| 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 | 52.1 | Low | 54.7 | Low | 249 Ų | 249 | 124.5 Ų | 124.5 | 100% | 1.227 | 75% | 0.751 | S | S | * | * | 0 | 58.9 | 0 | -148.5 | -179.3 | -70.1 | 0 | 0 | 109.7 | |||||
| 2 | A | 49.9 | Very low | 54.9 | Low | 107 Ų | 107 | 125.8 Ų | 125.8 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | trans | -148 | 42 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3 | A | 53 | Low | 54.9 | Low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -128 | 16.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 4 | A | 56.8 | Low | 55.1 | Low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -106.6 | 0.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 5 | I | 53.3 | Low | 55.2 | Low | 163 Ų | 163 | 132.9 Ų | 132.9 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -99.5 | -21.2 | -173.6 | -57.8 | -177.4 | 0 | 0 | 0 | 113.1 | S7 | I5-S7 PolarHBondContact O-N 3.31Š|
| 6 | A | 52.9 | Low | 55.1 | Low | 78 Ų | 78 | 129.1 Ų | 129.1 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -80.6 | -14.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 7 | S | 55.5 | Low | 55.1 | Low | 83 Ų | 83 | 134.2 Ų | 134.2 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -80.5 | -22.6 | -173.7 | -43.4 | 0 | 0 | 0 | 0 | 113.9 | I5 | I5-S7 PolarHBondContact O-N 3.31Å |
| 8 | G | 54.6 | Low | 55 | Low | 44 Ų | 44 | 134 Ų | 134 | 45% | 0.454 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -76.2 | -39.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I10 R11 Q12 | G8-I10 VanDerWaalsContact C-N 3.27Å; G8-I10 PolarHBondContact O-N 3.33Å; G8-R11 PolarHBondContact O-N 3.38Å; G8-Q12 PolarHBondContact O-N 3.17Å |
| 9 | L | 56.1 | Low | 54.7 | Low | 139 Ų | 139 | 136.2 Ų | 136.2 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -66.8 | -28.3 | -175.3 | -121.7 | 89.8 | 0 | 0 | 0 | 113.1 | ||
| 10 | I | 58.4 | Low | 54.3 | Low | 127 Ų | 127 | 136 Ų | 136 | 65% | 0.651 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -77 | -31.6 | -178.8 | -61.1 | 173 | 0 | 0 | 0 | 111 | G8 | G8-I10 VanDerWaalsContact C-N 3.27Å; G8-I10 PolarHBondContact O-N 3.33Å |
| 11 | R | 59.4 | Low | 53.8 | Low | 198 Ų | 198 | 136.3 Ų | 136.3 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -71.5 | -39.9 | 177.3 | -89.7 | -174.9 | 173.4 | -144.6 | -0.6 | 112.7 | G8 K13 R14 Q15 | G8-R11 PolarHBondContact O-N 3.38Å; R11-K13 PolarHBondContact O-N 3.3Å; R11-R14 PolarHBondContact O-N 3.46Å; R11-Q15 PolarHBondContact O-N 3.38Å |
| 12 | Q | 56.7 | Low | 53.5 | Low | 139 Ų | 139 | 132.3 Ų | 132.3 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -65.3 | -37.4 | 178.8 | -81 | -175.4 | -23.1 | 0 | 0 | 112.8 | G8 R14 Q15 A16 | G8-Q12 PolarHBondContact O-N 3.17Å; Q12-R14 VanDerWaalsContact C-N 3.29Å; Q12-R14 PolarHBondContact O-N 3.18Å; Q12-Q15 PolarHBondContact O-N 3.25Å; Q12-A16 PolarHBondContact O-N 3.33Å |
| 13 | K | 54.9 | Low | 53.3 | Low | 176 Ų | 176 | 136.7 Ų | 136.7 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.7 | -20.3 | -179.3 | -153.6 | 171.7 | -175.3 | 175.5 | 0 | 113.5 | R11 | R11-K13 PolarHBondContact O-N 3.3Å |
| 14 | R | 57.2 | Low | 52.6 | Low | 189 Ų | 189 | 137.6 Ų | 137.6 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -82.6 | -40.4 | 174.6 | -129 | 176.5 | -174.9 | 176.9 | 0.1 | 111.8 | R11 Q12 A16 R17 E18 | R11-R14 PolarHBondContact O-N 3.46Å; Q12-R14 VanDerWaalsContact C-N 3.29Å; Q12-R14 PolarHBondContact O-N 3.18Å; R14-A16 PolarHBondContact O-N 3.23Å; R14-R17 PolarHBondContact O-N 3.14Å; R14-R17 VanDerWaalsContact O-N 3.14Å; R14-E18 PolarHBondContact O-N 3.44Å |
| 15 | Q | 57.9 | Low | 51.9 | Low | 120 Ų | 120 | 139 Ų | 139 | 56% | 0.561 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -65.9 | -36.7 | 176.6 | -71.9 | 177.7 | -24.4 | 0 | 0 | 112.9 | R11 Q12 R17 E18 | R11-Q15 PolarHBondContact O-N 3.38Å; Q12-Q15 PolarHBondContact O-N 3.25Å; Q15-R17 PolarHBondContact O-N 3.49Å; Q15-E18 PolarHBondContact O-N 3.23Å |
| 16 | A | 52.6 | Low | 51.4 | Low | 72 Ų | 72 | 137.2 Ų | 137.2 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.5 | -18 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q12 R14 | Q12-A16 PolarHBondContact O-N 3.33Å; R14-A16 PolarHBondContact O-N 3.23Å |
| 17 | R | 54.9 | Low | 51.1 | Low | 215 Ų | 215 | 141.1 Ų | 141.1 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -92.2 | -19.5 | 179.3 | -136.2 | 179.4 | -173.9 | -161 | 0.4 | 113 | R14 Q15 | R14-R17 PolarHBondContact O-N 3.14Å; R14-R17 VanDerWaalsContact O-N 3.14Å; Q15-R17 PolarHBondContact O-N 3.49Å |
| 18 | E | 52.9 | Low | 50.4 | Low | 131 Ų | 131 | 148.4 Ų | 148.4 | 61% | 0.612 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -88.1 | -21.2 | 179.4 | -74.2 | 174.9 | 178 | 0 | 0 | 112.9 | R14 Q15 H20 | R14-E18 PolarHBondContact O-N 3.44Å; Q15-E18 PolarHBondContact O-N 3.23Å; E18-H20 VanDerWaalsContact C-N 3.26Å; E18-H20 PolarHBondContact O-N 3.46Å |
| 19 | Q | 49.7 | Very low | 49.8 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -1.2 | 177.2 | -70.4 | -174.7 | -6.4 | 0 | 0 | 115 | ||
| 20 | H | 47.7 | Very low | 49 | Very low | 132 Ų | 132 | 162.7 Ų | 162.7 | 61% | 0.611 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 29.8 | -175.1 | -154.5 | -76.3 | 0 | 0 | 0 | 113.4 | E18 | E18-H20 VanDerWaalsContact C-N 3.26Å; E18-H20 PolarHBondContact O-N 3.46Å |
| 21 | L | 43.7 | Very low | 48 | Very low | 142 Ų | 142 | 165.6 Ų | 165.6 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -86 | -8.4 | 175.5 | -81 | 168.3 | 0 | 0 | 0 | 114.7 | ||||
| 22 | D | 45.7 | Very low | 47 | Very low | 166 Ų | 166 | 161.4 Ų | 161.4 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -114.1 | 82.3 | 176.8 | -71.8 | -39.5 | 0 | 0 | 0 | 111.8 | ||||
| 23 | R | 45.6 | Very low | 46.5 | Very low | 199 Ų | 199 | 161 Ų | 161 | 75% | 0.751 | 77% | 0.771 | S | S | * | * | trans | -138.3 | 121.9 | 159.8 | -164 | 172.7 | -177.8 | 169.9 | 1.7 | 110.3 | ||||
| 24 | P | 38.8 | Very low | 45.8 | Very low | 114 Ų | 114 | 159.3 Ų | 159.3 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -70.1 | 140.6 | -175.6 | 26.4 | -32.2 | 0 | 0 | 0 | 112 | T26 | P24-T26 PolarHBondContact O-N 3.28Š| ||
| 25 | S | 42.3 | Very low | 45.1 | Very low | 115 Ų | 115 | 160 Ų | 160 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -75.8 | 107.5 | 177.1 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 26 | T | 42.7 | Very low | 44.1 | Very low | 127 Ų | 127 | 161 Ų | 161 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -92.9 | 104.4 | 168.9 | 59.9 | 0 | 0 | 0 | 0 | 110.3 | P24 R28 | P24-T26 PolarHBondContact O-N 3.28Å; T26-R28 PolarHBondContact O-N 3.29Å | ||
| 27 | N | 45.3 | Very low | 43.5 | Very low | 160 Ų | 160 | 167.3 Ų | 167.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -59.6 | 108.5 | 161.7 | -89 | -36.6 | 0 | 0 | 0 | 109.8 | ||||
| 28 | R | 41.4 | Very low | 42.5 | Very low | 235 Ų | 235 | 160.4 Ų | 160.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -139.8 | 101.3 | 156.6 | -82.3 | -164.4 | 177.5 | 177.3 | -0.3 | 111.7 | T26 R30 | T26-R28 PolarHBondContact O-N 3.29Å; R28-R30 PolarHBondContact O-N 3.48Å | ||
| 29 | R | 41 | Very low | 41.9 | Very low | 238 Ų | 238 | 161.6 Ų | 161.6 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -52.5 | 108.1 | 163.6 | -161.9 | 177.6 | -172.5 | -176.2 | 3.7 | 109.4 | ||||
| 30 | R | 39.8 | Very low | 41.4 | Very low | 246 Ų | 246 | 159.2 Ų | 159.2 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -82 | 113.7 | 170.7 | -80.1 | -176.2 | 173.9 | 178.7 | -2 | 109.1 | R28 | R28-R30 PolarHBondContact O-N 3.48Š| ||
| 31 | K | 38.8 | Very low | 41 | Very low | 187 Ų | 187 | 160.6 Ų | 160.6 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 130.9 | 162.6 | -74.7 | -177.2 | 176.6 | -178.8 | 0 | 108.4 | ||
| 32 | S | 37.5 | Very low | 40.8 | Very low | 111 Ų | 111 | 157.3 Ų | 157.3 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 136.6 | 171 | 40.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 33 | P | 45.2 | Very low | 40.6 | Very low | 129 Ų | 129 | 157.6 Ų | 157.6 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 130.9 | -177.4 | 31.7 | -31.4 | 0 | 0 | 0 | 111.6 | ||
| 34 | N | 40.8 | Very low | 40.6 | Very low | 141 Ų | 141 | 156.4 Ų | 156.4 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 125.3 | 167.9 | -171.7 | 12.3 | 0 | 0 | 0 | 108.9 | ||
| 35 | K | 41.8 | Very low | 41.1 | Very low | 205 Ų | 205 | 156.7 Ų | 156.7 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | -146.1 | 130 | 159.2 | -84.8 | -166.5 | 179.3 | 177.9 | 0 | 111 | ||||
| 36 | N | 38.6 | Very low | 41.3 | Very low | 140 Ų | 140 | 157.1 Ų | 157.1 | 75% | 0.749 | 82% | 0.823 | S | S | * | * | trans | -93.9 | 157.4 | -178.4 | -102.9 | -21.3 | 0 | 0 | 0 | 111.6 | ||||
| 37 | K | 40.1 | Very low | 41.4 | Very low | 205 Ų | 205 | 158.6 Ų | 158.6 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | 94.4 | 126.9 | 150.6 | -74.1 | 172.2 | -178.6 | -174.9 | 0 | 121 | ||||
| 38 | G | 33.1 | Very low | 41.5 | Very low | 69 Ų | 69 | 160 Ų | 160 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | 164.4 | 74.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 39 | L | 40.1 | Very low | 41.6 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | 50.2 | 91.5 | 97.6 | -77.3 | 168.4 | 0 | 0 | 0 | 115.1 | |||||
| 40 | C | 38.5 | Very low | 42 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -142.6 | 108.9 | 139.4 | 53.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 41 | N | 40.4 | Very low | 42.4 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -79.2 | 141.9 | 170.8 | -76.3 | -24.7 | 0 | 0 | 0 | 109.2 | ||||
| 42 | G | 39.6 | Very low | 43 | Very low | 74 Ų | 74 | 146.7 Ų | 146.7 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 179.1 | 82.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L44 | G42-L44 PolarHBondContact O-N 3.1Š| ||
| 43 | N | 41.7 | Very low | 43.6 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -65 | 120.2 | 166 | -76 | -15.7 | 0 | 0 | 0 | 108.6 | ||||
| 44 | L | 46 | Very low | 43.6 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -123.9 | 108 | 155.9 | -158.1 | 85.6 | 0 | 0 | 0 | 107.7 | G42 | G42-L44 PolarHBondContact O-N 3.1Š| ||
| 45 | V | 48.8 | Very low | 44.1 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -64.7 | 143.8 | 170.5 | -99 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 46 | D | 46.8 | Very low | 44.5 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | 56.7 | 113.8 | 155.8 | -65.3 | -32.3 | 0 | 0 | 0 | 120.1 | ||||
| 47 | I | 44 | Very low | 45.1 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -153.3 | 102.5 | 115.6 | -83.4 | 135.5 | 0 | 0 | 0 | 107.2 | S49 | I47-S49 PolarHBondContact O-N 3.08Å; I47-S49 VanDerWaalsContact O-N 3.13Å | |||
| 48 | F | 47.9 | Very low | 45.7 | Very low | 190 Ų | 190 | 147.6 Ų | 147.6 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 95.6 | 164.2 | -92.8 | -91.5 | 0 | 0 | 0 | 109.1 | K50 | F48-K50 PolarHBondContact O-N 3.29Å; F48-K50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | S | 42.7 | Very low | 46.6 | Very low | 94 Ų | 94 | 155.6 Ų | 155.6 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -74.5 | 96.2 | 160.3 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | I47 V51 | I47-S49 PolarHBondContact O-N 3.08Å; I47-S49 VanDerWaalsContact O-N 3.13Å; S49-V51 PolarHBondContact O-N 3.05Å | ||
| 50 | K | 49.1 | Very low | 47.3 | Very low | 206 Ų | 206 | 159.5 Ų | 159.5 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -59.2 | 75.2 | 163.2 | -105.6 | 177.9 | 177.1 | 171.4 | 0 | 109.6 | F48 R52 | F48-K50 PolarHBondContact O-N 3.29Å; F48-K50 VanDerWaalsContact O-N 3.08Å; K50-R52 PolarHBondContact O-N 3.48Å | ||
| 51 | V | 47.8 | Very low | 48.3 | Very low | 111 Ų | 111 | 161.2 Ų | 161.2 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | trans | -84.5 | 99.6 | 161.3 | -173.7 | 0 | 0 | 0 | 0 | 106.3 | S49 I53 | S49-V51 PolarHBondContact O-N 3.05Å; V51-I53 HydrophobicContact CG1-CG1 3.86Å; V51-I53 PolarHBondContact O-N 3.46Å | ||
