0 | 0 | 0 | 112 | F147 K148 T162 W173 | F147-S160 CarbonylContact C-O 3.55Å; F147-S160 VanDerWaalsContact CA-O 3.28Å; F147-S160 WeakPolarHBondContact CA-O 3.41Å; K148-S160 PolarHBondContact N-O 2.82Å; K148-S160 PolarHBondContact O-N 3.16Å; K148-S160 PolarHBondContact O-OG 3.41Å; K148-S160 VanDerWaalsContact O-OG 3.13Å; S160-T162 PolarHBondContact O-N 3.04Å; S160-W173 CarbonylContact C-O 3.48Å; S160-W173 WeakPolarHBondContact CA-O 3.48Å; S160-W173 WeakPolarHBondContact CB-O 3.48Å |
| 161 | S | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137 | 170.6 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | L163 Y164 W173 | S161-L163 VanDerWaalsContact C-N 3.28Å; S161-L163 PolarHBondContact OG-N 3.39Å; S161-L163 VanDerWaalsContact OG-N 3.13Å; S161-Y164 WeakPolarHBondContact OG-CD2 3.39Å; S161-Y164 PolarHBondContact OG-N 3.07Å; S161-W173 PolarHBondContact N-O 2.84Å |
| 162 | T | 97.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 71.7 Ų | 71.7 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -22.1 | 171.1 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | V115 K146 K148 S160 | V115-T162 HydrophobicContact CG1-CG2 3.94Å; V115-T162 HydrophobicContact CG2-CG2 4.23Å; K146-T162 HydrophobicContact CB-CG2 4.02Å; K146-T162 WeakPolarHBondContact CB-OG1 3.24Å; K146-T162 WeakPolarHBondContact O-CG2 3.39Å; K146-T162 PolarHBondContact O-N 2.75Å; K146-T162 PolarHBondContact O-OG1 2.82Å; K148-T162 HydrophobicContact CB-CG2 4.16Å; S160-T162 PolarHBondContact O-N 3.04Å |
| 163 | L | 97.1 | Very high | 96.5 | Very high | 77 Ų | 77 | 72 Ų | 72 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -45.1 | -174 | -59.4 | 176.7 | 0 | 0 | 0 | 112.5 | P143 E144 S161 I216 | P143-L163 HydrophobicContact CB-CD1 3.87Å; P143-L163 HydrophobicContact CB-CD2 4.43Å; E144-L163 HydrophobicContact CG-CD1 4.02Å; S161-L163 VanDerWaalsContact C-N 3.28Å; S161-L163 PolarHBondContact OG-N 3.39Å; S161-L163 VanDerWaalsContact OG-N 3.13Å; L163-I216 HydrophobicContact CD1-CD1 4.21Å |
| 164 | Y | 97.7 | Very high | 96.7 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.7 | -163.2 | -53.9 | -57.9 | 0 | 0 | 0 | 113.5 | M129 N130 G131 E144 S161 W173 | M129-Y164 WeakPolarHBondContact O-CD2 3.3Å; M129-Y164 WeakPolarHBondContact O-CE2 3.24Å; N130-Y164 WeakPolarHBondContact O-CD2 3.47Å; G131-Y164 VanDerWaalsContact CA-CE1 3.45Å; G131-Y164 VanDerWaalsContact CA-CZ 3.47Å; E144-Y164 HydrophobicContact CG-CE2 4.02Å; E144-Y164 PolarHBondContact OE1-OH 3.47Å; S161-Y164 WeakPolarHBondContact OG-CD2 3.39Å; S161-Y164 PolarHBondContact OG-N 3.07Å; Y164-W173 VanDerWaalsContact CB-CE3 3.44Å; Y164-W173 HydrophobicContact CG-CE3 4.39Å; Y164-W173 HydrophobicContact CG-CZ3 4.33Å; Y164-W173 PolarHBondContact O-N 3.14Å |
| 165 | R | 97.3 | Very high | 97.1 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 157.4 | -177.3 | -57.4 | 179.3 | 176.1 | -85.5 | -16.4 | 108.8 | Q167 R171 | R165-Q167 PolarHBondContact O-N 2.74Å; R165-R171 CarbonylContact C-O 3.56Å; R165-R171 WeakPolarHBondContact CA-O 3.45Å |
| 166 | Q | 96.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | trans | -62 | 127.8 | 168.8 | -164.5 | 71.4 | 47.4 | 0 | 0 | 109.4 | S169 G170 R171 | Q166-S169 WeakPolarHBondContact CB-OG 3.35Å; Q166-S169 WeakPolarHBondContact CG-OG 3.29Å; Q166-G170 WeakPolarHBondContact O-CA 3.32Å; Q166-G170 PolarHBondContact O-N 3.1Å; Q166-R171 HydrophobicContact CB-CB 4.18Å; Q166-R171 PolarHBondContact N-O 3.34Å | ||
| 167 | Q | 93 | Very high | 97.3 | Very high | 190 Ų | 190 | 48.4 Ų | 48.4 | 89% | 0.888 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -46 | -174.8 | -69.5 | -179 | -19.6 | 0 | 0 | 112.9 | R165 | R165-Q167 PolarHBondContact O-N 2.74Š|
| 168 | E | 94.4 | Very high | 97.3 | Very high | 189 Ų | 189 | 48.7 Ų | 48.7 | 88% | 0.883 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -47.7 | -176.1 | -63.6 | 173.4 | 178.8 | 0 | 0 | 113.1 | ||
| 169 | S | 95 | Very high | 97.2 | Very high | 82 Ų | 82 | 56 Ų | 56 | 57% | 0.573 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -10.4 | -174.2 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | Q166 R171 | Q166-S169 WeakPolarHBondContact CB-OG 3.35Å; Q166-S169 WeakPolarHBondContact CG-OG 3.29Å; S169-R171 PolarHBondContact O-N 3.27Å; S169-R171 VanDerWaalsContact O-N 3.1Å |
| 170 | G | 96.1 | Very high | 97.2 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | trans | 66.6 | 5.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q166 A172 | Q166-G170 WeakPolarHBondContact O-CA 3.32Å; Q166-G170 PolarHBondContact O-N 3.1Å; G170-A172 PolarHBondContact O-N 3.13Å | ||
| 171 | R | 96.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 61.5 Ų | 61.5 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 126.3 | -177.5 | -178.5 | 176.4 | 59 | 82.8 | -1 | 110.7 | R165 Q166 S169 N187 V189 | R165-R171 CarbonylContact C-O 3.56Å; R165-R171 WeakPolarHBondContact CA-O 3.45Å; Q166-R171 HydrophobicContact CB-CB 4.18Å; Q166-R171 PolarHBondContact N-O 3.34Å; S169-R171 PolarHBondContact O-N 3.27Å; S169-R171 VanDerWaalsContact O-N 3.1Å; R171-N187 PolarHBondContact NH1-O 2.89Å; R171-N187 PolarHBondContact NH2-O 2.88Å; R171-V189 PolarHBondContact NH1-O 2.92Å |