| 52 | R | 52.6 | Low | 49.1 | Very low | 215 Ų | 215 | 164.9 Ų | 164.9 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -65.8 | 84.9 | 164.9 | -161.9 | -179.8 | -166.7 | -179.8 | 2.8 | 106.4 | K50 F54 | K50-R52 PolarHBondContact O-N 3.48Å; R52-F54 VanDerWaalsContact C-N 3.26Å; R52-F54 PolarHBondContact O-N 2.92Å | ||
| 53 | I | 50.8 | Low | 50.1 | Low | 129 Ų | 129 | 172.6 Ų | 172.6 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -64.4 | 98.6 | 169.1 | -62.6 | -173.3 | 0 | 0 | 0 | 105.4 | V51 G55 | V51-I53 HydrophobicContact CG1-CG1 3.86Å; V51-I53 PolarHBondContact O-N 3.46Å; I53-G55 PolarHBondContact O-N 3.37Å | ||
| 54 | F | 43.5 | Very low | 51.4 | Low | 176 Ų | 176 | 172 Ų | 172 | 77% | 0.772 | 80% | 0.8 | S | S | * | * | trans | -44.9 | 127.1 | 168.8 | -85.9 | -96.2 | 0 | 0 | 0 | 108.3 | R52 L56 | R52-F54 VanDerWaalsContact C-N 3.26Å; R52-F54 PolarHBondContact O-N 2.92Å; F54-L56 PolarHBondContact O-N 3.41Å | ||
| 55 | G | 51.9 | Low | 52.3 | Low | 69 Ų | 69 | 168 Ų | 168 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -43.6 | 110.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I53 R57 | I53-G55 PolarHBondContact O-N 3.37Å; G55-R57 PolarHBondContact O-N 3.3Å | ||
| 56 | L | 49.8 | Very low | 53.3 | Low | 153 Ų | 153 | 166.1 Ų | 166.1 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | trans | -61.4 | 83 | 147.1 | -74.6 | 165.1 | 0 | 0 | 0 | 105.6 | F54 K58 | F54-L56 PolarHBondContact O-N 3.41Å; L56-K58 PolarHBondContact O-N 3Å | ||
| 57 | R | 52.2 | Low | 55.2 | Low | 232 Ų | 232 | 165.4 Ų | 165.4 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -52.1 | 97.1 | 148.5 | -81.2 | -176.7 | 177.8 | -171.8 | 0 | 103.3 | G55 R59 | G55-R57 PolarHBondContact O-N 3.3Å; R57-R59 PolarHBondContact O-N 3.04Å | ||
| 58 | K | 51.3 | Low | 57.6 | Low | 191 Ų | 191 | 159.6 Ų | 159.6 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | -52.3 | 94.3 | 156.4 | -77.5 | -178.3 | 179 | 178 | 0 | 103.2 | L56 R60 | L56-K58 PolarHBondContact O-N 3Å; K58-R60 PolarHBondContact O-N 3.07Å | ||
| 59 | R | 51.9 | Low | 59.9 | Low | 237 Ų | 237 | 157.5 Ų | 157.5 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | trans | -51 | 101.1 | 157.9 | -86.9 | 179.1 | 162 | 161.3 | -4.5 | 101.6 | R57 L61 | R57-R59 PolarHBondContact O-N 3.04Å; R59-L61 VanDerWaalsContact C-N 3.26Å; R59-L61 PolarHBondContact O-N 2.79Å | ||
| 60 | R | 54.9 | Low | 62.5 | Low | 239 Ų | 239 | 153.2 Ų | 153.2 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -52.8 | 107.6 | 172.6 | -74.6 | -179 | -179.8 | 176.7 | 0.2 | 102.4 | K58 R62 | K58-R60 PolarHBondContact O-N 3.07Å; R60-R62 PolarHBondContact O-N 2.96Å | ||
| 61 | L | 60.9 | Low | 64.8 | Low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 66% | 0.663 | S | S | * | * | trans | -49 | 113.9 | 170.9 | -159.8 | 84.9 | 0 | 0 | 0 | 103 | R59 R63 | R59-L61 VanDerWaalsContact C-N 3.26Å; R59-L61 PolarHBondContact O-N 2.79Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 2.85Å | ||
| 62 | R | 57.4 | Low | 67.2 | Low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 64% | 0.635 | S | S | * | * | trans | -52.6 | 107.4 | 176.7 | -99.8 | -170.7 | 161.9 | -171.5 | -4.5 | 103.9 | R60 Q64 | R60-R62 PolarHBondContact O-N 2.96Å; R62-Q64 PolarHBondContact O-N 3.41Å | ||
| 63 | R | 60.9 | Low | 69.4 | Low | 236 Ų | 236 | 130.7 Ų | 130.7 | 89% | 0.891 | 60% | 0.596 | S | S | * | * | trans | -58.7 | 112.9 | 171.2 | -79.3 | -174.3 | 168.1 | 162.5 | -3.9 | 103.2 | L61 D65 | L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 2.85Å; R63-D65 PolarHBondContact O-N 3.31Å; R63-D65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | Q | 67.1 | Low | 71.7 | Confident | 159 Ų | 159 | 126.7 Ų | 126.7 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | trans | -53.2 | 122.8 | 168.4 | -74.7 | -95.4 | 6.4 | 0 | 0 | 105.1 | R62 | R62-Q64 PolarHBondContact O-N 3.41Š| ||
| 65 | D | 66.1 | Low | 74.3 | Confident | 90 Ų | 90 | 118.3 Ų | 118.3 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | trans | -54.6 | 141.3 | 175.3 | -78.1 | -32.8 | 0 | 0 | 0 | 108.1 | R63 Q67 R207 | R63-D65 PolarHBondContact O-N 3.31Å; R63-D65 VanDerWaalsContact O-N 3.16Å; D65-Q67 WeakPolarHBondContact O-CG 3.3Å; D65-Q67 PolarHBondContact O-N 3.04Å; D65-R207 IonicContact OD2-CZ 3.48Å; D65-R207 IonicContact OD2-NH2 3.91Å | ||
| 66 | P | 69.1 | Low | 76.5 | Confident | 80 Ų | 80 | 118.3 Ų | 118.3 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | trans | -54.7 | 111.4 | 176.3 | -22.7 | 32.3 | 0 | 0 | 0 | 109.6 | ||||
| 67 | Q | 86.9 | Confident | 78.9 | Confident | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.5 | 175 | -64.7 | -173.1 | 14 | 0 | 0 | 108.8 | D65 M205 Y206 | D65-Q67 WeakPolarHBondContact O-CG 3.3Å; D65-Q67 PolarHBondContact O-N 3.04Å; Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.45Å; Q67-M205 VanDerWaalsContact CB-CE 3.45Å; Q67-Y206 CarbonylContact C-O 3.49Å; Q67-Y206 WeakPolarHBondContact CA-O 3.46Å |
| 68 | L | 94.2 | Very high | 81.1 | Confident | 35 Ų | 35 | 105.1 Ų | 105.1 | 18% | 0.183 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 131.7 | 173.9 | -58.8 | 174.4 | 0 | 0 | 0 | 109 | G70 I107 P108 M205 Y206 E208 | L68-G70 PolarHBondContact O-N 3.21Å; L68-I107 HydrophobicContact CB-CG2 4.39Å; L68-I107 HydrophobicContact CD1-CG2 3.83Å; L68-P108 HydrophobicContact CB-CG 4.34Å; L68-P108 WeakPolarHBondContact CD1-O 3.43Å; L68-M205 WeakPolarHBondContact O-CA 3.36Å; L68-Y206 PolarHBondContact N-O 2.97Å; L68-Y206 PolarHBondContact O-N 2.89Å; L68-E208 HydrophobicContact CD1-CB 4.02Å; L68-E208 HydrophobicContact CD1-CG 4.17Å; L68-E208 HydrophobicContact CG-CB 4.34Å |
| 69 | K | 96.6 | Very high | 83.3 | Confident | 146 Ų | 146 | 98.3 Ų | 98.3 | 64% | 0.635 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 99.3 | 175.9 | -173.5 | -179.7 | -176.7 | -179.7 | 0 | 109.6 | P108 V203 M205 | K69-P108 WeakPolarHBondContact O-CG 3.38Å; K69-V203 HydrophobicContact CD-CG1 4.23Å; K69-V203 HydrophobicContact CG-CG1 3.78Å; K69-M205 HydrophobicContact CB-CE 4.33Å; K69-M205 HydrophobicContact CB-SD 3.96Å; K69-M205 HydrophobicContact CG-SD 4.01Å |
| 70 | G | 97.3 | Very high | 85.5 | Confident | 5 Ų | 5 | 88 Ų | 88 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -165.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L68 L106 A204 | L68-G70 PolarHBondContact O-N 3.21Å; G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.43Å; G70-A204 PolarHBondContact N-O 2.6Å; G70-A204 PolarHBondContact O-N 3.18Å |
| 71 | I | 98.1 | Very high | 87.6 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.2 | 176.6 | 60.8 | 174.5 | 0 | 0 | 0 | 111.3 | T73 L106 P200 E202 V203 Y206 | I71-T73 HydrophobicContact CD1-CG2 4.19Å; I71-T73 HydrophobicContact CG1-CG2 4.29Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 PolarHBondContact N-O 2.96Å; I71-L106 PolarHBondContact O-N 2.98Å; I71-P200 HydrophobicContact CD1-CB 4.2Å; I71-P200 HydrophobicContact CD1-CG 4.1Å; I71-E202 CarbonylContact C-O 3.55Å; I71-E202 VanDerWaalsContact CA-O 3.31Å; I71-E202 WeakPolarHBondContact CA-O 3.34Å; I71-E202 WeakPolarHBondContact CB-O 3.48Å; I71-V203 HydrophobicContact CG2-CG2 4.27Å; I71-Y206 PolarHBondContact O-OH 3.1Å |
| 72 | V | 98.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.3 | 159.8 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | L103 F104 V119 L201 E202 A204 Y206 | V72-L103 HydrophobicContact CG1-CD2 4.46Å; V72-F104 WeakPolarHBondContact CA-O 3.39Å; V72-V119 HydrophobicContact CG1-CG2 4.12Å; V72-L201 PolarHBondContact O-N 2.95Å; V72-E202 HydrophobicContact CB-CG 3.89Å; V72-E202 HydrophobicContact CG2-CG 3.99Å; V72-E202 PolarHBondContact N-O 3.3Å; V72-E202 PolarHBondContact O-N 3Å; V72-A204 HydrophobicContact CG2-CB 4.34Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å |
| 73 | T | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 157.5 | -173.8 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | I71 L75 F104 L106 K199 | I71-T73 HydrophobicContact CD1-CG2 4.19Å; I71-T73 HydrophobicContact CG1-CG2 4.29Å; T73-L75 HydrophobicContact CG2-CD2 4.18Å; T73-F104 PolarHBondContact N-O 3.39Å; T73-F104 PolarHBondContact O-N 2.93Å; T73-L106 HydrophobicContact CG2-CB 4.17Å; T73-L106 HydrophobicContact CG2-CD1 3.75Å; T73-L106 HydrophobicContact CG2-CD2 4.16Å; T73-L106 HydrophobicContact CG2-CG 4.24Å; T73-K199 WeakPolarHBondContact CA-O 3.44Å; T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.38Å |
| 74 | R | 98.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 152 | 156.8 | -62 | -175 | 176.4 | 87.1 | -1.8 | 109.8 | Y82 D97 T102 L103 P198 K199 L201 | R74-Y82 HydrophobicContact CB-CD1 3.88Å; R74-Y82 HydrophobicContact CB-CE1 4.09Å; R74-D97 PolarHBondContact NE-O 3.18Å; R74-D97 PolarHBondContact NH2-O 3.41Å; R74-T102 PolarHBondContact NE-OG1 2.88Å; R74-T102 VanDerWaalsContact NE-OG1 3.12Å; R74-L103 HydrophobicContact CG-CD2 3.95Å; R74-P198 WeakPolarHBondContact O-CA 3.48Å; R74-K199 HydrophobicContact CB-CB 4.41Å; R74-K199 PolarHBondContact N-O 3.38Å; R74-K199 PolarHBondContact O-N 3.11Å; R74-L201 HydrophobicContact CG-CD1 4.23Å |
| 75 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 102.8 | 174.4 | -64.4 | 178.2 | 0 | 0 | 0 | 109.2 | T73 L83 L106 I116 Y157 F196 P198 | T73-L75 HydrophobicContact CG2-CD2 4.18Å; L75-L83 HydrophobicContact CB-CB 4.16Å; L75-L83 HydrophobicContact CD1-CD2 3.98Å; L75-L83 PolarHBondContact O-N 2.82Å; L75-L106 HydrophobicContact CD1-CD1 4.18Å; L75-L106 HydrophobicContact CD2-CD1 4.29Å; L75-L106 HydrophobicContact CD2-CD2 4.45Å; L75-L106 HydrophobicContact CG-CD1 4.49Å; L75-I116 HydrophobicContact CD1-CD1 4.32Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; L75-Y157 HydrophobicContact CD1-CE2 4.3Å; L75-Y157 HydrophobicContact CD2-CE2 4.15Å; L75-F196 HydrophobicContact CB-CD1 4.05Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å |
| 76 | Y | 98.7 | Very high | 96.1 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 113 | -179.9 | -175.7 | -104.7 | 0 | 0 | 0 | 110.7 | G80 Y82 F196 L197 | Y76-G80 WeakPolarHBondContact OH-CA 3.26Å; Y76-Y82 AromaticContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD2 4.02Å; Y76-Y82 AromaticContact CD2-CE1 3.79Å; Y76-Y82 HydrophobicContact CD2-CE1 3.79Å; Y76-Y82 AromaticContact CD2-CE2 3.97Å; Y76-Y82 HydrophobicContact CD2-CE2 3.97Å; Y76-Y82 AromaticContact CD2-CG 3.98Å; Y76-Y82 HydrophobicContact CD2-CG 3.98Å; Y76-Y82 AromaticContact CD2-CZ 3.9Å; Y76-Y82 HydrophobicContact CE2-CD2 4.41Å; Y76-Y82 HydrophobicContact CE2-CE2 4.26Å; Y76-Y82 HydrophobicContact CG-CD1 4.41Å; Y76-Y82 HydrophobicContact CG-CE1 4.27Å; Y76-F196 CarbonylContact O-C 3.56Å; Y76-F196 WeakPolarHBondContact O-CA 3.48Å; Y76-L197 PolarHBondContact N-O 3.47Å; Y76-L197 PolarHBondContact O-N 3.33Å |
| 77 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.6 | 175.5 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | Q79 G80 Y81 L175 H195 F196 | C77-Q79 PolarHBondContact O-N 3.09Å; C77-G80 PolarHBondContact O-N 3.3Å; C77-Y81 WeakPolarHBondContact CB-O 3.38Å; C77-Y81 PolarHBondContact N-O 3.07Å; C77-L175 HydrophobicContact CB-CD1 3.96Å; C77-L175 HydrophobicContact CB-CG 4.43Å; C77-H195 CarbonylContact C-O 3.54Å; C77-H195 WeakPolarHBondContact CA-O 3.32Å; C77-F196 HydrophobicContact CB-CD1 3.9Å; C77-F196 HydrophobicContact CB-CE1 3.63Å; C77-F196 HydrophobicContact CB-CZ 4.25Å |
| 78 | R | 98.6 | Very high | 97.7 | Very high | 109 Ų | 109 | 41.4 Ų | 41.4 | 41% | 0.411 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -22.5 | 174.8 | -176 | -178.7 | 179.7 | -177.6 | 5.1 | 113.1 | G80 Y154 P192 H195 | R78-G80 PolarHBondContact O-N 3.37Å; R78-Y154 HydrophobicContact CB-CE1 4.02Å; R78-Y154 VanDerWaalsContact CD-CZ 3.45Å; R78-Y154 WeakPolarHBondContact CD-OH 3.3Å; R78-Y154 HydrophobicContact CG-CE1 4.05Å; R78-Y154 PolarHBondContact NE-OH 2.87Å; R78-P192 HydrophobicContact CB-CB 4.42Å; R78-P192 HydrophobicContact CG-CB 4.17Å; R78-H195 HydrophobicContact CB-CB 3.79Å; R78-H195 PolarHBondContact N-O 3.34Å; R78-H195 PolarHBondContact NH1-ND1 2.87Å |
| 79 | Q | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.6 | 175.9 | -64.7 | -72 | 96.8 | 0 | 0 | 114.1 | C77 Y81 N176 K177 | C77-Q79 PolarHBondContact O-N 3.09Å; Q79-Y81 HydrophobicContact CB-CD2 4.37Å; Q79-Y81 WeakPolarHBondContact O-CD2 3.34Å; Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.37Å; Q79-N176 PolarHBondContact NE2-O 2.78Å; Q79-N176 VanDerWaalsContact NE2-O 3.08Å; Q79-K177 VanDerWaalsContact NE2-N 3.14Å |
| 80 | G | 98.4 | Very high | 97.8 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | 14.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y76 C77 R78 | Y76-G80 WeakPolarHBondContact OH-CA 3.26Å; C77-G80 PolarHBondContact O-N 3.3Å; R78-G80 PolarHBondContact O-N 3.37Å |
| 81 | Y | 98.7 | Very high | 97.8 | Very high | 41 Ų | 41 | 36.4 Ų | 36.4 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.3 | -171.2 | -61.5 | -93.7 | 0 | 0 | 0 | 111.3 | C77 Q79 G93 T94 K95 K177 | C77-Y81 WeakPolarHBondContact CB-O 3.38Å; C77-Y81 PolarHBondContact N-O 3.07Å; Q79-Y81 HydrophobicContact CB-CD2 4.37Å; Q79-Y81 WeakPolarHBondContact O-CD2 3.34Å; Y81-G93 WeakPolarHBondContact CD1-O 3.43Å; Y81-T94 CarbonylContact C-O 3.57Å; Y81-T94 WeakPolarHBondContact CA-O 3.46Å; Y81-K95 HydrophobicContact CD1-CG 4.07Å; Y81-K95 HydrophobicContact CE1-CG 4.08Å; Y81-K177 WeakPolarHBondContact CE2-O 3.42Å |
| 82 | Y | 98.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.9 | 160.7 | -66.6 | -80.3 | 0 | 0 | 0 | 109.2 | R74 Y76 Q84 G93 T94 D97 K199 | R74-Y82 HydrophobicContact CB-CD1 3.88Å; R74-Y82 HydrophobicContact CB-CE1 4.09Å; Y76-Y82 AromaticContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD1 3.83Å; Y76-Y82 HydrophobicContact CD2-CD2 4.02Å; Y76-Y82 AromaticContact CD2-CE1 3.79Å; Y76-Y82 HydrophobicContact CD2-CE1 3.79Å; Y76-Y82 AromaticContact CD2-CE2 3.97Å; Y76-Y82 HydrophobicContact CD2-CE2 3.97Å; Y76-Y82 AromaticContact CD2-CG 3.98Å; Y76-Y82 HydrophobicContact CD2-CG 3.98Å; Y76-Y82 AromaticContact CD2-CZ 3.9Å; Y76-Y82 HydrophobicContact CE2-CD2 4.41Å; Y76-Y82 HydrophobicContact CE2-CE2 4.26Å; Y76-Y82 HydrophobicContact CG-CD1 4.41Å; Y76-Y82 HydrophobicContact CG-CE1 4.27Å; Y82-Q84 PolarHBondContact O-N 2.85Å; Y82-G93 CarbonylContact O-C 3.6Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.35Å; Y82-T94 PolarHBondContact N-O 2.9Å; Y82-T94 PolarHBondContact O-N 3.27Å; Y82-D97 HydrophobicContact CD2-CB 3.87Å; Y82-D97 HydrophobicContact CE1-CB 4.26Å; Y82-D97 HydrophobicContact CE2-CB 3.46Å; Y82-D97 VanDerWaalsContact CE2-CB 3.46Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.49Å; Y82-D97 HydrophobicContact CG-CB 4.4Å; Y82-D97 PolarHBondContact OH-OD2 3.14Å; Y82-K199 HydrophobicContact CE1-CD 3.97Å; Y82-K199 PolarHBondContact OH-NZ 3.32Å |
| 83 | L | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 137.5 | 167.1 | -174.8 | 67.1 | 0 | 0 | 0 | 108.8 | L75 T102 F104 I125 L173 L175 F196 | L75-L83 HydrophobicContact CB-CB 4.16Å; L75-L83 HydrophobicContact CD1-CD2 3.98Å; L75-L83 PolarHBondContact O-N 2.82Å; L83-T102 WeakPolarHBondContact O-CA 3.33Å; L83-F104 HydrophobicContact CB-CE2 4.1Å; L83-F104 HydrophobicContact CB-CZ 4.47Å; L83-F104 HydrophobicContact CD2-CE2 4.08Å; L83-F104 HydrophobicContact CD2-CZ 3.97Å; L83-F104 HydrophobicContact CG-CE2 4.01Å; L83-F104 HydrophobicContact CG-CZ 3.89Å; L83-F104 WeakPolarHBondContact O-CE2 3.41Å; L83-I125 HydrophobicContact CD2-CD1 3.74Å; L83-L173 HydrophobicContact CD2-CD2 4.22Å; L83-L175 HydrophobicContact CD1-CD1 4.47Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L83-F196 HydrophobicContact CB-CE1 4.46Å |
| 84 | Q | 98.3 | Very high | 97.8 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.8 | 178.9 | 175.4 | 167.1 | -6.1 | 0 | 0 | 110.2 | Y82 N86 L91 D92 T94 S101 T102 | Y82-Q84 PolarHBondContact O-N 2.85Å; Q84-N86 PolarHBondContact NE2-OD1 2.88Å; Q84-L91 WeakPolarHBondContact O-CD2 3.15Å; Q84-D92 PolarHBondContact N-O 2.93Å; Q84-D92 PolarHBondContact O-N 2.83Å; Q84-T94 HydrophobicContact CB-CG2 4.01Å; Q84-S101 WeakPolarHBondContact CA-O 3.33Å; Q84-S101 VanDerWaalsContact CD-OG 3.29Å; Q84-S101 PolarHBondContact NE2-OG 3.06Å; Q84-T102 HydrophobicContact CB-CG2 4.36Å |
| 85 | M | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.5 | 163 | -172.7 | -176.7 | -64.8 | 0 | 0 | 109.8 | S90 L91 S101 F104 S118 T121 L123 I125 T135 | M85-S90 WeakPolarHBondContact CA-O 3.26Å; M85-L91 HydrophobicContact CB-CD2 3.87Å; M85-L91 HydrophobicContact CE-CD2 3.88Å; M85-L91 HydrophobicContact CG-CD2 4.03Å; M85-S101 PolarHBondContact N-O 2.9Å; M85-S101 WeakPolarHBondContact O-CB 3.42Å; M85-F104 HydrophobicContact CB-CE1 4.16Å; M85-F104 HydrophobicContact CB-CZ 4.24Å; M85-F104 HydrophobicContact CE-CE1 4.38Å; M85-S118 WeakPolarHBondContact SD-CB 3.26Å; M85-T121 PolarHBondContact SD-OG1 3.49Å; M85-L123 HydrophobicContact CE-CB 4.23Å; M85-L123 HydrophobicContact SD-CB 3.78Å; M85-L123 HydrophobicContact SD-CD1 4.22Å; M85-L123 HydrophobicContact SD-CG 4.48Å; M85-I125 HydrophobicContact CE-CG1 3.81Å; M85-T135 HydrophobicContact CE-CG2 3.52Å; M85-T135 HydrophobicContact CG-CG2 4.38Å; M85-T135 HydrophobicContact SD-CG2 3.91Å |
| 86 | N | 96.6 | Very high | 97.5 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | trans | -76.1 | 160.7 | 178.3 | -66.7 | -44.7 | 0 | 0 | 0 | 111.3 | Q84 D88 G89 S90 D92 | Q84-N86 PolarHBondContact NE2-OD1 2.88Å; N86-D88 WeakPolarHBondContact CB-OD1 3.42Å; N86-D88 PolarHBondContact O-N 3.39Å; N86-G89 PolarHBondContact O-N 2.95Å; N86-S90 VanDerWaalsContact CB-OG 3.29Å; N86-S90 WeakPolarHBondContact CB-OG 3.33Å; N86-S90 PolarHBondContact N-O 2.81Å; N86-S90 PolarHBondContact ND2-OG 3Å; N86-D92 PolarHBondContact ND2-OD1 3.12Å; N86-D92 PolarHBondContact ND2-OD2 2.92Å | ||
| 87 | P | 95.3 | Very high | 97 | Very high | 95 Ų | 95 | 46.7 Ų | 46.7 | 62% | 0.617 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25 | 179.4 | -25.1 | 35.6 | 0 | 0 | 0 | 114.6 | G89 | P87-G89 PolarHBondContact O-N 3.16Š|
| 88 | D | 95.1 | Very high | 96.5 | Very high | 126 Ų | 126 | 51 Ų | 51 | 67% | 0.674 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -0.2 | 175.4 | 68 | -15.4 | 0 | 0 | 0 | 113.4 | N86 S90 | N86-D88 WeakPolarHBondContact CB-OD1 3.42Å; N86-D88 PolarHBondContact O-N 3.39Å; D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 WeakPolarHBondContact OD1-CB 3.31Å; D88-S90 PolarHBondContact OD1-N 2.85Å; D88-S90 PolarHBondContact OD1-OG 3.12Å; D88-S90 PolarHBondContact OD2-OG 3.19Å |
| 89 | G | 94.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 84.6 | -1.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N86 P87 T135 | N86-G89 PolarHBondContact O-N 2.95Å; P87-G89 PolarHBondContact O-N 3.16Å; G89-T135 WeakPolarHBondContact O-CG2 3.25Å |
| 90 | S | 96.7 | Very high | 95.7 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | trans | -67.2 | 143.5 | 176.3 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | M85 N86 D88 | M85-S90 WeakPolarHBondContact CA-O 3.26Å; N86-S90 VanDerWaalsContact CB-OG 3.29Å; N86-S90 WeakPolarHBondContact CB-OG 3.33Å; N86-S90 PolarHBondContact N-O 2.81Å; N86-S90 PolarHBondContact ND2-OG 3Å; D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 WeakPolarHBondContact OD1-CB 3.31Å; D88-S90 PolarHBondContact OD1-N 2.85Å; D88-S90 PolarHBondContact OD1-OG 3.12Å; D88-S90 PolarHBondContact OD2-OG 3.19Å | ||
| 91 | L | 97.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.2 | -179.2 | -72.6 | 173 | 0 | 0 | 0 | 110.3 | Q84 M85 I125 L133 T135 A181 | Q84-L91 WeakPolarHBondContact O-CD2 3.15Å; M85-L91 HydrophobicContact CB-CD2 3.87Å; M85-L91 HydrophobicContact CE-CD2 3.88Å; M85-L91 HydrophobicContact CG-CD2 4.03Å; L91-I125 HydrophobicContact CD1-CB 4.49Å; L91-I125 HydrophobicContact CD1-CD1 4.29Å; L91-I125 HydrophobicContact CD1-CG1 4.07Å; L91-I125 HydrophobicContact CD1-CG2 3.91Å; L91-I125 HydrophobicContact CD2-CD1 3.91Å; L91-I125 HydrophobicContact CD2-CG1 4.08Å; L91-L133 HydrophobicContact CD1-CB 4.35Å; L91-T135 HydrophobicContact CD1-CG2 4.19Å; L91-T135 HydrophobicContact CG-CG2 4.13Å; L91-A181 HydrophobicContact CB-CB 4.33Å; L91-A181 VanDerWaalsContact O-CB 3.25Å; L91-A181 WeakPolarHBondContact O-CB 3.25Å |
| 92 | D | 97.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | -161.8 | 178.6 | 64 | -2 | 0 | 0 | 0 | 110.7 | Q84 N86 G179 | Q84-D92 PolarHBondContact N-O 2.93Å; Q84-D92 PolarHBondContact O-N 2.83Å; N86-D92 PolarHBondContact ND2-OD1 3.12Å; N86-D92 PolarHBondContact ND2-OD2 2.92Å; D92-G179 CarbonylContact C-O 3.47Å |
| 93 | G | 98.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y81 Y82 G179 | Y81-G93 WeakPolarHBondContact CD1-O 3.43Å; Y82-G93 CarbonylContact O-C 3.6Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.35Å; G93-G179 VanDerWaalsContact CA-O 3.27Å; G93-G179 WeakPolarHBondContact CA-O 3.31Å; G93-G179 PolarHBondContact N-O 2.69Å |
| 94 | T | 98.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 156.8 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | Y81 Y82 Q84 D96 T102 | Y81-T94 CarbonylContact C-O 3.57Å; Y81-T94 WeakPolarHBondContact CA-O 3.46Å; Y82-T94 PolarHBondContact N-O 2.9Å; Y82-T94 PolarHBondContact O-N 3.27Å; Q84-T94 HydrophobicContact CB-CG2 4.01Å; T94-D96 WeakPolarHBondContact CG2-O 3.34Å; T94-D96 PolarHBondContact OG1-N 3Å; T94-D96 VanDerWaalsContact OG1-N 3.11Å; T94-T102 HydrophobicContact CG2-CG2 3.46Å; T94-T102 VanDerWaalsContact CG2-CG2 3.46Å |
| 95 | K | 97 | Very high | 95.6 | Very high | 152 Ų | 152 | 46.6 Ų | 46.6 | 66% | 0.661 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -89.9 | -13.8 | 169.5 | -66.2 | -177.6 | 179.5 | 177.7 | 0 | 112.4 | Y81 | Y81-K95 HydrophobicContact CD1-CG 4.07Å; Y81-K95 HydrophobicContact CE1-CG 4.08Å |
| 96 | D | 93.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | trans | -87.2 | 115.3 | -179.9 | 174.1 | 32.4 | 0 | 0 | 0 | 111.1 | T94 S98 T102 | T94-D96 WeakPolarHBondContact CG2-O 3.34Å; T94-D96 PolarHBondContact OG1-N 3Å; T94-D96 VanDerWaalsContact OG1-N 3.11Å; D96-S98 VanDerWaalsContact CG-OG 3.26Å; D96-S98 VanDerWaalsContact OD1-CB 3.25Å; D96-S98 WeakPolarHBondContact OD1-CB 3.32Å; D96-S98 PolarHBondContact OD1-N 3.42Å; D96-S98 PolarHBondContact OD1-OG 2.72Å; D96-S98 PolarHBondContact OD2-OG 3.38Å; D96-T102 WeakPolarHBondContact O-CG2 3.43Å | ||
| 97 | D | 88.9 | Confident | 95.7 | Very high | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | trans | -95.2 | -1.5 | 173.2 | 53.1 | 14.6 | 0 | 0 | 0 | 114.3 | R74 Y82 S99 | R74-D97 PolarHBondContact NE-O 3.18Å; R74-D97 PolarHBondContact NH2-O 3.41Å; Y82-D97 HydrophobicContact CD2-CB 3.87Å; Y82-D97 HydrophobicContact CE1-CB 4.26Å; Y82-D97 HydrophobicContact CE2-CB 3.46Å; Y82-D97 VanDerWaalsContact CE2-CB 3.46Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.49Å; Y82-D97 HydrophobicContact CG-CB 4.4Å; Y82-D97 PolarHBondContact OH-OD2 3.14Å; D97-S99 VanDerWaalsContact C-N 3.25Å; D97-S99 PolarHBondContact O-N 3.36Å | ||
| 98 | S | 87.5 | Confident | 95.8 | Very high | 92 Ų | 92 | 43.6 Ų | 43.6 | 64% | 0.643 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -71.1 | -24.7 | 178.7 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | D96 | D96-S98 VanDerWaalsContact CG-OG 3.26Å; D96-S98 VanDerWaalsContact OD1-CB 3.25Å; D96-S98 WeakPolarHBondContact OD1-CB 3.32Å; D96-S98 PolarHBondContact OD1-N 3.42Å; D96-S98 PolarHBondContact OD1-OG 2.72Å; D96-S98 PolarHBondContact OD2-OG 3.38Å |
| 99 | S | 86.7 | Confident | 95.9 | Very high | 28 Ų | 28 | 39 Ų | 39 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -80.4 | 140 | -176.9 | 67.9 | 0 | 0 | 0 | 0 | 113.7 | D97 S101 T102 | D97-S99 VanDerWaalsContact C-N 3.25Å; D97-S99 PolarHBondContact O-N 3.36Å; S99-S101 WeakPolarHBondContact CB-OG 3.35Å; S99-S101 PolarHBondContact O-N 2.79Å; S99-S101 VanDerWaalsContact O-N 3.16Å; S99-S101 PolarHBondContact OG-OG 3.42Å; S99-T102 PolarHBondContact O-N 3.1Å; S99-T102 PolarHBondContact O-OG1 3.19Å |
| 100 | N | 93.6 | Very high | 96.1 | Very high | 98 Ų | 98 | 40.4 Ų | 40.4 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -67.4 | -10.1 | 174.9 | -71.5 | -14.4 | 0 | 0 | 0 | 113.6 | T102 L103 | N100-T102 PolarHBondContact O-N 3.13Å; N100-L103 HydrophobicContact CB-CD1 4.24Å; N100-L103 PolarHBondContact O-N 2.91Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.32Å |