| 172 | A | 97.7 | Very high | 97.1 | Very high | 11 Ų | 11 | 67.2 Ų | 67.2 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 152 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G170 F174 | G170-A172 PolarHBondContact O-N 3.13Å; A172-F174 HydrophobicContact CB-CE1 4.39Å; A172-F174 HydrophobicContact CB-CE2 3.84Å; A172-F174 HydrophobicContact CB-CZ 3.72Å; A172-F174 VanDerWaalsContact O-CD2 3.29Å; A172-F174 WeakPolarHBondContact O-CD2 3.43Å; A172-F174 WeakPolarHBondContact O-CE2 3.42Å |
| 173 | W | 98.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 67.6 Ų | 67.6 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 141.1 | 170.4 | -64 | -1.8 | 0 | 0 | 0 | 109.5 | M129 G131 G133 S160 S161 Y164 G186 N187 | M129-W173 HydrophobicContact CE-CB 4.44Å; M129-W173 HydrophobicContact SD-CB 3.7Å; M129-W173 HydrophobicContact SD-CE3 4.21Å; G131-W173 WeakPolarHBondContact O-CZ3 3.47Å; G133-W173 VanDerWaalsContact CA-CZ3 3.47Å; G133-W173 VanDerWaalsContact N-CZ3 3.32Å; S160-W173 CarbonylContact C-O 3.48Å; S160-W173 WeakPolarHBondContact CA-O 3.48Å; S160-W173 WeakPolarHBondContact CB-O 3.48Å; S161-W173 PolarHBondContact N-O 2.84Å; Y164-W173 VanDerWaalsContact CB-CE3 3.44Å; Y164-W173 HydrophobicContact CG-CE3 4.39Å; Y164-W173 HydrophobicContact CG-CZ3 4.33Å; Y164-W173 PolarHBondContact O-N 3.14Å; W173-G186 WeakPolarHBondContact CA-O 3.36Å; W173-N187 HydrophobicContact CD2-CB 3.84Å; W173-N187 VanDerWaalsContact CE2-CB 3.49Å; W173-N187 HydrophobicContact CG-CB 4.1Å; W173-N187 HydrophobicContact CZ2-CB 3.89Å |
| 174 | F | 98.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.2 | -167.4 | -64.5 | -88 | 0 | 0 | 0 | 112 | I158 Y159 A172 G186 V189 K191 | I158-F174 HydrophobicContact CB-CD1 4.15Å; I158-F174 HydrophobicContact CB-CE1 4.27Å; I158-F174 HydrophobicContact CD1-CD1 4.26Å; I158-F174 HydrophobicContact CD1-CE1 3.52Å; I158-F174 HydrophobicContact CD1-CZ 4.19Å; I158-F174 HydrophobicContact CG1-CD1 4.23Å; I158-F174 HydrophobicContact CG1-CE1 3.86Å; Y159-F174 CarbonylContact O-C 3.55Å; Y159-F174 VanDerWaalsContact O-CA 3.29Å; Y159-F174 WeakPolarHBondContact O-CA 3.26Å; A172-F174 HydrophobicContact CB-CE1 4.39Å; A172-F174 HydrophobicContact CB-CE2 3.84Å; A172-F174 HydrophobicContact CB-CZ 3.72Å; A172-F174 VanDerWaalsContact O-CD2 3.29Å; A172-F174 WeakPolarHBondContact O-CD2 3.43Å; A172-F174 WeakPolarHBondContact O-CE2 3.42Å; F174-G186 PolarHBondContact N-O 3.1Å; F174-G186 VanDerWaalsContact N-O 3.14Å; F174-G186 WeakPolarHBondContact O-CA 3.38Å; F174-V189 HydrophobicContact CB-CB 3.92Å; F174-V189 HydrophobicContact CB-CG1 3.57Å; F174-V189 WeakPolarHBondContact O-CB 3.27Å; F174-V189 WeakPolarHBondContact O-CG2 3.49Å; F174-K191 HydrophobicContact CE1-CB 4.34Å; F174-K191 HydrophobicContact CE2-CB 3.9Å; F174-K191 HydrophobicContact CZ-CB 3.71Å; F174-K191 HydrophobicContact CZ-CD 4.42Å; F174-K191 HydrophobicContact CZ-CG 4.48Å |
| 175 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -61.9 | 136.7 | 159 | -178.6 | 103.4 | 0 | 0 | 0 | 108.8 | L85 V127 L135 F147 Y159 F198 | L85-L175 HydrophobicContact CD2-CD2 4.39Å; V127-L175 HydrophobicContact CG1-CD1 3.79Å; L135-L175 HydrophobicContact CD1-CD1 4.01Å; L135-L175 HydrophobicContact CD1-CG 4.43Å; L135-L175 HydrophobicContact CD2-CD1 3.89Å; F147-L175 HydrophobicContact CE1-CB 4.43Å; Y159-L175 HydrophobicContact CD2-CD2 3.95Å; Y159-L175 HydrophobicContact CG-CD2 4.48Å; Y159-L175 PolarHBondContact O-N 3.28Å; L175-F198 HydrophobicContact CD2-CD2 4.25Å; L175-F198 HydrophobicContact CD2-CE1 4.4Å; L175-F198 HydrophobicContact CD2-CE2 3.62Å; L175-F198 HydrophobicContact CD2-CZ 3.69Å; L175-F198 HydrophobicContact CG-CE2 4.32Å; L175-F198 HydrophobicContact CG-CZ 4.36Å | ||
| 176 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -173.2 | 159 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | M184 S195 | G176-M184 WeakPolarHBondContact O-CB 3.25Å; G176-M184 PolarHBondContact O-N 3.12Å; G176-S195 CarbonylContact C-O 3.57Å; G176-S195 WeakPolarHBondContact CA-O 3.17Å | ||
| 177 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -111.3 | 145.6 | 177.9 | -61.7 | 178.3 | 0 | 0 | 0 | 111 | Q81 L85 Q182 I183 S195 F198 | Q81-L177 PolarHBondContact NE2-O 3.3Å; L85-L177 HydrophobicContact CD1-CD1 4.45Å; L85-L177 HydrophobicContact CD1-CD2 4.16Å; L177-Q182 CarbonylContact C-O 3.49Å; L177-Q182 VanDerWaalsContact CA-O 3.32Å; L177-Q182 WeakPolarHBondContact CA-O 3.45Å; L177-I183 HydrophobicContact CD2-CD1 3.95Å; L177-S195 PolarHBondContact N-O 3.14Å; L177-S195 WeakPolarHBondContact O-CA 3.46Å; L177-S195 WeakPolarHBondContact O-CB 3.35Å; L177-F198 HydrophobicContact CD1-CE1 4.43Å; L177-F198 HydrophobicContact CG-CZ 4.37Å |