| 101 | S | 96.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -71.4 | -12.3 | 175.8 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | Q84 M85 S99 | Q84-S101 WeakPolarHBondContact CA-O 3.33Å; Q84-S101 VanDerWaalsContact CD-OG 3.29Å; Q84-S101 PolarHBondContact NE2-OG 3.06Å; M85-S101 PolarHBondContact N-O 2.9Å; M85-S101 WeakPolarHBondContact O-CB 3.42Å; S99-S101 WeakPolarHBondContact CB-OG 3.35Å; S99-S101 PolarHBondContact O-N 2.79Å; S99-S101 VanDerWaalsContact O-N 3.16Å; S99-S101 PolarHBondContact OG-OG 3.42Å |
| 102 | T | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -92.7 | -2.7 | 173.8 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | R74 L83 Q84 T94 D96 S99 N100 F104 | R74-T102 PolarHBondContact NE-OG1 2.88Å; R74-T102 VanDerWaalsContact NE-OG1 3.12Å; L83-T102 WeakPolarHBondContact O-CA 3.33Å; Q84-T102 HydrophobicContact CB-CG2 4.36Å; T94-T102 HydrophobicContact CG2-CG2 3.46Å; T94-T102 VanDerWaalsContact CG2-CG2 3.46Å; D96-T102 WeakPolarHBondContact O-CG2 3.43Å; S99-T102 PolarHBondContact O-N 3.1Å; S99-T102 PolarHBondContact O-OG1 3.19Å; N100-T102 PolarHBondContact O-N 3.13Å; T102-F104 VanDerWaalsContact O-CD2 3.3Å; T102-F104 WeakPolarHBondContact O-CD2 3.35Å; T102-F104 WeakPolarHBondContact O-CE2 3.37Å |
| 103 | L | 98.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | trans | -90.7 | 127.3 | -177.5 | -64.8 | 176.1 | 0 | 0 | 0 | 111.2 | V72 R74 N100 V119 L201 | V72-L103 HydrophobicContact CG1-CD2 4.46Å; R74-L103 HydrophobicContact CG-CD2 3.95Å; N100-L103 HydrophobicContact CB-CD1 4.24Å; N100-L103 PolarHBondContact O-N 2.91Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.32Å; L103-V119 HydrophobicContact CB-CB 3.94Å; L103-V119 HydrophobicContact CB-CG2 3.88Å; L103-V119 PolarHBondContact O-N 3.39Å; L103-L201 HydrophobicContact CD2-CD1 4.09Å; L103-L201 HydrophobicContact CD2-CD2 3.62Å | ||
| 104 | F | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.1 | 178.3 | -62.2 | -86.9 | 0 | 0 | 0 | 111.8 | V72 T73 L83 M85 T102 L106 I116 Q117 I125 | V72-F104 WeakPolarHBondContact CA-O 3.39Å; T73-F104 PolarHBondContact N-O 3.39Å; T73-F104 PolarHBondContact O-N 2.93Å; L83-F104 HydrophobicContact CB-CE2 4.1Å; L83-F104 HydrophobicContact CB-CZ 4.47Å; L83-F104 HydrophobicContact CD2-CE2 4.08Å; L83-F104 HydrophobicContact CD2-CZ 3.97Å; L83-F104 HydrophobicContact CG-CE2 4.01Å; L83-F104 HydrophobicContact CG-CZ 3.89Å; L83-F104 WeakPolarHBondContact O-CE2 3.41Å; M85-F104 HydrophobicContact CB-CE1 4.16Å; M85-F104 HydrophobicContact CB-CZ 4.24Å; M85-F104 HydrophobicContact CE-CE1 4.38Å; T102-F104 VanDerWaalsContact O-CD2 3.3Å; T102-F104 WeakPolarHBondContact O-CD2 3.35Å; T102-F104 WeakPolarHBondContact O-CE2 3.37Å; F104-L106 HydrophobicContact CB-CD1 4.48Å; F104-I116 HydrophobicContact CB-CG2 4.03Å; F104-I116 HydrophobicContact CD1-CG2 3.74Å; F104-I116 HydrophobicContact CG-CG2 4.01Å; F104-Q117 CarbonylContact C-O 3.4Å; F104-Q117 WeakPolarHBondContact CA-O 3.46Å; F104-I125 HydrophobicContact CD1-CD1 4.42Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å |
| 105 | N | 98.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 118 | 161.4 | -60.2 | -43.7 | 0 | 0 | 0 | 108.3 | I107 Q117 V119 Y206 | N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.95Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.23Å; N105-Q117 PolarHBondContact ND2-OE1 2.85Å; N105-Q117 PolarHBondContact O-N 3.25Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.43Å; N105-Y206 HydrophobicContact CB-CE1 3.68Å; N105-Y206 WeakPolarHBondContact CB-OH 3.48Å; N105-Y206 VanDerWaalsContact CG-CE1 3.42Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.25Å; N105-Y206 PolarHBondContact OD1-OH 2.85Å |
| 106 | L | 98.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 99.3 | 168.1 | -113.4 | 69.3 | 0 | 0 | 0 | 108.6 | G70 I71 T73 L75 F104 I116 Y157 | G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.43Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 PolarHBondContact N-O 2.96Å; I71-L106 PolarHBondContact O-N 2.98Å; T73-L106 HydrophobicContact CG2-CB 4.17Å; T73-L106 HydrophobicContact CG2-CD1 3.75Å; T73-L106 HydrophobicContact CG2-CD2 4.16Å; T73-L106 HydrophobicContact CG2-CG 4.24Å; L75-L106 HydrophobicContact CD1-CD1 4.18Å; L75-L106 HydrophobicContact CD2-CD1 4.29Å; L75-L106 HydrophobicContact CD2-CD2 4.45Å; L75-L106 HydrophobicContact CG-CD1 4.49Å; F104-L106 HydrophobicContact CB-CD1 4.48Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CG1 4.01Å; L106-I116 HydrophobicContact CD1-CG2 4.05Å; L106-Y157 HydrophobicContact CD2-CE1 4.37Å |
| 107 | I | 98.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.8 | -171.9 | -52.2 | 174 | 0 | 0 | 0 | 108.7 | L68 N105 V109 V114 A115 Y206 P209 | L68-I107 HydrophobicContact CB-CG2 4.39Å; L68-I107 HydrophobicContact CD1-CG2 3.83Å; N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.95Å; I107-V109 HydrophobicContact CG2-CG1 4.24Å; I107-V109 PolarHBondContact O-N 2.96Å; I107-V114 CarbonylContact O-C 3.51Å; I107-V114 VanDerWaalsContact O-CA 3.25Å; I107-V114 WeakPolarHBondContact O-CA 3.14Å; I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 3.2Å; I107-A115 PolarHBondContact O-N 3.09Å; I107-Y206 HydrophobicContact CD1-CD1 3.9Å; I107-Y206 HydrophobicContact CD1-CE1 4.37Å; I107-Y206 HydrophobicContact CD1-CG 4.1Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 4.02Å; I107-Y206 HydrophobicContact CG1-CE1 4.26Å; I107-Y206 HydrophobicContact CG1-CE2 4.27Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.29Å; I107-P209 HydrophobicContact CG2-CG 4.47Å |
| 108 | P | 98.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 108.1 | -179.8 | 30.1 | -33.6 | 0 | 0 | 0 | 110.5 | L68 K69 | L68-P108 HydrophobicContact CB-CG 4.34Å; L68-P108 WeakPolarHBondContact CD1-O 3.43Å; K69-P108 WeakPolarHBondContact O-CG 3.38Å |
| 109 | V | 97.7 | Very high | 97.4 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 17% | 0.17 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 11.9 | -178.3 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | I107 V113 A115 F139 K144 P209 | I107-V109 HydrophobicContact CG2-CG1 4.24Å; I107-V109 PolarHBondContact O-N 2.96Å; V109-V113 HydrophobicContact CG2-CB 4.36Å; V109-V113 HydrophobicContact CG2-CG1 3.8Å; V109-V113 PolarHBondContact N-O 2.87Å; V109-A115 HydrophobicContact CG1-CB 3.97Å; V109-F139 HydrophobicContact CB-CZ 4.02Å; V109-F139 HydrophobicContact CG1-CE1 4.44Å; V109-F139 HydrophobicContact CG1-CE2 4.32Å; V109-F139 HydrophobicContact CG1-CZ 3.81Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; V109-K144 HydrophobicContact CG2-CG 4.22Å; V109-P209 HydrophobicContact CG1-CG 4.47Å |
| 110 | G | 97 | Very high | 97.9 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 42% | 0.423 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | 176.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R112 V113 | G110-R112 PolarHBondContact O-N 3.48Å; G110-V113 PolarHBondContact N-O 2.92Å; G110-V113 PolarHBondContact O-N 2.76Å; G110-V113 VanDerWaalsContact O-N 3.09Å |
| 111 | L | 97.1 | Very high | 98 | Very high | 162 Ų | 162 | 36.4 Ų | 36.4 | 85% | 0.848 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 109.2 | 176.8 | 178.1 | 64.2 | 0 | 0 | 0 | 110.1 | V113 | L111-V113 PolarHBondContact O-N 2.77Š|
| 112 | R | 97.6 | Very high | 98.1 | Very high | 152 Ų | 152 | 37.7 Ų | 37.7 | 57% | 0.574 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.9 | -175.4 | -57.2 | -64.8 | -169.3 | 169.5 | 1.3 | 113 | G110 K146 E147 | G110-R112 PolarHBondContact O-N 3.48Å; R112-K146 CarbonylContact O-C 3.58Å; R112-K146 WeakPolarHBondContact O-CA 2.99Å; R112-E147 HydrophobicContact CB-CG 4.15Å; R112-E147 WeakPolarHBondContact CD-OE1 3.31Å; R112-E147 IonicContact NH1-OE1 3.41Å; R112-E147 PolarHBondContact NH1-OE1 3.35Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.38Å; R112-E147 PolarHBondContact O-N 3.47Å |
| 113 | V | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.097 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.3 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | V109 G110 L111 K144 F145 M160 | V109-V113 HydrophobicContact CG2-CB 4.36Å; V109-V113 HydrophobicContact CG2-CG1 3.8Å; V109-V113 PolarHBondContact N-O 2.87Å; G110-V113 PolarHBondContact N-O 2.92Å; G110-V113 PolarHBondContact O-N 2.76Å; G110-V113 VanDerWaalsContact O-N 3.09Å; L111-V113 PolarHBondContact O-N 2.77Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.4Å; V113-F145 CarbonylContact C-O 3.57Å; V113-F145 WeakPolarHBondContact CA-O 3.33Å; V113-M160 HydrophobicContact CG1-CG 3.91Å; V113-M160 HydrophobicContact CG1-SD 4.46Å; V113-M160 HydrophobicContact CG2-CE 4.31Å; V113-M160 HydrophobicContact CG2-CG 4.32Å; V113-M160 HydrophobicContact CG2-SD 3.78Å |
| 114 | V | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.5 | -179.2 | -63 | 0 | 0 | 0 | 0 | 110.7 | I107 I116 F145 E147 Y157 | I107-V114 CarbonylContact O-C 3.51Å; I107-V114 VanDerWaalsContact O-CA 3.25Å; I107-V114 WeakPolarHBondContact O-CA 3.14Å; V114-I116 HydrophobicContact CG2-CG1 4.2Å; V114-F145 HydrophobicContact CG2-CB 4.38Å; V114-F145 PolarHBondContact N-O 2.89Å; V114-F145 PolarHBondContact O-N 3.43Å; V114-E147 HydrophobicContact CG1-CG 4.31Å; V114-Y157 HydrophobicContact CG2-CD1 3.88Å; V114-Y157 HydrophobicContact CG2-CE1 3.85Å |
| 115 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 141.7 | 156 | 0 | 0 | 0 | 0 | 0 | 108.1 | I107 V109 Y124 F139 | I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 3.2Å; I107-A115 PolarHBondContact O-N 3.09Å; V109-A115 HydrophobicContact CG1-CB 3.97Å; A115-Y124 HydrophobicContact CB-CD1 4.07Å; A115-Y124 HydrophobicContact CB-CE1 4.09Å; A115-F139 HydrophobicContact CB-CD2 4.13Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.45Å |
| 116 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.2 | 178 | -53.4 | 174.9 | 0 | 0 | 0 | 106.7 | L75 F104 L106 V114 Y124 I125 F145 Y157 L173 | L75-I116 HydrophobicContact CD1-CD1 4.32Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; F104-I116 HydrophobicContact CB-CG2 4.03Å; F104-I116 HydrophobicContact CD1-CG2 3.74Å; F104-I116 HydrophobicContact CG-CG2 4.01Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CG1 4.01Å; L106-I116 HydrophobicContact CD1-CG2 4.05Å; V114-I116 HydrophobicContact CG2-CG1 4.2Å; I116-Y124 WeakPolarHBondContact O-CA 3.1Å; I116-I125 HydrophobicContact CB-CB 4.45Å; I116-I125 HydrophobicContact CB-CD1 4.42Å; I116-I125 HydrophobicContact CG2-CD1 3.85Å; I116-I125 HydrophobicContact CG2-CG1 4.35Å; I116-I125 PolarHBondContact O-N 3.02Å; I116-F145 HydrophobicContact CD1-CD2 4.25Å; I116-F145 HydrophobicContact CG1-CD2 4.46Å; I116-Y157 HydrophobicContact CD1-CD1 4.17Å; I116-Y157 HydrophobicContact CD1-CD2 4.5Å; I116-Y157 HydrophobicContact CD1-CG 4.17Å; I116-L173 HydrophobicContact CD1-CD2 4.08Å |
| 117 | Q | 98.7 | Very high | 98.1 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.3 | -176.6 | -171.9 | -167.9 | 39.2 | 0 | 0 | 109.9 | F104 N105 V119 G122 L123 Y124 | F104-Q117 CarbonylContact C-O 3.4Å; F104-Q117 WeakPolarHBondContact CA-O 3.46Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.23Å; N105-Q117 PolarHBondContact ND2-OE1 2.85Å; N105-Q117 PolarHBondContact O-N 3.25Å; Q117-V119 PolarHBondContact O-N 3.33Å; Q117-G122 VanDerWaalsContact CG-O 3.32Å; Q117-G122 WeakPolarHBondContact CG-O 3.25Å; Q117-G122 PolarHBondContact NE2-O 2.93Å; Q117-L123 CarbonylContact C-O 3.52Å; Q117-L123 WeakPolarHBondContact CA-O 3.37Å; Q117-L123 WeakPolarHBondContact CG-O 3.5Å; Q117-Y124 HydrophobicContact CB-CD1 3.75Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.5Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.97Å; Q117-Y124 HydrophobicContact CG-CG 4.43Å |
| 118 | S | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 130.2 | 172.5 | 168.1 | 0 | 0 | 0 | 0 | 110.3 | M85 K120 T121 G122 L123 | M85-S118 WeakPolarHBondContact SD-CB 3.26Å; S118-K120 VanDerWaalsContact C-N 3.28Å; S118-K120 PolarHBondContact OG-N 3.08Å; S118-T121 WeakPolarHBondContact CB-OG1 3.36Å; S118-T121 PolarHBondContact OG-N 3.12Å; S118-T121 PolarHBondContact OG-OG1 2.96Å; S118-G122 VanDerWaalsContact O-CA 3.31Å; S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.97Å; S118-L123 PolarHBondContact N-O 3.49Å |
| 119 | V | 97.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 38% | 0.382 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -37.3 | 174.4 | 175 | 0 | 0 | 0 | 0 | 110.4 | V72 L103 N105 Q117 | V72-V119 HydrophobicContact CG1-CG2 4.12Å; L103-V119 HydrophobicContact CB-CB 3.94Å; L103-V119 HydrophobicContact CB-CG2 3.88Å; L103-V119 PolarHBondContact O-N 3.39Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.43Å; Q117-V119 PolarHBondContact O-N 3.33Å |
| 120 | K | 96.4 | Very high | 98.1 | Very high | 114 Ų | 114 | 43.5 Ų | 43.5 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -42.8 | -173.8 | -175.6 | 177 | 179 | 179.4 | 0 | 113 | S118 | S118-K120 VanDerWaalsContact C-N 3.28Å; S118-K120 PolarHBondContact OG-N 3.08Å |
| 121 | T | 97.4 | Very high | 98.2 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -16.6 | -172.9 | 59 | 0 | 0 | 0 | 0 | 113.2 | M85 S118 L123 | M85-T121 PolarHBondContact SD-OG1 3.49Å; S118-T121 WeakPolarHBondContact CB-OG1 3.36Å; S118-T121 PolarHBondContact OG-N 3.12Å; S118-T121 PolarHBondContact OG-OG1 2.96Å; T121-L123 PolarHBondContact O-N 2.91Å; T121-L123 PolarHBondContact OG1-N 3.46Å |
| 122 | G | 97.7 | Very high | 98.2 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | trans | 72.9 | 0.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q117 S118 | Q117-G122 VanDerWaalsContact CG-O 3.32Å; Q117-G122 WeakPolarHBondContact CG-O 3.25Å; Q117-G122 PolarHBondContact NE2-O 2.93Å; S118-G122 VanDerWaalsContact O-CA 3.31Å; S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.97Å | ||
| 123 | L | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 142 | 179 | -58.1 | 175 | 0 | 0 | 0 | 111.2 | M85 Q117 S118 T121 E137 | M85-L123 HydrophobicContact CE-CB 4.23Å; M85-L123 HydrophobicContact SD-CB 3.78Å; M85-L123 HydrophobicContact SD-CD1 4.22Å; M85-L123 HydrophobicContact SD-CG 4.48Å; Q117-L123 CarbonylContact C-O 3.52Å; Q117-L123 WeakPolarHBondContact CA-O 3.37Å; Q117-L123 WeakPolarHBondContact CG-O 3.5Å; S118-L123 PolarHBondContact N-O 3.49Å; T121-L123 PolarHBondContact O-N 2.91Å; T121-L123 PolarHBondContact OG1-N 3.46Å; L123-E137 HydrophobicContact CD2-CB 4.22Å; L123-E137 HydrophobicContact CD2-CG 3.39Å |
| 124 | Y | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 143 | 170.4 | -63.4 | -82.4 | 0 | 0 | 0 | 110.6 | A115 I116 Q117 T135 S136 F139 | A115-Y124 HydrophobicContact CB-CD1 4.07Å; A115-Y124 HydrophobicContact CB-CE1 4.09Å; I116-Y124 WeakPolarHBondContact O-CA 3.1Å; Q117-Y124 HydrophobicContact CB-CD1 3.75Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.5Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.97Å; Q117-Y124 HydrophobicContact CG-CG 4.43Å; Y124-T135 CarbonylContact O-C 3.49Å; Y124-T135 VanDerWaalsContact O-CA 3.24Å; Y124-T135 WeakPolarHBondContact O-CA 3.25Å; Y124-S136 PolarHBondContact N-O 2.76Å; Y124-S136 PolarHBondContact O-N 2.95Å; Y124-F139 HydrophobicContact CD1-CD2 4.19Å; Y124-F139 HydrophobicContact CD2-CB 4.3Å; Y124-F139 HydrophobicContact CE1-CD2 4.14Å; Y124-F139 HydrophobicContact CE2-CB 3.91Å |
| 125 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.3 | 161.3 | -57.6 | -176.6 | 0 | 0 | 0 | 107.6 | L83 M85 L91 F104 I116 L133 C143 F145 | L83-I125 HydrophobicContact CD2-CD1 3.74Å; M85-I125 HydrophobicContact CE-CG1 3.81Å; L91-I125 HydrophobicContact CD1-CB 4.49Å; L91-I125 HydrophobicContact CD1-CD1 4.29Å; L91-I125 HydrophobicContact CD1-CG1 4.07Å; L91-I125 HydrophobicContact CD1-CG2 3.91Å; L91-I125 HydrophobicContact CD2-CD1 3.91Å; L91-I125 HydrophobicContact CD2-CG1 4.08Å; F104-I125 HydrophobicContact CD1-CD1 4.42Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å; I116-I125 HydrophobicContact CB-CB 4.45Å; I116-I125 HydrophobicContact CB-CD1 4.42Å; I116-I125 HydrophobicContact CG2-CD1 3.85Å; I116-I125 HydrophobicContact CG2-CG1 4.35Å; I116-I125 PolarHBondContact O-N 3.02Å; I125-L133 HydrophobicContact CG2-CD2 4.35Å; I125-C143 WeakPolarHBondContact O-CA 3.49Å; I125-F145 HydrophobicContact CB-CE2 4.4Å; I125-F145 HydrophobicContact CG2-CE2 4.14Å; I125-F145 HydrophobicContact CG2-CZ 4.03Å; I125-F145 WeakPolarHBondContact O-CE2 3.37Å |
| 126 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 160.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L133 Y134 E142 | A126-L133 WeakPolarHBondContact O-CA 3.35Å; A126-Y134 HydrophobicContact CB-CD1 3.97Å; A126-Y134 HydrophobicContact CB-CD2 4.29Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.77Å; A126-Y134 HydrophobicContact CB-CG 4.37Å; A126-Y134 PolarHBondContact N-O 2.77Å; A126-Y134 PolarHBondContact O-N 2.83Å; A126-E142 WeakPolarHBondContact CA-O 3.38Å; A126-E142 HydrophobicContact CB-CB 4.18Å |
| 127 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 122.3 | 175.2 | -175.1 | -178.2 | -67.5 | 0 | 0 | 110 | H132 L133 E142 F145 Y162 W171 | M127-H132 WeakPolarHBondContact CA-O 3.5Å; M127-L133 HydrophobicContact CB-CD2 4.07Å; M127-L133 HydrophobicContact CE-CD2 3.53Å; M127-L133 HydrophobicContact CE-CG 4.33Å; M127-L133 HydrophobicContact CG-CD2 4.34Å; M127-E142 PolarHBondContact N-O 3.41Å; M127-E142 VanDerWaalsContact N-O 3.12Å; M127-E142 WeakPolarHBondContact O-CB 3.41Å; M127-F145 HydrophobicContact CB-CE1 4.31Å; M127-F145 HydrophobicContact CB-CZ 4.27Å; M127-F145 HydrophobicContact CE-CE1 4.3Å; M127-Y162 WeakPolarHBondContact O-CD2 3.24Å; M127-Y162 WeakPolarHBondContact O-CE2 2.68Å; M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.2Å |
| 128 | N | 98.2 | Very high | 98.1 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | trans | -82.4 | 173.1 | -177.4 | 75 | 8.4 | 0 | 0 | 0 | 113.4 | E130 G131 H132 Y134 E142 Y162 | N128-E130 PolarHBondContact O-N 3.11Å; N128-E130 VanDerWaalsContact O-N 3.11Å; N128-E130 WeakPolarHBondContact OD1-CB 3.32Å; N128-E130 PolarHBondContact OD1-N 3.18Å; N128-E130 VanDerWaalsContact OD1-N 3.1Å; N128-G131 WeakPolarHBondContact O-CA 3.4Å; N128-G131 PolarHBondContact O-N 3.29Å; N128-G131 PolarHBondContact OD1-N 3.04Å; N128-H132 PolarHBondContact N-O 3.06Å; N128-H132 PolarHBondContact OD1-N 3.19Å; N128-Y134 HydrophobicContact CB-CD1 4.09Å; N128-Y134 HydrophobicContact CB-CE1 3.83Å; N128-E142 VanDerWaalsContact CA-OE1 3.32Å; N128-E142 WeakPolarHBondContact CA-OE1 3.34Å; N128-Y162 VanDerWaalsContact C-CD2 3.49Å; N128-Y162 VanDerWaalsContact O-CD2 3.25Å; N128-Y162 WeakPolarHBondContact O-CD2 3.45Å | ||
| 129 | G | 97.9 | Very high | 98.1 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -16.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y162 W171 | G129-Y162 VanDerWaalsContact N-CE2 3.31Å; G129-W171 WeakPolarHBondContact O-CH2 3.48Å; G129-W171 WeakPolarHBondContact O-CZ3 3.44Å |
| 130 | E | 97.8 | Very high | 98.1 | Very high | 118 Ų | 118 | 41.7 Ų | 41.7 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -18.8 | 171.6 | -59.2 | -178.7 | 169.5 | 0 | 0 | 111.9 | N128 H132 W171 K183 | N128-E130 PolarHBondContact O-N 3.11Å; N128-E130 VanDerWaalsContact O-N 3.11Å; N128-E130 WeakPolarHBondContact OD1-CB 3.32Å; N128-E130 PolarHBondContact OD1-N 3.18Å; N128-E130 VanDerWaalsContact OD1-N 3.1Å; E130-H132 IonicContact OE2-CE1 3.06Å; E130-H132 PolarHBondContact OE2-CE1 2.9Å; E130-H132 IonicContact OE2-ND1 2.9Å; E130-H132 PolarHBondContact OE2-ND1 3.13Å; E130-W171 VanDerWaalsContact C-CZ3 3.46Å; E130-K183 WeakPolarHBondContact O-CE 3.27Å; E130-K183 PolarHBondContact O-NZ 3.04Å |
| 131 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | 96.6 | 9.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N128 W171 K183 G184 | N128-G131 WeakPolarHBondContact O-CA 3.4Å; N128-G131 PolarHBondContact O-N 3.29Å; N128-G131 PolarHBondContact OD1-N 3.04Å; G131-W171 VanDerWaalsContact CA-CE3 3.46Å; G131-K183 CarbonylContact O-C 3.55Å; G131-K183 WeakPolarHBondContact O-CA 3.37Å; G131-K183 WeakPolarHBondContact O-CG 3.44Å; G131-G184 PolarHBondContact O-N 2.71Å | ||
| 132 | H | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 36 Ų | 36 | 35% | 0.352 | 20% | 0.197 | S | C | . | . | trans | -74.2 | 134.9 | 172.2 | -62 | 116.2 | 0 | 0 | 0 | 109.5 | M127 N128 E130 K183 | M127-H132 WeakPolarHBondContact CA-O 3.5Å; N128-H132 PolarHBondContact N-O 3.06Å; N128-H132 PolarHBondContact OD1-N 3.19Å; E130-H132 IonicContact OE2-CE1 3.06Å; E130-H132 PolarHBondContact OE2-CE1 2.9Å; E130-H132 IonicContact OE2-ND1 2.9Å; E130-H132 PolarHBondContact OE2-ND1 3.13Å; H132-K183 PolarHBondContact CE1-NZ 2.92Å; H132-K183 PolarHBondContact NE2-NZ 3.08Å; H132-K183 VanDerWaalsContact NE2-NZ 3.19Å | ||
| 133 | L | 98.5 | Very high | 98.3 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 137.3 | 168.5 | -66.2 | 170.4 | 0 | 0 | 0 | 108.3 | L91 I125 A126 M127 F145 L173 A181 | L91-L133 HydrophobicContact CD1-CB 4.35Å; I125-L133 HydrophobicContact CG2-CD2 4.35Å; A126-L133 WeakPolarHBondContact O-CA 3.35Å; M127-L133 HydrophobicContact CB-CD2 4.07Å; M127-L133 HydrophobicContact CE-CD2 3.53Å; M127-L133 HydrophobicContact CE-CG 4.33Å; M127-L133 HydrophobicContact CG-CD2 4.34Å; L133-F145 HydrophobicContact CD2-CZ 4.41Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.15Å; L133-L173 HydrophobicContact CG-CD1 4.44Å; L133-A181 HydrophobicContact CD1-CB 4.28Å |
| 134 | Y | 98.3 | Very high | 98.3 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 174 | 177 | 74.1 | -82.7 | 0 | 0 | 0 | 109.6 | A126 N128 E142 | A126-Y134 HydrophobicContact CB-CD1 3.97Å; A126-Y134 HydrophobicContact CB-CD2 4.29Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.77Å; A126-Y134 HydrophobicContact CB-CG 4.37Å; A126-Y134 PolarHBondContact N-O 2.77Å; A126-Y134 PolarHBondContact O-N 2.83Å; N128-Y134 HydrophobicContact CB-CD1 4.09Å; N128-Y134 HydrophobicContact CB-CE1 3.83Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.94Å |
| 135 | T | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.9 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | M85 G89 L91 Y124 | M85-T135 HydrophobicContact CE-CG2 3.52Å; M85-T135 HydrophobicContact CG-CG2 4.38Å; M85-T135 HydrophobicContact SD-CG2 3.91Å; G89-T135 WeakPolarHBondContact O-CG2 3.25Å; L91-T135 HydrophobicContact CD1-CG2 4.19Å; L91-T135 HydrophobicContact CG-CG2 4.13Å; Y124-T135 CarbonylContact O-C 3.49Å; Y124-T135 VanDerWaalsContact O-CA 3.24Å; Y124-T135 WeakPolarHBondContact O-CA 3.25Å |
| 136 | S | 98.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135 | -179.3 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | Y124 L138 | Y124-S136 PolarHBondContact N-O 2.76Å; Y124-S136 PolarHBondContact O-N 2.95Å; S136-L138 WeakPolarHBondContact CB-O 3.41Å; S136-L138 PolarHBondContact OG-N 2.93Å; S136-L138 PolarHBondContact OG-O 3.16Å |
| 137 | E | 97.3 | Very high | 98.3 | Very high | 159 Ų | 159 | 40.8 Ų | 40.8 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -70.4 | -40 | 168.5 | -69.5 | 179.3 | -175.7 | 0 | 0 | 111.1 | L123 | L123-E137 HydrophobicContact CD2-CB 4.22Å; L123-E137 HydrophobicContact CD2-CG 3.39Å |
| 138 | L | 97.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -89.7 | 138.9 | -178.5 | -58.7 | -179.8 | 0 | 0 | 0 | 110.6 | S136 T140 H212 E216 T217 | S136-L138 WeakPolarHBondContact CB-O 3.41Å; S136-L138 PolarHBondContact OG-N 2.93Å; S136-L138 PolarHBondContact OG-O 3.16Å; L138-T140 HydrophobicContact CB-CG2 4.42Å; L138-T140 PolarHBondContact O-N 3.06Å; L138-H212 HydrophobicContact CB-CB 4.22Å; L138-H212 HydrophobicContact CD1-CB 4.31Å; L138-E216 HydrophobicContact CD1-CB 4.37Å; L138-T217 HydrophobicContact CB-CG2 4.4Å; L138-T217 HydrophobicContact CD1-CG2 4.45Å |
| 139 | F | 98.4 | Very high | 98.3 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | trans | -75.8 | 107.5 | 171.1 | 178.7 | -113.4 | 0 | 0 | 0 | 110 | V109 A115 Y124 C143 K144 P209 L211 H212 | V109-F139 HydrophobicContact CB-CZ 4.02Å; V109-F139 HydrophobicContact CG1-CE1 4.44Å; V109-F139 HydrophobicContact CG1-CE2 4.32Å; V109-F139 HydrophobicContact CG1-CZ 3.81Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; A115-F139 HydrophobicContact CB-CD2 4.13Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.45Å; Y124-F139 HydrophobicContact CD1-CD2 4.19Å; Y124-F139 HydrophobicContact CD2-CB 4.3Å; Y124-F139 HydrophobicContact CE1-CD2 4.14Å; Y124-F139 HydrophobicContact CE2-CB 3.91Å; F139-C143 HydrophobicContact CD2-CB 3.59Å; F139-C143 HydrophobicContact CE2-CB 3.76Å; F139-K144 HydrophobicContact CE2-CG 4.1Å; F139-K144 HydrophobicContact CZ-CD 4.3Å; F139-K144 HydrophobicContact CZ-CG 3.78Å; F139-P209 HydrophobicContact CB-CB 3.76Å; F139-P209 HydrophobicContact CD1-CB 3.58Å; F139-P209 HydrophobicContact CD2-CB 4.33Å; F139-P209 HydrophobicContact CE1-CB 4.21Å; F139-P209 HydrophobicContact CG-CB 3.63Å; F139-P209 HydrophobicContact CG-CG 4.49Å; F139-L211 HydrophobicContact CD1-CB 4.48Å; F139-L211 HydrophobicContact CD1-CD1 4.08Å; F139-L211 HydrophobicContact CE1-CD1 3.98Å; F139-L211 WeakPolarHBondContact O-CA 3.29Å; F139-H212 PolarHBondContact O-N 3.44Å | ||