| 178 | N | 97.8 | Very high | 97.5 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | trans | -77.2 | -174.6 | 170.5 | 69.3 | 6.9 | 0 | 0 | 0 | 110.8 | Q81 E180 G181 Q182 M184 | Q81-N178 WeakPolarHBondContact CG-O 3.29Å; Q81-N178 VanDerWaalsContact NE2-C 3.31Å; Q81-N178 PolarHBondContact NE2-O 2.98Å; N178-E180 WeakPolarHBondContact CB-OE2 3.45Å; N178-E180 PolarHBondContact ND2-OE2 2.86Å; N178-E180 VanDerWaalsContact ND2-OE2 3.1Å; N178-E180 PolarHBondContact O-N 3.31Å; N178-E180 WeakPolarHBondContact OD1-CA 3.46Å; N178-E180 WeakPolarHBondContact OD1-CB 3.42Å; N178-E180 PolarHBondContact OD1-N 3.01Å; N178-E180 VanDerWaalsContact OD1-N 3.07Å; N178-E180 PolarHBondContact OD1-OE2 3.07Å; N178-G181 PolarHBondContact O-N 3.19Å; N178-G181 PolarHBondContact OD1-N 2.83Å; N178-Q182 PolarHBondContact N-O 3.42Å; N178-Q182 PolarHBondContact ND2-OE1 2.84Å; N178-Q182 VanDerWaalsContact ND2-OE1 3.13Å; N178-Q182 WeakPolarHBondContact OD1-CA 3.27Å; N178-Q182 PolarHBondContact OD1-N 3.04Å; N178-Q182 PolarHBondContact OD1-O 3.04Å; N178-M184 HydrophobicContact CB-CG 3.85Å; N178-M184 HydrophobicContact CB-SD 3.96Å | ||
| 179 | K | 97.7 | Very high | 97.7 | Very high | 156 Ų | 156 | 50.3 Ų | 50.3 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -17.7 | -178.6 | -67.2 | -179.1 | 177.8 | -176.6 | 0 | 112 | Y83 G181 | Y83-K179 WeakPolarHBondContact CE2-O 3.42Å; Y83-K179 PolarHBondContact OH-O 2.74Å; K179-G181 VanDerWaalsContact C-N 3.35Å |
| 180 | E | 97.7 | Very high | 97.8 | Very high | 120 Ų | 120 | 51.5 Ų | 51.5 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.4 | -179 | -57.1 | 69 | -148.7 | 0 | 0 | 111.9 | N178 Q182 | N178-E180 WeakPolarHBondContact CB-OE2 3.45Å; N178-E180 PolarHBondContact ND2-OE2 2.86Å; N178-E180 VanDerWaalsContact ND2-OE2 3.1Å; N178-E180 PolarHBondContact O-N 3.31Å; N178-E180 WeakPolarHBondContact OD1-CA 3.46Å; N178-E180 WeakPolarHBondContact OD1-CB 3.42Å; N178-E180 PolarHBondContact OD1-N 3.01Å; N178-E180 VanDerWaalsContact OD1-N 3.07Å; N178-E180 PolarHBondContact OD1-OE2 3.07Å; E180-Q182 HydrophobicContact CB-CG 4.42Å |
| 181 | G | 97.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 82.9 | 8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D94 G95 N178 K179 | D94-G181 CarbonylContact C-O 3.57Å; G95-G181 VanDerWaalsContact CA-O 3.27Å; G95-G181 WeakPolarHBondContact CA-O 3.21Å; G95-G181 PolarHBondContact N-O 3.45Å; N178-G181 PolarHBondContact O-N 3.19Å; N178-G181 PolarHBondContact OD1-N 2.83Å; K179-G181 VanDerWaalsContact C-N 3.35Å |
| 182 | Q | 98.2 | Very high | 97.9 | Very high | 119 Ų | 119 | 54.6 Ų | 54.6 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | B | Isolated β-bridge | trans | -90.4 | 150.9 | 179.8 | -52 | 173 | -40.9 | 0 | 0 | 112 | L177 N178 E180 | L177-Q182 CarbonylContact C-O 3.49Å; L177-Q182 VanDerWaalsContact CA-O 3.32Å; L177-Q182 WeakPolarHBondContact CA-O 3.45Å; N178-Q182 PolarHBondContact N-O 3.42Å; N178-Q182 PolarHBondContact ND2-OE1 2.84Å; N178-Q182 VanDerWaalsContact ND2-OE1 3.13Å; N178-Q182 WeakPolarHBondContact OD1-CA 3.27Å; N178-Q182 PolarHBondContact OD1-N 3.04Å; N178-Q182 PolarHBondContact OD1-O 3.04Å; E180-Q182 HydrophobicContact CB-CG 4.42Å |
| 183 | I | 98 | Very high | 97.9 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 30% | 0.297 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 134.1 | 178.6 | -159.2 | 63.7 | 0 | 0 | 0 | 111.9 | I93 L135 L177 | I93-I183 HydrophobicContact CG2-CD1 4.04Å; I93-I183 WeakPolarHBondContact O-CB 3.22Å; L135-I183 HydrophobicContact CB-CD1 4.45Å; L135-I183 HydrophobicContact CB-CG1 3.89Å; L135-I183 HydrophobicContact CD1-CD1 3.54Å; L135-I183 HydrophobicContact CD1-CG1 3.63Å; L135-I183 HydrophobicContact CG-CG1 4.4Å; L177-I183 HydrophobicContact CD2-CD1 3.95Å |
| 184 | M | 98.2 | Very high | 97.9 | Very high | 45 Ų | 45 | 60.7 Ų | 60.7 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 146.6 | 179.1 | -66.9 | -174.7 | 72.9 | 0 | 0 | 111.9 | G176 N178 G186 R188 V189 S195 | G176-M184 WeakPolarHBondContact O-CB 3.25Å; G176-M184 PolarHBondContact O-N 3.12Å; N178-M184 HydrophobicContact CB-CG 3.85Å; N178-M184 HydrophobicContact CB-SD 3.96Å; M184-G186 PolarHBondContact O-N 2.91Å; M184-R188 HydrophobicContact CE-CB 4.28Å; M184-V189 HydrophobicContact CB-CG2 3.44Å; M184-V189 VanDerWaalsContact CB-CG2 3.44Å; M184-V189 HydrophobicContact CG-CG2 4.39Å; M184-V189 HydrophobicContact SD-CG2 4.22Å; M184-S195 VanDerWaalsContact SD-CB 3.52Å |
| 185 | K | 98 | Very high | 97.9 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 21% | 0.213 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 127.3 | 167.3 | -161.9 | 179.6 | 177 | 160 | 0 | 110.2 | E132 G133 Y134 N187 R188 V189 | E132-K185 WeakPolarHBondContact O-CE 3.26Å; E132-K185 PolarHBondContact O-NZ 2.49Å; G133-K185 CarbonylContact O-C 3.59Å; G133-K185 WeakPolarHBondContact O-CA 3.3Å; G133-K185 WeakPolarHBondContact O-CG 3.36Å; Y134-K185 HydrophobicContact CD1-CD 4.29Å; Y134-K185 HydrophobicContact CD1-CG 4.07Å; Y134-K185 HydrophobicContact CE1-CD 3.78Å; Y134-K185 HydrophobicContact CE1-CG 4.05Å; Y134-K185 PolarHBondContact OH-NZ 2.88Å; K185-N187 VanDerWaalsContact C-N 3.26Å; K185-N187 VanDerWaalsContact CD-OD1 3.23Å; K185-N187 WeakPolarHBondContact CD-OD1 3.33Å; K185-N187 WeakPolarHBondContact CG-OD1 3.43Å; K185-N187 PolarHBondContact O-N 2.76Å; K185-N187 VanDerWaalsContact O-N 3.13Å; K185-R188 HydrophobicContact CB-CG 4.31Å; K185-R188 WeakPolarHBondContact O-CA 3.49Å; K185-R188 VanDerWaalsContact O-CB 3.31Å; K185-R188 WeakPolarHBondContact O-CB 3.26Å; K185-R188 PolarHBondContact O-N 3.49Å; K185-V189 PolarHBondContact O-N 3.02Å |
| 186 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G133 W173 F174 M184 R188 V189 | G133-G186 PolarHBondContact O-N 3.31Å; W173-G186 WeakPolarHBondContact CA-O 3.36Å; F174-G186 PolarHBondContact N-O 3.1Å; F174-G186 VanDerWaalsContact N-O 3.14Å; F174-G186 WeakPolarHBondContact O-CA 3.38Å; M184-G186 PolarHBondContact O-N 2.91Å; G186-R188 VanDerWaalsContact C-N 3.28Å; G186-R188 PolarHBondContact O-N 2.85Å; G186-V189 PolarHBondContact O-N 2.93Å |
| 187 | N | 97 | Very high | 97.9 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.6 | 173.9 | 69.4 | -27.9 | 0 | 0 | 0 | 113.4 | R171 W173 K185 | R171-N187 PolarHBondContact NH1-O 2.89Å; R171-N187 PolarHBondContact NH2-O 2.88Å; W173-N187 HydrophobicContact CD2-CB 3.84Å; W173-N187 VanDerWaalsContact CE2-CB 3.49Å; W173-N187 HydrophobicContact CG-CB 4.1Å; W173-N187 HydrophobicContact CZ2-CB 3.89Å; K185-N187 VanDerWaalsContact C-N 3.26Å; K185-N187 VanDerWaalsContact CD-OD1 3.23Å; K185-N187 WeakPolarHBondContact CD-OD1 3.33Å; K185-N187 WeakPolarHBondContact CG-OD1 3.43Å; K185-N187 PolarHBondContact O-N 2.76Å; K185-N187 VanDerWaalsContact O-N 3.13Å |
| 188 | R | 97.9 | Very high | 97.9 | Very high | 181 Ų | 181 | 60.9 Ų | 60.9 | 68% | 0.683 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -18.8 | 175.9 | -61.9 | -177 | 172.7 | 179.8 | -2.2 | 112.9 | M184 K185 G186 | M184-R188 HydrophobicContact CE-CB 4.28Å; K185-R188 HydrophobicContact CB-CG 4.31Å; K185-R188 WeakPolarHBondContact O-CA 3.49Å; K185-R188 VanDerWaalsContact O-CB 3.31Å; K185-R188 WeakPolarHBondContact O-CB 3.26Å; K185-R188 PolarHBondContact O-N 3.49Å; G186-R188 VanDerWaalsContact C-N 3.28Å; G186-R188 PolarHBondContact O-N 2.85Å |
| 189 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -79.4 | 132.1 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | R171 F174 M184 K185 G186 S196 | R171-V189 PolarHBondContact NH1-O 2.92Å; F174-V189 HydrophobicContact CB-CB 3.92Å; F174-V189 HydrophobicContact CB-CG1 3.57Å; F174-V189 WeakPolarHBondContact O-CB 3.27Å; F174-V189 WeakPolarHBondContact O-CG2 3.49Å; M184-V189 HydrophobicContact CB-CG2 3.44Å; M184-V189 VanDerWaalsContact CB-CG2 3.44Å; M184-V189 HydrophobicContact CG-CG2 4.39Å; M184-V189 HydrophobicContact SD-CG2 4.22Å; K185-V189 PolarHBondContact O-N 3.02Å; G186-V189 PolarHBondContact O-N 2.93Å; V189-S196 VanDerWaalsContact CG1-CB 3.45Å | ||
| 190 | K | 97.4 | Very high | 97.9 | Very high | 106 Ų | 106 | 55.6 Ų | 55.6 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | trans | -119.8 | 134.2 | -177.2 | -64.8 | -178.3 | -178.8 | -178.6 | 0 | 109.8 | T192 K193 S196 | K190-T192 PolarHBondContact O-N 2.76Å; K190-T192 VanDerWaalsContact O-N 3.08Å; K190-K193 HydrophobicContact CB-CB 4.21Å; K190-K193 HydrophobicContact CB-CG 3.81Å; K190-K193 HydrophobicContact CD-CG 4.36Å; K190-K193 WeakPolarHBondContact O-CB 3.38Å; K190-K193 PolarHBondContact O-N 2.83Å; K190-S196 PolarHBondContact O-OG 2.88Å | ||
| 191 | K | 97.1 | Very high | 97.8 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.2 | 178 | 171.7 | 168.3 | 179.9 | 177.3 | 0 | 114.8 | F152 I158 F174 K193 H197 | F152-K191 HydrophobicContact CD2-CD 4.17Å; F152-K191 HydrophobicContact CD2-CG 3.72Å; F152-K191 HydrophobicContact CE2-CG 3.96Å; F152-K191 HydrophobicContact CG-CG 4.38Å; I158-K191 HydrophobicContact CD1-CB 4.18Å; I158-K191 HydrophobicContact CD1-CD 3.44Å; I158-K191 VanDerWaalsContact CD1-CD 3.44Å; I158-K191 HydrophobicContact CD1-CG 3.49Å; I158-K191 VanDerWaalsContact CD1-CG 3.49Å; F174-K191 HydrophobicContact CE1-CB 4.34Å; F174-K191 HydrophobicContact CE2-CB 3.9Å; F174-K191 HydrophobicContact CZ-CB 3.71Å; F174-K191 HydrophobicContact CZ-CD 4.42Å; F174-K191 HydrophobicContact CZ-CG 4.48Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K191-H197 PolarHBondContact O-NE2 3.04Å |
| 192 | T | 96.7 | Very high | 97.8 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.7 | -179.2 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | F152 K190 | F152-T192 HydrophobicContact CE2-CG2 4.28Å; F152-T192 HydrophobicContact CZ-CG2 4.11Å; K190-T192 PolarHBondContact O-N 2.76Å; K190-T192 VanDerWaalsContact O-N 3.08Å |