| 140 | T | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -111.9 | 175.2 | 177.9 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | L138 E142 C143 H212 T217 | L138-T140 HydrophobicContact CB-CG2 4.42Å; L138-T140 PolarHBondContact O-N 3.06Å; T140-E142 PolarHBondContact O-N 2.9Å; T140-E142 PolarHBondContact OG1-N 2.89Å; T140-C143 PolarHBondContact N-SG 2.84Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 WeakPolarHBondContact O-CB 3.38Å; T140-C143 PolarHBondContact O-N 2.75Å; T140-C143 VanDerWaalsContact O-N 3.09Å; T140-H212 HydrophobicContact CG2-CB 4.4Å; T140-T217 HydrophobicContact CG2-CG2 3.86Å |
| 141 | A | 98.3 | Very high | 98.2 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 24% | 0.24 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -62.3 | -24.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C143 K144 L161 | A141-C143 VanDerWaalsContact C-N 3.25Å; A141-C143 PolarHBondContact O-N 2.81Å; A141-K144 WeakPolarHBondContact O-CB 3.48Å; A141-K144 PolarHBondContact O-N 3.04Å; A141-L161 HydrophobicContact CB-CD1 3.78Å; A141-L161 HydrophobicContact CB-CD2 4.3Å; A141-L161 HydrophobicContact CB-CG 4.39Å |
| 142 | E | 98.7 | Very high | 98 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -72.6 | -16.6 | 175.3 | -65.5 | -167.3 | 153 | 0 | 0 | 113.3 | A126 M127 N128 Y134 T140 K144 L161 Y162 V214 | A126-E142 WeakPolarHBondContact CA-O 3.38Å; A126-E142 HydrophobicContact CB-CB 4.18Å; M127-E142 PolarHBondContact N-O 3.41Å; M127-E142 VanDerWaalsContact N-O 3.12Å; M127-E142 WeakPolarHBondContact O-CB 3.41Å; N128-E142 VanDerWaalsContact CA-OE1 3.32Å; N128-E142 WeakPolarHBondContact CA-OE1 3.34Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.94Å; T140-E142 PolarHBondContact O-N 2.9Å; T140-E142 PolarHBondContact OG1-N 2.89Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.02Å; E142-L161 HydrophobicContact CG-CD1 3.88Å; E142-Y162 HydrophobicContact CG-CE2 3.87Å; E142-Y162 WeakPolarHBondContact OE1-CE2 3.49Å; E142-Y162 PolarHBondContact OE1-OH 3.48Å; E142-V214 HydrophobicContact CG-CG1 4.27Å; E142-V214 HydrophobicContact CG-CG2 3.88Å |
| 143 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -81.3 | -4.4 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 113 | I125 F139 T140 A141 F145 | I125-C143 WeakPolarHBondContact O-CA 3.49Å; F139-C143 HydrophobicContact CD2-CB 3.59Å; F139-C143 HydrophobicContact CE2-CB 3.76Å; T140-C143 PolarHBondContact N-SG 2.84Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 WeakPolarHBondContact O-CB 3.38Å; T140-C143 PolarHBondContact O-N 2.75Å; T140-C143 VanDerWaalsContact O-N 3.09Å; A141-C143 VanDerWaalsContact C-N 3.25Å; A141-C143 PolarHBondContact O-N 2.81Å; C143-F145 WeakPolarHBondContact O-CD2 3.38Å |
| 144 | K | 98.8 | Very high | 97.8 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | trans | -91.8 | 115.9 | -175.4 | -64.9 | -176.6 | -179.1 | 179.6 | 0 | 110.9 | V109 V113 F139 A141 E142 M160 | V109-K144 HydrophobicContact CG2-CG 4.22Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.4Å; F139-K144 HydrophobicContact CE2-CG 4.1Å; F139-K144 HydrophobicContact CZ-CD 4.3Å; F139-K144 HydrophobicContact CZ-CG 3.78Å; A141-K144 WeakPolarHBondContact O-CB 3.48Å; A141-K144 PolarHBondContact O-N 3.04Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.02Å; K144-M160 HydrophobicContact CB-CB 4.07Å; K144-M160 HydrophobicContact CB-CG 3.93Å; K144-M160 WeakPolarHBondContact O-CB 3.48Å; K144-M160 WeakPolarHBondContact O-CG 3.44Å; K144-M160 PolarHBondContact O-N 2.87Å; K144-M160 VanDerWaalsContact O-N 3.16Å | ||
| 145 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.7 | 174.9 | -66.5 | -87.8 | 0 | 0 | 0 | 111.1 | V113 V114 I116 I125 M127 L133 C143 E147 Y157 S158 | V113-F145 CarbonylContact C-O 3.57Å; V113-F145 WeakPolarHBondContact CA-O 3.33Å; V114-F145 HydrophobicContact CG2-CB 4.38Å; V114-F145 PolarHBondContact N-O 2.89Å; V114-F145 PolarHBondContact O-N 3.43Å; I116-F145 HydrophobicContact CD1-CD2 4.25Å; I116-F145 HydrophobicContact CG1-CD2 4.46Å; I125-F145 HydrophobicContact CB-CE2 4.4Å; I125-F145 HydrophobicContact CG2-CE2 4.14Å; I125-F145 HydrophobicContact CG2-CZ 4.03Å; I125-F145 WeakPolarHBondContact O-CE2 3.37Å; M127-F145 HydrophobicContact CB-CE1 4.31Å; M127-F145 HydrophobicContact CB-CZ 4.27Å; M127-F145 HydrophobicContact CE-CE1 4.3Å; L133-F145 HydrophobicContact CD2-CZ 4.41Å; C143-F145 WeakPolarHBondContact O-CD2 3.38Å; F145-E147 PolarHBondContact O-N 2.84Å; F145-Y157 HydrophobicContact CB-CD1 4.45Å; F145-S158 CarbonylContact C-O 3.5Å; F145-S158 WeakPolarHBondContact CA-O 3.15Å |
| 146 | K | 98.8 | Very high | 97.8 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 118 | 166.7 | -176.9 | 174.9 | -179.4 | 172 | 0 | 108.9 | R112 Y157 S158 M160 | R112-K146 CarbonylContact O-C 3.58Å; R112-K146 WeakPolarHBondContact O-CA 2.99Å; K146-Y157 WeakPolarHBondContact O-CA 3.41Å; K146-S158 PolarHBondContact N-O 2.87Å; K146-S158 PolarHBondContact O-N 2.9Å; K146-M160 HydrophobicContact CB-CG 4.42Å; K146-M160 HydrophobicContact CB-SD 3.8Å |
| 147 | E | 98 | Very high | 97.9 | Very high | 44 Ų | 44 | 52 Ų | 52 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.1 | 168.8 | 54.2 | 162.6 | -144.2 | 0 | 0 | 110.2 | R112 V114 F145 V155 I156 Y157 | R112-E147 HydrophobicContact CB-CG 4.15Å; R112-E147 WeakPolarHBondContact CD-OE1 3.31Å; R112-E147 IonicContact NH1-OE1 3.41Å; R112-E147 PolarHBondContact NH1-OE1 3.35Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.38Å; R112-E147 PolarHBondContact O-N 3.47Å; V114-E147 HydrophobicContact CG1-CG 4.31Å; F145-E147 PolarHBondContact O-N 2.84Å; E147-V155 HydrophobicContact CB-CG1 4.14Å; E147-I156 WeakPolarHBondContact CA-O 3.19Å; E147-Y157 HydrophobicContact CB-CD1 4Å; E147-Y157 HydrophobicContact CB-CE1 3.85Å |
| 148 | S | 98.3 | Very high | 98 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.4 | 174.8 | -68.8 | 0 | 0 | 0 | 0 | 109.5 | V155 I156 | S148-V155 WeakPolarHBondContact O-CA 3.46Å; S148-I156 PolarHBondContact N-O 3.18Å; S148-I156 WeakPolarHBondContact O-CG1 3.41Å; S148-I156 PolarHBondContact O-N 2.99Å |
| 149 | V | 98.2 | Very high | 98 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 47% | 0.473 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 141.1 | 176 | -177 | 0 | 0 | 0 | 0 | 109.5 | N152 Y154 | V149-N152 VanDerWaalsContact CG1-CA 3.48Å; V149-Y154 CarbonylContact C-O 3.52Å; V149-Y154 WeakPolarHBondContact CA-O 3.41Å |
| 150 | F | 98.1 | Very high | 98 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.6 | 172.7 | -175.7 | -99.2 | 0 | 0 | 0 | 109.7 | N152 Y153 Y154 I156 K189 T190 H195 | F150-N152 PolarHBondContact O-N 2.91Å; F150-Y153 PolarHBondContact O-N 3.03Å; F150-Y153 VanDerWaalsContact O-N 3.07Å; F150-Y154 HydrophobicContact CD1-CD2 4.43Å; F150-Y154 PolarHBondContact N-O 3.36Å; F150-Y154 PolarHBondContact O-N 3.36Å; F150-I156 HydrophobicContact CB-CG2 4Å; F150-K189 HydrophobicContact CD2-CD 4.41Å; F150-K189 HydrophobicContact CD2-CG 3.86Å; F150-K189 HydrophobicContact CE2-CG 4.12Å; F150-T190 HydrophobicContact CE2-CG2 4.04Å; F150-T190 HydrophobicContact CZ-CG2 4.12Å; F150-H195 AromaticContact CD1-CE1 3.31Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.37Å; F150-H195 AromaticContact CD1-NE2 3.42Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.41Å; F150-H195 AromaticContact CE1-CE1 3.3Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.46Å; F150-H195 AromaticContact CE1-NE2 3.55Å |
| 151 | E | 95.3 | Very high | 98 | Very high | 138 Ų | 138 | 49.3 Ų | 49.3 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 31.4 | -177.9 | -69.6 | 175.1 | 174.9 | 0 | 0 | 114 | Y153 | E151-Y153 PolarHBondContact O-N 2.82Å; E151-Y153 VanDerWaalsContact O-N 3.08Å |
| 152 | N | 93.5 | Very high | 98 | Very high | 159 Ų | 159 | 50.7 Ų | 50.7 | 85% | 0.85 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19.1 | -177.5 | -62.5 | -23.3 | 0 | 0 | 0 | 115.3 | V149 F150 | V149-N152 VanDerWaalsContact CG1-CA 3.48Å; F150-N152 PolarHBondContact O-N 2.91Å |
| 153 | Y | 94.9 | Very high | 98 | Very high | 147 Ų | 147 | 54.5 Ų | 54.5 | 58% | 0.576 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.2 | -49.8 | -174.4 | -176.6 | -110.3 | 0 | 0 | 0 | 112.9 | F150 E151 L197 | F150-Y153 PolarHBondContact O-N 3.03Å; F150-Y153 VanDerWaalsContact O-N 3.07Å; E151-Y153 PolarHBondContact O-N 2.82Å; E151-Y153 VanDerWaalsContact O-N 3.08Å; Y153-L197 HydrophobicContact CD1-CD2 4.13Å; Y153-L197 HydrophobicContact CE1-CD1 4.01Å; Y153-L197 HydrophobicContact CE1-CD2 3.79Å; Y153-L197 HydrophobicContact CE1-CG 4.42Å; Y153-L197 HydrophobicContact CE2-CD2 4.39Å; Y153-L197 WeakPolarHBondContact O-CD2 3.5Å |
| 154 | Y | 98.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 57.6 Ų | 57.6 | 13% | 0.125 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 149.3 | -178.6 | -62 | -69.4 | 0 | 0 | 0 | 111.7 | R78 V149 F150 H195 L197 | R78-Y154 HydrophobicContact CB-CE1 4.02Å; R78-Y154 VanDerWaalsContact CD-CZ 3.45Å; R78-Y154 WeakPolarHBondContact CD-OH 3.3Å; R78-Y154 HydrophobicContact CG-CE1 4.05Å; R78-Y154 PolarHBondContact NE-OH 2.87Å; V149-Y154 CarbonylContact C-O 3.52Å; V149-Y154 WeakPolarHBondContact CA-O 3.41Å; F150-Y154 HydrophobicContact CD1-CD2 4.43Å; F150-Y154 PolarHBondContact N-O 3.36Å; F150-Y154 PolarHBondContact O-N 3.36Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.08Å; Y154-H195 AromaticContact CD2-CG 3.86Å; Y154-H195 AromaticContact CD2-ND1 3.26Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.26Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.5Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.58Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.83Å; Y154-H195 AromaticContact CG-ND1 3.73Å; Y154-L197 HydrophobicContact CD1-CD2 3.78Å; Y154-L197 HydrophobicContact CD1-CG 3.95Å; Y154-L197 HydrophobicContact CE1-CD1 4.25Å; Y154-L197 HydrophobicContact CE1-CD2 4.14Å; Y154-L197 HydrophobicContact CE1-CG 4.07Å |
| 155 | V | 98.8 | Very high | 97.7 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 16% | 0.158 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 137.1 | 166.3 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | E147 S148 Y157 F196 P198 | E147-V155 HydrophobicContact CB-CG1 4.14Å; S148-V155 WeakPolarHBondContact O-CA 3.46Å; V155-Y157 HydrophobicContact CB-CE2 4.47Å; V155-Y157 HydrophobicContact CG1-CE1 3.83Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; V155-F196 PolarHBondContact N-O 3.25Å; V155-F196 PolarHBondContact O-N 2.8Å; V155-P198 HydrophobicContact CB-CG 4.25Å; V155-P198 HydrophobicContact CG2-CG 3.9Å |
| 156 | I | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.1 | 174.3 | 69.1 | -175.4 | 0 | 0 | 0 | 108.9 | E147 S148 F150 F172 K189 A194 | E147-I156 WeakPolarHBondContact CA-O 3.19Å; S148-I156 PolarHBondContact N-O 3.18Å; S148-I156 WeakPolarHBondContact O-CG1 3.41Å; S148-I156 PolarHBondContact O-N 2.99Å; F150-I156 HydrophobicContact CB-CG2 4Å; I156-F172 HydrophobicContact CB-CD1 4.25Å; I156-F172 HydrophobicContact CB-CE1 4.39Å; I156-F172 HydrophobicContact CD1-CD1 4.32Å; I156-F172 HydrophobicContact CD1-CE1 3.62Å; I156-F172 HydrophobicContact CD1-CZ 4.34Å; I156-F172 HydrophobicContact CG1-CD1 4.35Å; I156-F172 HydrophobicContact CG1-CE1 4.02Å; I156-K189 HydrophobicContact CD1-CB 4.41Å; I156-K189 HydrophobicContact CD1-CD 3.78Å; I156-K189 HydrophobicContact CD1-CG 3.61Å; I156-A194 HydrophobicContact CG2-CB 4.38Å; I156-A194 WeakPolarHBondContact CG2-O 3.34Å |