| 193 | K | 98 | Very high | 97.7 | Very high | 116 Ų | 116 | 56.4 Ų | 56.4 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -112.8 | 142.4 | -177.1 | -66 | -63.2 | -174.9 | -176.2 | 0 | 110.4 | K190 K191 S195 S196 H197 | K190-K193 HydrophobicContact CB-CB 4.21Å; K190-K193 HydrophobicContact CB-CG 3.81Å; K190-K193 HydrophobicContact CD-CG 4.36Å; K190-K193 WeakPolarHBondContact O-CB 3.38Å; K190-K193 PolarHBondContact O-N 2.83Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K193-S195 PolarHBondContact O-N 3.45Å; K193-S196 PolarHBondContact O-N 2.96Å; K193-S196 PolarHBondContact O-OG 2.74Å; K193-H197 PolarHBondContact O-CD2 3.12Å; K193-H197 PolarHBondContact O-NE2 2.89Å |
| 194 | P | 98.1 | Very high | 97.6 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -52.4 | -26.8 | 178.3 | -30 | 36.1 | 0 | 0 | 0 | 114.8 | Q80 S196 H197 | Q80-P194 HydrophobicContact CB-CB 4.23Å; Q80-P194 HydrophobicContact CG-CB 4.09Å; P194-S196 PolarHBondContact O-N 2.75Å; P194-S196 VanDerWaalsContact O-N 3.13Å; P194-H197 PolarHBondContact O-N 3.01Å; P194-H197 VanDerWaalsContact O-N 3.1Å |
| 195 | S | 98.2 | Very high | 97.5 | Very high | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.4 | -27.1 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | G176 L177 M184 K193 | G176-S195 CarbonylContact C-O 3.57Å; G176-S195 WeakPolarHBondContact CA-O 3.17Å; L177-S195 PolarHBondContact N-O 3.14Å; L177-S195 WeakPolarHBondContact O-CA 3.46Å; L177-S195 WeakPolarHBondContact O-CB 3.35Å; M184-S195 VanDerWaalsContact SD-CB 3.52Å; K193-S195 PolarHBondContact O-N 3.45Å |
| 196 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -93.8 | -7.9 | -179.5 | 71.9 | 0 | 0 | 0 | 0 | 114.5 | I158 V189 K190 K193 P194 F198 | I158-S196 WeakPolarHBondContact CG2-O 3.47Å; V189-S196 VanDerWaalsContact CG1-CB 3.45Å; K190-S196 PolarHBondContact O-OG 2.88Å; K193-S196 PolarHBondContact O-N 2.96Å; K193-S196 PolarHBondContact O-OG 2.74Å; P194-S196 PolarHBondContact O-N 2.75Å; P194-S196 VanDerWaalsContact O-N 3.13Å; S196-F198 WeakPolarHBondContact O-CD2 3.45Å |
| 197 | H | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | trans | -94.5 | 122.7 | -166.9 | -63.8 | 172.4 | 0 | 0 | 0 | 111 | S79 Q80 F152 Y156 K191 K193 P194 | S79-H197 WeakPolarHBondContact CA-O 3.3Å; Q80-H197 HydrophobicContact CB-CB 3.85Å; Q80-H197 PolarHBondContact N-O 3.46Å; Q80-H197 PolarHBondContact OE1-ND1 3.45Å; F152-H197 AromaticContact CD1-CD2 3.85Å; F152-H197 AromaticContact CD1-CE1 3.44Å; F152-H197 VanDerWaalsContact CD1-CE1 3.44Å; F152-H197 WeakPolarHBondContact CD1-CE1 3.47Å; F152-H197 AromaticContact CD1-NE2 3.16Å; F152-H197 WeakPolarHBondContact CD1-NE2 3.42Å; F152-H197 AromaticContact CE1-CE1 3.39Å; F152-H197 WeakPolarHBondContact CE1-CE1 3.49Å; F152-H197 AromaticContact CE1-NE2 3.36Å; F152-H197 WeakPolarHBondContact CE1-NE2 3.46Å; Y156-H197 HydrophobicContact CD1-CB 3.7Å; Y156-H197 HydrophobicContact CD2-CB 4.12Å; Y156-H197 AromaticContact CD2-CG 3.86Å; Y156-H197 AromaticContact CD2-ND1 3.54Å; Y156-H197 HydrophobicContact CE1-CB 4.26Å; Y156-H197 AromaticContact CE2-ND1 3.83Å; Y156-H197 HydrophobicContact CG-CB 3.61Å; Y156-H197 AromaticContact CG-CG 3.8Å; Y156-H197 AromaticContact CG-ND1 3.95Å; K191-H197 PolarHBondContact O-NE2 3.04Å; K193-H197 PolarHBondContact O-CD2 3.12Å; K193-H197 PolarHBondContact O-NE2 2.89Å; P194-H197 PolarHBondContact O-N 3.01Å; P194-H197 VanDerWaalsContact O-N 3.1Å | ||
| 198 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.1 | 175.6 | -65.1 | -92 | 0 | 0 | 0 | 111 | L77 F78 L85 V157 Y159 L175 L177 S196 | L77-F198 HydrophobicContact CB-CD1 4.03Å; F78-F198 CarbonylContact O-C 3.57Å; F78-F198 VanDerWaalsContact O-CA 3.28Å; F78-F198 WeakPolarHBondContact O-CA 3.41Å; L85-F198 HydrophobicContact CB-CE1 4.47Å; V157-F198 PolarHBondContact N-O 2.94Å; V157-F198 PolarHBondContact O-N 3.01Å; Y159-F198 HydrophobicContact CD2-CD2 4.18Å; Y159-F198 HydrophobicContact CE2-CB 4.15Å; Y159-F198 HydrophobicContact CE2-CD2 4.43Å; Y159-F198 HydrophobicContact CE2-CG 4.42Å; L175-F198 HydrophobicContact CD2-CD2 4.25Å; L175-F198 HydrophobicContact CD2-CE1 4.4Å; L175-F198 HydrophobicContact CD2-CE2 3.62Å; L175-F198 HydrophobicContact CD2-CZ 3.69Å; L175-F198 HydrophobicContact CG-CE2 4.32Å; L175-F198 HydrophobicContact CG-CZ 4.36Å; L177-F198 HydrophobicContact CD1-CE1 4.43Å; L177-F198 HydrophobicContact CG-CZ 4.37Å; S196-F198 WeakPolarHBondContact O-CD2 3.45Å |
| 199 | V | 98 | Very high | 96.3 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 106.9 | 169.3 | -179.1 | 0 | 0 | 0 | 0 | 106.6 | F78 Y155 Y156 K201 | F78-V199 PolarHBondContact N-O 3.32Å; F78-V199 PolarHBondContact O-N 2.76Å; Y155-V199 HydrophobicContact CE1-CG2 4.22Å; Y156-V199 HydrophobicContact CD1-CG2 3.9Å; Y156-V199 HydrophobicContact CE1-CG2 4.08Å; V199-K201 PolarHBondContact O-N 2.83Å |
| 200 | P | 97.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 69 Ų | 69 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 131.1 | 171.3 | -21.6 | 33.9 | 0 | 0 | 0 | 110 | L77 V157 P202 | L77-P200 HydrophobicContact CD2-CB 4.05Å; L77-P200 HydrophobicContact CD2-CG 4.03Å; V157-P200 HydrophobicContact CB-CG 4.23Å; V157-P200 HydrophobicContact CG2-CG 3.88Å; P200-P202 WeakPolarHBondContact O-CD 3.26Å |
| 201 | K | 96.9 | Very high | 95.4 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 88.9 | 169.1 | -64.6 | -165 | -172.8 | -174.1 | 0 | 108.5 | T75 R76 F84 E99 V199 | T75-K201 WeakPolarHBondContact CA-O 3.41Å; T75-K201 PolarHBondContact OG1-N 3.23Å; T75-K201 PolarHBondContact OG1-O 2.97Å; R76-K201 HydrophobicContact CB-CB 4.43Å; R76-K201 PolarHBondContact N-O 3.45Å; R76-K201 PolarHBondContact O-N 2.99Å; F84-K201 HydrophobicContact CE1-CD 4.08Å; E99-K201 IonicContact OE1-NZ 3.57Å; E99-K201 PolarHBondContact OE1-NZ 3.21Å; V199-K201 PolarHBondContact O-N 2.83Å |
| 202 | P | 96.5 | Very high | 94.9 | Very high | 89 Ų | 89 | 64.6 Ų | 64.6 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.7 | 179.3 | -20.9 | 33 | 0 | 0 | 0 | 111.2 | I73 P200 | I73-P202 HydrophobicContact CD1-CB 4.07Å; I73-P202 HydrophobicContact CD1-CG 4Å; P200-P202 WeakPolarHBondContact O-CD 3.26Å |
| 203 | I | 96 | Very high | 94.6 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -56.8 | 176.4 | -61 | 171.4 | 0 | 0 | 0 | 108.8 | V74 R76 L105 | V74-I203 HydrophobicContact CG1-CD1 4.48Å; V74-I203 PolarHBondContact O-N 3.09Å; R76-I203 HydrophobicContact CG-CD1 4.24Å; R76-I203 VanDerWaalsContact NH1-CD1 3.27Å; L105-I203 HydrophobicContact CD2-CD1 3.24Å |
| 204 | E | 95.7 | Very high | 93.7 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 163.2 | -178.6 | 60.1 | 174.5 | -172.6 | 0 | 0 | 111.9 | I73 V74 | I73-E204 CarbonylContact C-O 3.4Å; I73-E204 VanDerWaalsContact CA-O 3.25Å; I73-E204 WeakPolarHBondContact CA-O 3.45Å; I73-E204 WeakPolarHBondContact CB-O 3.49Å; V74-E204 HydrophobicContact CB-CG 3.8Å; V74-E204 HydrophobicContact CG2-CG 3.89Å; V74-E204 PolarHBondContact N-O 3.29Å; V74-E204 PolarHBondContact O-N 2.9Å |
| 205 | V | 96.5 | Very high | 93.1 | Very high | 90 Ų | 90 | 69.9 Ų | 69.9 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.3 | 178.4 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | K71 I73 | K71-V205 HydrophobicContact CD-CG1 4.25Å; K71-V205 HydrophobicContact CG-CG1 3.83Å; I73-V205 HydrophobicContact CG2-CG2 4.07Å |
| 206 | C | 93.7 | Very high | 92 | Very high | 30 Ų | 30 | 73.1 Ų | 73.1 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.6 | -176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | G72 Y208 | G72-C206 PolarHBondContact N-O 2.97Å; G72-C206 PolarHBondContact O-N 3.26Å; C206-Y208 HydrophobicContact CB-CE1 4.38Å; C206-Y208 HydrophobicContact CB-CE2 3.97Å |
| 207 | M | 93.3 | Very high | 90.2 | Very high | 111 Ų | 111 | 76 Ų | 76 | 55% | 0.547 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.6 | 171.3 | -65.2 | -59.4 | -178.9 | 0 | 0 | 109.1 | Q69 K71 | Q69-M207 HydrophobicContact CB-CB 4.29Å; Q69-M207 HydrophobicContact CB-SD 4.44Å; K71-M207 HydrophobicContact CB-CE 4.29Å; K71-M207 HydrophobicContact CB-SD 3.86Å; K71-M207 HydrophobicContact CD-CE 4.42Å; K71-M207 HydrophobicContact CG-CE 4.18Å; K71-M207 HydrophobicContact CG-SD 4.17Å |
| 208 | Y | 90.4 | Very high | 87.9 | Confident | 29 Ų | 29 | 84.6 Ų | 84.6 | 11% | 0.114 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.8 | 176.9 | -60.6 | -76.5 | 0 | 0 | 0 | 110.4 | Q69 L70 I73 V74 N107 I109 C206 | Q69-Y208 CarbonylContact C-O 3.54Å; Q69-Y208 WeakPolarHBondContact CA-O 3.38Å; L70-Y208 PolarHBondContact N-O 2.7Å; L70-Y208 PolarHBondContact O-N 3.21Å; I73-Y208 PolarHBondContact O-OH 2.99Å; V74-Y208 WeakPolarHBondContact CG2-OH 3Å; N107-Y208 HydrophobicContact CB-CE1 3.72Å; N107-Y208 WeakPolarHBondContact CB-OH 3.28Å; N107-Y208 PolarHBondContact OD1-OH 2.87Å; I109-Y208 HydrophobicContact CB-CD2 4.44Å; I109-Y208 HydrophobicContact CD1-CD1 4.01Å; I109-Y208 HydrophobicContact CD1-CD2 4.5Å; I109-Y208 HydrophobicContact CD1-CE1 4.5Å; I109-Y208 HydrophobicContact CD1-CG 4Å; I109-Y208 HydrophobicContact CG1-CD1 4.15Å; I109-Y208 HydrophobicContact CG1-CD2 3.82Å; I109-Y208 HydrophobicContact CG1-CE1 4.43Å; I109-Y208 HydrophobicContact CG1-CE2 4.11Å; I109-Y208 HydrophobicContact CG1-CG 3.83Å; I109-Y208 HydrophobicContact CG2-CD2 4.31Å; I109-Y208 HydrophobicContact CG2-CG 4.31Å; C206-Y208 HydrophobicContact CB-CE1 4.38Å; C206-Y208 HydrophobicContact CB-CE2 3.97Å |
| 209 | R | 89.1 | Confident | 85.3 | Confident | 162 Ų | 162 | 94.2 Ų | 94.2 | 61% | 0.611 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 142.2 | 165.1 | -171.9 | -176.3 | 177.4 | 123.6 | 14 | 108.7 | E67 P211 | E67-R209 IonicContact OE1-CZ 3.46Å; E67-R209 VanDerWaalsContact OE1-CZ 3.24Å; E67-R209 IonicContact OE1-NH1 3.98Å; E67-R209 PolarHBondContact OE1-NH1 3.08Å; E67-R209 IonicContact OE1-NH2 2.94Å; E67-R209 PolarHBondContact OE1-NH2 3.48Å; E67-R209 IonicContact OE2-CZ 3.31Å; E67-R209 IonicContact OE2-NE 2.74Å; E67-R209 IonicContact OE2-NH1 3.01Å; E67-R209 PolarHBondContact OE2-NH1 3.01Å; E67-R209 IonicContact OE2-NH2 2.85Å; E67-R209 PolarHBondContact OE2-NH2 3.38Å; R209-P211 WeakPolarHBondContact O-CD 2.97Å |