| 157 | Y | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.6 | -179.2 | -59 | -78 | 0 | 0 | 0 | 109.1 | L75 L106 V114 I116 F145 K146 E147 V155 F172 L173 F196 | L75-Y157 HydrophobicContact CD1-CE2 4.3Å; L75-Y157 HydrophobicContact CD2-CE2 4.15Å; L106-Y157 HydrophobicContact CD2-CE1 4.37Å; V114-Y157 HydrophobicContact CG2-CD1 3.88Å; V114-Y157 HydrophobicContact CG2-CE1 3.85Å; I116-Y157 HydrophobicContact CD1-CD1 4.17Å; I116-Y157 HydrophobicContact CD1-CD2 4.5Å; I116-Y157 HydrophobicContact CD1-CG 4.17Å; F145-Y157 HydrophobicContact CB-CD1 4.45Å; K146-Y157 WeakPolarHBondContact O-CA 3.41Å; E147-Y157 HydrophobicContact CB-CD1 4Å; E147-Y157 HydrophobicContact CB-CE1 3.85Å; V155-Y157 HydrophobicContact CB-CE2 4.47Å; V155-Y157 HydrophobicContact CG1-CE1 3.83Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; Y157-F172 VanDerWaalsContact O-CA 3.31Å; Y157-F172 WeakPolarHBondContact O-CA 3.29Å; Y157-L173 HydrophobicContact CD2-CD2 4.19Å; Y157-L173 PolarHBondContact O-N 3.03Å; Y157-F196 HydrophobicContact CD2-CD2 4.22Å; Y157-F196 HydrophobicContact CE2-CB 4.09Å; Y157-F196 HydrophobicContact CE2-CD2 4.5Å; Y157-F196 HydrophobicContact CE2-CG 4.41Å |
| 158 | S | 98.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 146.7 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | F145 K146 M160 W171 | F145-S158 CarbonylContact C-O 3.5Å; F145-S158 WeakPolarHBondContact CA-O 3.15Å; K146-S158 PolarHBondContact N-O 2.87Å; K146-S158 PolarHBondContact O-N 2.9Å; S158-M160 PolarHBondContact O-N 3.42Å; S158-W171 CarbonylContact C-O 3.6Å; S158-W171 WeakPolarHBondContact CA-O 3.32Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.32Å |
| 159 | S | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.007 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 135.9 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | L161 Y162 R163 W171 | S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 3.21Å; S159-Y162 PolarHBondContact OG-N 2.66Å; S159-R163 PolarHBondContact O-NH2 2.88Å; S159-W171 PolarHBondContact N-O 3.17Å |
| 160 | M | 98.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -29.4 | 170.6 | -84.2 | -66 | -61.3 | 0 | 0 | 112.3 | V113 K144 K146 S158 | V113-M160 HydrophobicContact CG1-CG 3.91Å; V113-M160 HydrophobicContact CG1-SD 4.46Å; V113-M160 HydrophobicContact CG2-CE 4.31Å; V113-M160 HydrophobicContact CG2-CG 4.32Å; V113-M160 HydrophobicContact CG2-SD 3.78Å; K144-M160 HydrophobicContact CB-CB 4.07Å; K144-M160 HydrophobicContact CB-CG 3.93Å; K144-M160 WeakPolarHBondContact O-CB 3.48Å; K144-M160 WeakPolarHBondContact O-CG 3.44Å; K144-M160 PolarHBondContact O-N 2.87Å; K144-M160 VanDerWaalsContact O-N 3.16Å; K146-M160 HydrophobicContact CB-CG 4.42Å; K146-M160 HydrophobicContact CB-SD 3.8Å; S158-M160 PolarHBondContact O-N 3.42Å |
| 161 | L | 97.8 | Very high | 97.5 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -43.8 | -174.1 | -63.2 | 180 | 0 | 0 | 0 | 112.9 | A141 E142 S159 | A141-L161 HydrophobicContact CB-CD1 3.78Å; A141-L161 HydrophobicContact CB-CD2 4.3Å; A141-L161 HydrophobicContact CB-CG 4.39Å; E142-L161 HydrophobicContact CG-CD1 3.88Å; S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 3.21Å |
| 162 | Y | 98.5 | Very high | 97.6 | Very high | 57 Ų | 57 | 65.3 Ų | 65.3 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.1 | -163.5 | -53.9 | -57.1 | 0 | 0 | 0 | 113.4 | M127 N128 G129 E142 S159 W171 | M127-Y162 WeakPolarHBondContact O-CD2 3.24Å; M127-Y162 WeakPolarHBondContact O-CE2 2.68Å; N128-Y162 VanDerWaalsContact C-CD2 3.49Å; N128-Y162 VanDerWaalsContact O-CD2 3.25Å; N128-Y162 WeakPolarHBondContact O-CD2 3.45Å; G129-Y162 VanDerWaalsContact N-CE2 3.31Å; E142-Y162 HydrophobicContact CG-CE2 3.87Å; E142-Y162 WeakPolarHBondContact OE1-CE2 3.49Å; E142-Y162 PolarHBondContact OE1-OH 3.48Å; S159-Y162 PolarHBondContact OG-N 2.66Å; Y162-W171 VanDerWaalsContact CB-CE3 3.48Å; Y162-W171 HydrophobicContact CG-CE3 4.46Å; Y162-W171 HydrophobicContact CG-CZ3 4.33Å |
| 163 | R | 98.4 | Very high | 97.9 | Very high | 90 Ų | 90 | 57.8 Ų | 57.8 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 162.3 | -178.3 | -54.8 | -174.1 | 173.5 | -94.2 | -21.5 | 108.7 | S159 Q165 R169 | S159-R163 PolarHBondContact O-NH2 2.88Å; R163-Q165 PolarHBondContact O-N 2.77Å; R163-R169 CarbonylContact C-O 3.59Å; R163-R169 WeakPolarHBondContact CA-O 3.47Å |
| 164 | Q | 97.9 | Very high | 98.1 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | trans | -64.1 | 124.8 | 169.5 | -164.7 | 72 | 43.2 | 0 | 0 | 109.2 | E166 S167 G168 R169 | Q164-E166 PolarHBondContact O-N 3.45Å; Q164-S167 WeakPolarHBondContact CB-OG 3.5Å; Q164-S167 WeakPolarHBondContact CG-OG 3.31Å; Q164-G168 VanDerWaalsContact O-CA 3.26Å; Q164-G168 WeakPolarHBondContact O-CA 3.47Å; Q164-G168 PolarHBondContact O-N 2.85Å; Q164-R169 HydrophobicContact CB-CB 4.09Å; Q164-R169 PolarHBondContact N-O 2.49Å | ||
| 165 | Q | 94.5 | Very high | 98.1 | Very high | 180 Ų | 180 | 49.2 Ų | 49.2 | 84% | 0.841 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -47.5 | -173.6 | -64.9 | -62.2 | -16 | 0 | 0 | 112.8 | R163 | R163-Q165 PolarHBondContact O-N 2.77Š|
| 166 | E | 95.3 | Very high | 98.1 | Very high | 189 Ų | 189 | 49.4 Ų | 49.4 | 88% | 0.883 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -48.5 | -175.5 | -63.9 | 171.8 | -179.5 | 0 | 0 | 113.1 | Q164 | Q164-E166 PolarHBondContact O-N 3.45Š|
| 167 | S | 97.1 | Very high | 98.1 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 56% | 0.559 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.1 | -173.7 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | Q164 R169 | Q164-S167 WeakPolarHBondContact CB-OG 3.5Å; Q164-S167 WeakPolarHBondContact CG-OG 3.31Å; S167-R169 PolarHBondContact O-N 2.89Å; S167-R169 VanDerWaalsContact O-N 3.1Å; S167-R169 WeakPolarHBondContact OG-CB 3.47Å; S167-R169 PolarHBondContact OG-N 2.84Å |
| 168 | G | 97.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | trans | 65.9 | 5.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q164 A170 | Q164-G168 VanDerWaalsContact O-CA 3.26Å; Q164-G168 WeakPolarHBondContact O-CA 3.47Å; Q164-G168 PolarHBondContact O-N 2.85Å; G168-A170 PolarHBondContact O-N 3.14Å | ||
| 169 | R | 98.1 | Very high | 98 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 124.2 | -177.4 | -178.8 | 175.2 | 61 | 84 | -2 | 110.5 | R163 Q164 S167 N185 | R163-R169 CarbonylContact C-O 3.59Å; R163-R169 WeakPolarHBondContact CA-O 3.47Å; Q164-R169 HydrophobicContact CB-CB 4.09Å; Q164-R169 PolarHBondContact N-O 2.49Å; S167-R169 PolarHBondContact O-N 2.89Å; S167-R169 VanDerWaalsContact O-N 3.1Å; S167-R169 WeakPolarHBondContact OG-CB 3.47Å; S167-R169 PolarHBondContact OG-N 2.84Å; R169-N185 PolarHBondContact NH1-O 3.42Å; R169-N185 PolarHBondContact NH2-O 3.4Å; R169-N185 VanDerWaalsContact NH2-O 3.07Å |
| 170 | A | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 67.8 Ų | 67.8 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 154.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | G168 F172 | G168-A170 PolarHBondContact O-N 3.14Å; A170-F172 HydrophobicContact CB-CE1 4.26Å; A170-F172 HydrophobicContact CB-CE2 3.77Å; A170-F172 HydrophobicContact CB-CZ 3.61Å; A170-F172 WeakPolarHBondContact O-CD2 3.29Å; A170-F172 WeakPolarHBondContact O-CE2 3.43Å |
| 171 | W | 98.8 | Very high | 98 | Very high | 25 Ų | 25 | 65.8 Ų | 65.8 | 10% | 0.095 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.1 | 169.4 | -64.4 | 0.2 | 0 | 0 | 0 | 109.6 | M127 G129 E130 G131 S158 S159 Y162 G184 N185 | M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.2Å; G129-W171 WeakPolarHBondContact O-CH2 3.48Å; G129-W171 WeakPolarHBondContact O-CZ3 3.44Å; E130-W171 VanDerWaalsContact C-CZ3 3.46Å; G131-W171 VanDerWaalsContact CA-CE3 3.46Å; S158-W171 CarbonylContact C-O 3.6Å; S158-W171 WeakPolarHBondContact CA-O 3.32Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.32Å; S159-W171 PolarHBondContact N-O 3.17Å; Y162-W171 VanDerWaalsContact CB-CE3 3.48Å; Y162-W171 HydrophobicContact CG-CE3 4.46Å; Y162-W171 HydrophobicContact CG-CZ3 4.33Å; W171-G184 WeakPolarHBondContact CA-O 3.34Å; W171-N185 HydrophobicContact CD2-CB 3.81Å; W171-N185 VanDerWaalsContact CE2-CB 3.43Å; W171-N185 HydrophobicContact CG-CB 4.04Å; W171-N185 HydrophobicContact CZ2-CB 3.84Å |
| 172 | F | 98.9 | Very high | 98.1 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 5% | 0.053 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.8 | -167.7 | -62.1 | -89.5 | 0 | 0 | 0 | 112.2 | I156 Y157 A170 G184 V187 K189 A194 | I156-F172 HydrophobicContact CB-CD1 4.25Å; I156-F172 HydrophobicContact CB-CE1 4.39Å; I156-F172 HydrophobicContact CD1-CD1 4.32Å; I156-F172 HydrophobicContact CD1-CE1 3.62Å; I156-F172 HydrophobicContact CD1-CZ 4.34Å; I156-F172 HydrophobicContact CG1-CD1 4.35Å; I156-F172 HydrophobicContact CG1-CE1 4.02Å; Y157-F172 VanDerWaalsContact O-CA 3.31Å; Y157-F172 WeakPolarHBondContact O-CA 3.29Å; A170-F172 HydrophobicContact CB-CE1 4.26Å; A170-F172 HydrophobicContact CB-CE2 3.77Å; A170-F172 HydrophobicContact CB-CZ 3.61Å; A170-F172 WeakPolarHBondContact O-CD2 3.29Å; A170-F172 WeakPolarHBondContact O-CE2 3.43Å; F172-G184 PolarHBondContact N-O 3.01Å; F172-G184 VanDerWaalsContact N-O 3.12Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.5Å; F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.65Å; F172-V187 WeakPolarHBondContact O-CB 3.47Å; F172-K189 HydrophobicContact CE1-CB 4.37Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.68Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.39Å; F172-A194 HydrophobicContact CB-CB 4.35Å |
| 173 | L | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | trans | -59.3 | 138.2 | 158.9 | 173.1 | 61.4 | 0 | 0 | 0 | 108.6 | L83 I116 L133 Y157 F196 | L83-L173 HydrophobicContact CD2-CD2 4.22Å; I116-L173 HydrophobicContact CD1-CD2 4.08Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.15Å; L133-L173 HydrophobicContact CG-CD1 4.44Å; Y157-L173 HydrophobicContact CD2-CD2 4.19Å; Y157-L173 PolarHBondContact O-N 3.03Å; L173-F196 HydrophobicContact CD2-CE2 4.43Å; L173-F196 HydrophobicContact CD2-CZ 4.37Å; L173-F196 HydrophobicContact CG-CE2 4.05Å; L173-F196 HydrophobicContact CG-CZ 3.99Å | ||
| 174 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -173.3 | 158.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M182 A193 | G174-M182 PolarHBondContact O-N 2.88Å; G174-A193 CarbonylContact C-O 3.6Å; G174-A193 WeakPolarHBondContact CA-O 3.5Å | ||
| 175 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 148.7 | 175.5 | -57.6 | -178.2 | 0 | 0 | 0 | 110.2 | C77 L83 Q180 A181 A193 F196 | C77-L175 HydrophobicContact CB-CD1 3.96Å; C77-L175 HydrophobicContact CB-CG 4.43Å; L83-L175 HydrophobicContact CD1-CD1 4.47Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L175-Q180 CarbonylContact C-O 3.49Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.36Å; L175-A181 HydrophobicContact CD2-CB 4.3Å; L175-A193 PolarHBondContact N-O 3.28Å; L175-A193 VanDerWaalsContact O-CA 3.25Å; L175-A193 WeakPolarHBondContact O-CA 3.42Å; L175-A193 WeakPolarHBondContact O-CB 3.46Å; L175-F196 HydrophobicContact CG-CZ 4.49Å |
| 176 | N | 98.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.16 | 29% | 0.291 | C | S | . | . | trans | -80.3 | -168 | 173.5 | 68.6 | 7.2 | 0 | 0 | 0 | 111.6 | Q79 E178 G179 Q180 M182 | Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.37Å; Q79-N176 PolarHBondContact NE2-O 2.78Å; Q79-N176 VanDerWaalsContact NE2-O 3.08Å; N176-E178 PolarHBondContact ND2-OE2 2.96Å; N176-E178 PolarHBondContact O-N 2.75Å; N176-E178 WeakPolarHBondContact OD1-CA 3.3Å; N176-E178 WeakPolarHBondContact OD1-CB 3.44Å; N176-E178 PolarHBondContact OD1-N 3.32Å; N176-E178 PolarHBondContact OD1-OE2 3.25Å; N176-G179 PolarHBondContact OD1-N 2.83Å; N176-Q180 PolarHBondContact N-O 2.75Å; N176-Q180 PolarHBondContact ND2-OE1 2.85Å; N176-Q180 PolarHBondContact OD1-N 2.75Å; N176-Q180 PolarHBondContact OD1-O 2.79Å; N176-M182 HydrophobicContact CB-CG 3.84Å; N176-M182 HydrophobicContact CB-SD 3.74Å | ||
| 177 | K | 98.4 | Very high | 98.4 | Very high | 160 Ų | 160 | 49.9 Ų | 49.9 | 70% | 0.696 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.1 | -179.3 | -73.1 | -179.7 | 178.3 | -176.9 | 0 | 112 | Q79 Y81 G179 | Q79-K177 VanDerWaalsContact NE2-N 3.14Å; Y81-K177 WeakPolarHBondContact CE2-O 3.42Å; K177-G179 VanDerWaalsContact C-N 3.35Å |