| 210 | E | 87.9 | Confident | 82.5 | Confident | 108 Ų | 108 | 101.8 Ų | 101.8 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 122.4 | 169.8 | -173.1 | 169.5 | -171.3 | 0 | 0 | 110.3 | P68 L70 | P68-E210 HydrophobicContact CG-CB 4.41Å; P68-E210 WeakPolarHBondContact CG-OE2 3.37Å; L70-E210 HydrophobicContact CD1-CB 4.16Å; L70-E210 HydrophobicContact CD1-CG 4.25Å; L70-E210 HydrophobicContact CG-CB 4.43Å |
| 211 | P | 89.1 | Confident | 79.3 | Confident | 18 Ų | 18 | 103.3 Ų | 103.3 | 12% | 0.117 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -73 | 137.7 | -176.2 | 29.4 | -35 | 0 | 0 | 0 | 111.3 | V111 F141 R209 L213 | V111-P211 HydrophobicContact CG1-CG 3.96Å; F141-P211 HydrophobicContact CB-CB 3.84Å; F141-P211 HydrophobicContact CD1-CB 3.61Å; F141-P211 HydrophobicContact CD1-CG 3.57Å; F141-P211 HydrophobicContact CD2-CB 4.3Å; F141-P211 HydrophobicContact CD2-CG 4.22Å; F141-P211 HydrophobicContact CE1-CB 4.2Å; F141-P211 HydrophobicContact CE1-CG 3.63Å; F141-P211 HydrophobicContact CE2-CG 4.3Å; F141-P211 HydrophobicContact CG-CB 3.65Å; F141-P211 HydrophobicContact CG-CG 3.88Å; F141-P211 HydrophobicContact CZ-CG 4Å; R209-P211 WeakPolarHBondContact O-CD 2.97Å; P211-L213 PolarHBondContact O-N 3.32Å |
| 212 | S | 86.9 | Confident | 76.2 | Confident | 85 Ų | 85 | 109.1 Ų | 109.1 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | trans | -67.3 | 114.5 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | H214 | S212-H214 PolarHBondContact O-CE1 2.63Å; S212-H214 PolarHBondContact O-N 3.19Å; S212-H214 PolarHBondContact O-ND1 3.48Å | ||
| 213 | L | 90.4 | Very high | 73.3 | Confident | 95 Ų | 95 | 110.7 Ų | 110.7 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -73.3 | 116.7 | 178.7 | -173.9 | 66.1 | 0 | 0 | 0 | 110.4 | F141 P143 P211 | F141-L213 HydrophobicContact CD1-CB 4.44Å; F141-L213 HydrophobicContact CD1-CD1 3.99Å; F141-L213 HydrophobicContact CE1-CD1 3.8Å; P143-L213 HydrophobicContact CG-CD1 3.96Å; P211-L213 PolarHBondContact O-N 3.32Å |
| 214 | H | 79.2 | Confident | 70.6 | Confident | 94 Ų | 94 | 116.2 Ų | 116.2 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -99.1 | 137.6 | 173.8 | -63.8 | 68.9 | 0 | 0 | 0 | 110.1 | V140 F141 P143 S212 | V140-H214 HydrophobicContact CG1-CB 3.47Å; V140-H214 VanDerWaalsContact CG1-CB 3.47Å; V140-H214 WeakPolarHBondContact CG1-ND1 3.46Å; F141-H214 PolarHBondContact O-N 3.11Å; P143-H214 WeakPolarHBondContact CD-O 3.16Å; S212-H214 PolarHBondContact O-CE1 2.63Å; S212-H214 PolarHBondContact O-N 3.19Å; S212-H214 PolarHBondContact O-ND1 3.48Å |
| 215 | E | 84 | Confident | 67.6 | Low | 186 Ų | 186 | 120.3 Ų | 120.3 | 87% | 0.869 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140 | 174.1 | -65.5 | -175.5 | 170 | 0 | 0 | 110 | G217 | E215-G217 PolarHBondContact O-N 3.14Š|
| 216 | I | 76.4 | Confident | 64.8 | Low | 77 Ų | 77 | 121.3 Ų | 121.3 | 40% | 0.395 | 62% | 0.615 | S | S | . | * | trans | -69.5 | 107.3 | 171.7 | -56.2 | 159.1 | 0 | 0 | 0 | 105.1 | P143 E144 L163 E218 | P143-I216 HydrophobicContact CB-CD1 4.27Å; P143-I216 HydrophobicContact CG-CD1 4.45Å; E144-I216 HydrophobicContact CG-CD1 3.53Å; E144-I216 HydrophobicContact CG-CG1 4.25Å; L163-I216 HydrophobicContact CD1-CD1 4.21Å; I216-E218 PolarHBondContact O-N 3.34Å; I216-E218 VanDerWaalsContact O-N 3.12Å | ||
| 217 | G | 60.1 | Low | 62.1 | Low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | trans | -54.2 | 122.8 | 174 | 0 | 0 | 0 | 0 | 0 | 108.6 | E215 K219 | E215-G217 PolarHBondContact O-N 3.14Å; G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 3.46Å | ||
| 218 | E | 49.7 | Very low | 59.4 | Low | 187 Ų | 187 | 123.4 Ų | 123.4 | 87% | 0.874 | 65% | 0.652 | S | S | * | * | trans | -54.1 | 101.4 | 168.4 | -67.5 | -175.9 | 157.4 | 0 | 0 | 106.5 | I216 Q220 | I216-E218 PolarHBondContact O-N 3.34Å; I216-E218 VanDerWaalsContact O-N 3.12Å; E218-Q220 PolarHBondContact O-N 2.94Å | ||
| 219 | K | 45.3 | Very low | 56.9 | Low | 202 Ų | 202 | 127.9 Ų | 127.9 | 88% | 0.878 | 68% | 0.682 | S | S | * | * | trans | -50.5 | 111.6 | 169.3 | -81.3 | -175.6 | 177.2 | 179.1 | 0 | 105.6 | G217 G221 | G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 3.46Å; K219-G221 VanDerWaalsContact C-N 3.25Å; K219-G221 WeakPolarHBondContact O-CA 3.46Å; K219-G221 PolarHBondContact O-N 3.2Å | ||
| 220 | Q | 38.1 | Very low | 54.7 | Low | 200 Ų | 200 | 125.5 Ų | 125.5 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | trans | -33.6 | 83.9 | -173.1 | -70.2 | 171.7 | -1.2 | 0 | 0 | 112.5 | E218 R222 | E218-Q220 PolarHBondContact O-N 2.94Å; Q220-R222 PolarHBondContact O-N 2.91Å | ||
| 221 | G | 30.7 | Very low | 52.4 | Low | 67 Ų | 67 | 126.4 Ų | 126.4 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | trans | -101.1 | 74.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 108 | K219 | K219-G221 VanDerWaalsContact C-N 3.25Å; K219-G221 WeakPolarHBondContact O-CA 3.46Å; K219-G221 PolarHBondContact O-N 3.2Å | ||
| 222 | R | 32.2 | Very low | 49.8 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | 56.5 | 98.8 | 173.2 | -64.5 | 174.7 | 172.9 | 172.3 | -3.4 | 113.4 | Q220 R224 | Q220-R222 PolarHBondContact O-N 2.91Å; R222-R224 HydrophobicContact CB-CG 4.45Å; R222-R224 PolarHBondContact O-N 3.4Å | ||
| 223 | S | 33.7 | Very low | 47.2 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -54.7 | 82.1 | 142.3 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | K225 | S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 PolarHBondContact O-N 2.94Å | ||
| 224 | R | 39.7 | Very low | 44.3 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -72.5 | 103.3 | 156.7 | -87.5 | -177 | 168.8 | 170.1 | -3.9 | 103.9 | R222 S226 | R222-R224 HydrophobicContact CB-CG 4.45Å; R222-R224 PolarHBondContact O-N 3.4Å; R224-S226 PolarHBondContact O-N 3.24Å | ||
| 225 | K | 34 | Very low | 42.2 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -42.3 | 94.5 | 154.8 | -67.4 | 175.2 | 176.8 | 179 | 0 | 107.9 | S223 S227 | S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 PolarHBondContact O-N 2.94Å; K225-S227 PolarHBondContact O-N 3.27Å | ||
| 226 | S | 36.6 | Very low | 39.6 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -82.2 | 99.2 | 155.8 | 69.3 | 0 | 0 | 0 | 0 | 104.9 | R224 G228 | R224-S226 PolarHBondContact O-N 3.24Å; S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.74Å | ||
| 227 | S | 38.4 | Very low | 37.9 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -37.8 | 95.7 | 159.1 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | K225 T229 | K225-S227 PolarHBondContact O-N 3.27Å; S227-T229 PolarHBondContact O-N 2.84Å | ||
| 228 | G | 36.3 | Very low | 36.7 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -79.8 | 104 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107 | S226 | S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.74Å | ||
| 229 | T | 36.8 | Very low | 36 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -46.6 | 129.8 | 174.5 | -39.6 | 0 | 0 | 0 | 0 | 110.5 | S227 T231 | S227-T229 PolarHBondContact O-N 2.84Å; T229-T231 PolarHBondContact O-N 2.97Å | ||
| 230 | P | 42.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 120.4 | 178.7 | 25.8 | -30.8 | 0 | 0 | 0 | 109.5 | M232 | P230-M232 PolarHBondContact O-N 3.37Š| ||
| 231 | T | 40.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 115.1 | 170.1 | 38.4 | 0 | 0 | 0 | 0 | 109.9 | T229 N233 | T229-T231 PolarHBondContact O-N 2.97Å; T231-N233 PolarHBondContact O-N 3.26Å; T231-N233 VanDerWaalsContact O-N 3.1Å | ||
| 232 | M | 33.5 | Very low | 35.8 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -64.4 | 101.2 | 170.3 | -66.9 | -73.9 | -76.9 | 0 | 0 | 109.1 | P230 | P230-M232 PolarHBondContact O-N 3.37Š| ||
| 233 | N | 33.5 | Very low | 36.2 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -135.6 | 100.4 | 169.8 | -91.6 | -19 | 0 | 0 | 0 | 108.4 | T231 | T231-N233 PolarHBondContact O-N 3.26Å; T231-N233 VanDerWaalsContact O-N 3.1Å | ||
| 234 | G | 29.3 | Very low | 36.4 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | 161.7 | 102.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 235 | G | 34 | Very low | 36.2 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 147.6 | 67 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 236 | K | 31.3 | Very low | 36.3 | Very low | 204 Ų | 204 | 132.5 Ų | 132.5 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -90.5 | 111.8 | 164.3 | -167.5 | -177.2 | -174.4 | -176.6 | 0 | 107.3 | ||||
| 237 | V | 40.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -145.1 | 98.9 | 169 | -171.2 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 238 | V | 33.2 | Very low | 36.2 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 65% | 0.648 | 82% | 0.824 | S | S | * | * | 54.2 | 120.1 | 80.4 | 174.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 239 | N | 36.8 | Very low | 36.2 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | cis | -146.6 | 144.2 | 17.9 | -84.8 | -43.3 | 0 | 0 | 0 | 106.9 | ||||
| 240 | Q | 33.7 | Very low | 36.1 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | 44.8 | 131.2 | 86.6 | -73.5 | -171.8 | 13.4 | 0 | 0 | 117.8 | |||||
| 241 | D | 35.8 | Very low | 35.6 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 75% | 0.754 | 84% | 0.842 | S | S | * | * | trans | 97.5 | 99.3 | 164.3 | -58.6 | -33.7 | 0 | 0 | 0 | 117.6 | ||||
| 242 | S | 38.6 | Very low | 35.2 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 85% | 0.848 | S | S | * | * | 93.7 | 115.3 | 70.6 | -71.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 243 | T | 42.1 | Very low | 35.4 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 100% | 1.35 | 84% | 0.843 | S | S | * | * | trans | -41.6 | 0 | 171 | 32.6 | 0 | 0 | 0 | 0 | 115.2 |
Retrieved 243 of 243 residues in 58.1 ms
(Link to these results)