| 178 | E | 98.4 | Very high | 98.5 | Very high | 118 Ų | 118 | 51 Ų | 51 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.2 | -178.5 | -57.8 | 67.8 | -146.6 | 0 | 0 | 111.7 | N176 Q180 | N176-E178 PolarHBondContact ND2-OE2 2.96Å; N176-E178 PolarHBondContact O-N 2.75Å; N176-E178 WeakPolarHBondContact OD1-CA 3.3Å; N176-E178 WeakPolarHBondContact OD1-CB 3.44Å; N176-E178 PolarHBondContact OD1-N 3.32Å; N176-E178 PolarHBondContact OD1-OE2 3.25Å; E178-Q180 HydrophobicContact CB-CG 4.4Å |
| 179 | G | 98.3 | Very high | 98.6 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 84.8 | 3.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D92 G93 N176 K177 | D92-G179 CarbonylContact C-O 3.47Å; G93-G179 VanDerWaalsContact CA-O 3.27Å; G93-G179 WeakPolarHBondContact CA-O 3.31Å; G93-G179 PolarHBondContact N-O 2.69Å; N176-G179 PolarHBondContact OD1-N 2.83Å; K177-G179 VanDerWaalsContact C-N 3.35Å |
| 180 | Q | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | trans | -83.8 | 143.8 | -177.4 | -54.6 | 170 | -35.9 | 0 | 0 | 111.9 | L175 N176 E178 M182 | L175-Q180 CarbonylContact C-O 3.49Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.36Å; N176-Q180 PolarHBondContact N-O 2.75Å; N176-Q180 PolarHBondContact ND2-OE1 2.85Å; N176-Q180 PolarHBondContact OD1-N 2.75Å; N176-Q180 PolarHBondContact OD1-O 2.79Å; E178-Q180 HydrophobicContact CB-CG 4.4Å; Q180-M182 PolarHBondContact O-N 2.76Å | ||
| 181 | A | 98.4 | Very high | 98.6 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -61.7 | 135 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L91 L133 L175 | L91-A181 HydrophobicContact CB-CB 4.33Å; L91-A181 VanDerWaalsContact O-CB 3.25Å; L91-A181 WeakPolarHBondContact O-CB 3.25Å; L133-A181 HydrophobicContact CD1-CB 4.28Å; L175-A181 HydrophobicContact CD2-CB 4.3Å |
| 182 | M | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | trans | -105.1 | 148.6 | -178.2 | -65.9 | -176.1 | 71 | 0 | 0 | 112.1 | G174 N176 Q180 G184 R186 V187 A193 | G174-M182 PolarHBondContact O-N 2.88Å; N176-M182 HydrophobicContact CB-CG 3.84Å; N176-M182 HydrophobicContact CB-SD 3.74Å; Q180-M182 PolarHBondContact O-N 2.76Å; M182-G184 PolarHBondContact O-N 2.7Å; M182-R186 HydrophobicContact CE-CB 4.22Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.23Å; M182-A193 HydrophobicContact SD-CB 3.89Å | ||
| 183 | K | 98.6 | Very high | 98.6 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | trans | -59.6 | 128.9 | 167.9 | -160.4 | 174.8 | -179.4 | 151.7 | 0 | 110.3 | E130 G131 H132 N185 R186 V187 | E130-K183 WeakPolarHBondContact O-CE 3.27Å; E130-K183 PolarHBondContact O-NZ 3.04Å; G131-K183 CarbonylContact O-C 3.55Å; G131-K183 WeakPolarHBondContact O-CA 3.37Å; G131-K183 WeakPolarHBondContact O-CG 3.44Å; H132-K183 PolarHBondContact CE1-NZ 2.92Å; H132-K183 PolarHBondContact NE2-NZ 3.08Å; H132-K183 VanDerWaalsContact NE2-NZ 3.19Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 WeakPolarHBondContact CD-OD1 3.44Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.24Å; K183-N185 PolarHBondContact O-N 3.06Å; K183-N185 VanDerWaalsContact O-N 3.14Å; K183-R186 HydrophobicContact CB-CG 4.31Å; K183-R186 WeakPolarHBondContact O-CA 3.25Å; K183-R186 WeakPolarHBondContact O-CB 3.45Å; K183-R186 PolarHBondContact O-N 3.12Å; K183-V187 PolarHBondContact O-N 2.98Å | ||
| 184 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G131 W171 F172 M182 R186 V187 | G131-G184 PolarHBondContact O-N 2.71Å; W171-G184 WeakPolarHBondContact CA-O 3.34Å; F172-G184 PolarHBondContact N-O 3.01Å; F172-G184 VanDerWaalsContact N-O 3.12Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.5Å; M182-G184 PolarHBondContact O-N 2.7Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.72Å; G184-V187 PolarHBondContact O-N 3.44Å |
| 185 | N | 98.4 | Very high | 98.6 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.4 | 175.5 | 69.7 | -22.4 | 0 | 0 | 0 | 113.7 | R169 W171 K183 | R169-N185 PolarHBondContact NH1-O 3.42Å; R169-N185 PolarHBondContact NH2-O 3.4Å; R169-N185 VanDerWaalsContact NH2-O 3.07Å; W171-N185 HydrophobicContact CD2-CB 3.81Å; W171-N185 VanDerWaalsContact CE2-CB 3.43Å; W171-N185 HydrophobicContact CG-CB 4.04Å; W171-N185 HydrophobicContact CZ2-CB 3.84Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 WeakPolarHBondContact CD-OD1 3.44Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.24Å; K183-N185 PolarHBondContact O-N 3.06Å; K183-N185 VanDerWaalsContact O-N 3.14Å |
| 186 | R | 98.5 | Very high | 98.6 | Very high | 180 Ų | 180 | 59.7 Ų | 59.7 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22.8 | 175.9 | -61.2 | -178.6 | 177.3 | 179.7 | -1.7 | 112.5 | M182 K183 G184 | M182-R186 HydrophobicContact CE-CB 4.22Å; K183-R186 HydrophobicContact CB-CG 4.31Å; K183-R186 WeakPolarHBondContact O-CA 3.25Å; K183-R186 WeakPolarHBondContact O-CB 3.45Å; K183-R186 PolarHBondContact O-N 3.12Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.72Å |
| 187 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -78.1 | 129.6 | 176.1 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | F172 M182 K183 G184 A193 A194 | F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.65Å; F172-V187 WeakPolarHBondContact O-CB 3.47Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.23Å; K183-V187 PolarHBondContact O-N 2.98Å; G184-V187 PolarHBondContact O-N 3.44Å; V187-A193 HydrophobicContact CG1-CB 4.36Å; V187-A194 HydrophobicContact CG1-CB 3.53Å | ||
| 188 | K | 98.4 | Very high | 98.5 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 45% | 0.452 | 27% | 0.266 | S | S | . | . | trans | -114.5 | 139 | -178 | -65.2 | -178.3 | -178.9 | -178.3 | 0 | 110.1 | T190 K191 A194 | K188-T190 PolarHBondContact O-N 2.96Å; K188-T190 VanDerWaalsContact O-N 3.1Å; K188-K191 HydrophobicContact CB-CB 4.19Å; K188-K191 HydrophobicContact CB-CG 3.75Å; K188-K191 HydrophobicContact CD-CG 4.34Å; K188-K191 PolarHBondContact O-N 2.77Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å | ||
| 189 | K | 98.4 | Very high | 98.5 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -39.8 | 178.8 | 174.9 | 166.2 | 179.3 | -178.7 | 0 | 114.3 | F150 I156 F172 K191 H195 | F150-K189 HydrophobicContact CD2-CD 4.41Å; F150-K189 HydrophobicContact CD2-CG 3.86Å; F150-K189 HydrophobicContact CE2-CG 4.12Å; I156-K189 HydrophobicContact CD1-CB 4.41Å; I156-K189 HydrophobicContact CD1-CD 3.78Å; I156-K189 HydrophobicContact CD1-CG 3.61Å; F172-K189 HydrophobicContact CE1-CB 4.37Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.68Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.39Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K189-H195 PolarHBondContact O-NE2 3.01Å |
| 190 | T | 98.2 | Very high | 98.4 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 57% | 0.571 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.2 | -175.7 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | F150 K188 | F150-T190 HydrophobicContact CE2-CG2 4.04Å; F150-T190 HydrophobicContact CZ-CG2 4.12Å; K188-T190 PolarHBondContact O-N 2.96Å; K188-T190 VanDerWaalsContact O-N 3.1Å |
| 191 | K | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 55.5 Ų | 55.5 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -102.6 | 139.9 | -176.9 | -66.1 | -62.7 | -176.4 | -176.1 | 0 | 110 | K188 K189 A193 A194 H195 | K188-K191 HydrophobicContact CB-CB 4.19Å; K188-K191 HydrophobicContact CB-CG 3.75Å; K188-K191 HydrophobicContact CD-CG 4.34Å; K188-K191 PolarHBondContact O-N 2.77Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K191-A193 PolarHBondContact O-N 3.18Å; K191-A194 PolarHBondContact O-N 2.8Å; K191-H195 PolarHBondContact O-CD2 2.92Å; K191-H195 PolarHBondContact O-NE2 3.18Å |
| 192 | P | 98.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -48.6 | -32.3 | 179 | -34.4 | 39.4 | 0 | 0 | 0 | 115.7 | R78 A194 H195 | R78-P192 HydrophobicContact CB-CB 4.42Å; R78-P192 HydrophobicContact CG-CB 4.17Å; P192-A194 PolarHBondContact O-N 2.87Å; P192-A194 VanDerWaalsContact O-N 3.12Å; P192-H195 WeakPolarHBondContact O-CB 3.31Å; P192-H195 PolarHBondContact O-N 3.28Å |
| 193 | A | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -51.5 | -32.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G174 L175 M182 V187 K191 | G174-A193 CarbonylContact C-O 3.6Å; G174-A193 WeakPolarHBondContact CA-O 3.5Å; L175-A193 PolarHBondContact N-O 3.28Å; L175-A193 VanDerWaalsContact O-CA 3.25Å; L175-A193 WeakPolarHBondContact O-CA 3.42Å; L175-A193 WeakPolarHBondContact O-CB 3.46Å; M182-A193 HydrophobicContact SD-CB 3.89Å; V187-A193 HydrophobicContact CG1-CB 4.36Å; K191-A193 PolarHBondContact O-N 3.18Å |
| 194 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -87.2 | -9.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I156 F172 V187 K188 K191 P192 F196 | I156-A194 HydrophobicContact CG2-CB 4.38Å; I156-A194 WeakPolarHBondContact CG2-O 3.34Å; F172-A194 HydrophobicContact CB-CB 4.35Å; V187-A194 HydrophobicContact CG1-CB 3.53Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å; K191-A194 PolarHBondContact O-N 2.8Å; P192-A194 PolarHBondContact O-N 2.87Å; P192-A194 VanDerWaalsContact O-N 3.12Å; A194-F196 WeakPolarHBondContact O-CD2 3.2Å |
| 195 | H | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -95.1 | 117.5 | -165.2 | -65.2 | -170 | 0 | 0 | 0 | 110.3 | C77 R78 F150 Y154 K189 K191 P192 | C77-H195 CarbonylContact C-O 3.54Å; C77-H195 WeakPolarHBondContact CA-O 3.32Å; R78-H195 HydrophobicContact CB-CB 3.79Å; R78-H195 PolarHBondContact N-O 3.34Å; R78-H195 PolarHBondContact NH1-ND1 2.87Å; F150-H195 AromaticContact CD1-CE1 3.31Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.37Å; F150-H195 AromaticContact CD1-NE2 3.42Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.41Å; F150-H195 AromaticContact CE1-CE1 3.3Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.46Å; F150-H195 AromaticContact CE1-NE2 3.55Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.08Å; Y154-H195 AromaticContact CD2-CG 3.86Å; Y154-H195 AromaticContact CD2-ND1 3.26Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.26Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.5Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.58Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.83Å; Y154-H195 AromaticContact CG-ND1 3.73Å; K189-H195 PolarHBondContact O-NE2 3.01Å; K191-H195 PolarHBondContact O-CD2 2.92Å; K191-H195 PolarHBondContact O-NE2 3.18Å; P192-H195 WeakPolarHBondContact O-CB 3.31Å; P192-H195 PolarHBondContact O-N 3.28Å | ||
| 196 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149 | 177 | -66 | -94.6 | 0 | 0 | 0 | 111.2 | L75 Y76 C77 L83 V155 Y157 L173 L175 A194 | L75-F196 HydrophobicContact CB-CD1 4.05Å; Y76-F196 CarbonylContact O-C 3.56Å; Y76-F196 WeakPolarHBondContact O-CA 3.48Å; C77-F196 HydrophobicContact CB-CD1 3.9Å; C77-F196 HydrophobicContact CB-CE1 3.63Å; C77-F196 HydrophobicContact CB-CZ 4.25Å; L83-F196 HydrophobicContact CB-CE1 4.46Å; V155-F196 PolarHBondContact N-O 3.25Å; V155-F196 PolarHBondContact O-N 2.8Å; Y157-F196 HydrophobicContact CD2-CD2 4.22Å; Y157-F196 HydrophobicContact CE2-CB 4.09Å; Y157-F196 HydrophobicContact CE2-CD2 4.5Å; Y157-F196 HydrophobicContact CE2-CG 4.41Å; L173-F196 HydrophobicContact CD2-CE2 4.43Å; L173-F196 HydrophobicContact CD2-CZ 4.37Å; L173-F196 HydrophobicContact CG-CE2 4.05Å; L173-F196 HydrophobicContact CG-CZ 3.99Å; L175-F196 HydrophobicContact CG-CZ 4.49Å; A194-F196 WeakPolarHBondContact O-CD2 3.2Å |
| 197 | L | 98.5 | Very high | 97.6 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 106.7 | 168.4 | -66.9 | 174.7 | 0 | 0 | 0 | 107.6 | Y76 Y153 Y154 K199 | Y76-L197 PolarHBondContact N-O 3.47Å; Y76-L197 PolarHBondContact O-N 3.33Å; Y153-L197 HydrophobicContact CD1-CD2 4.13Å; Y153-L197 HydrophobicContact CE1-CD1 4.01Å; Y153-L197 HydrophobicContact CE1-CD2 3.79Å; Y153-L197 HydrophobicContact CE1-CG 4.42Å; Y153-L197 HydrophobicContact CE2-CD2 4.39Å; Y153-L197 WeakPolarHBondContact O-CD2 3.5Å; Y154-L197 HydrophobicContact CD1-CD2 3.78Å; Y154-L197 HydrophobicContact CD1-CG 3.95Å; Y154-L197 HydrophobicContact CE1-CD1 4.25Å; Y154-L197 HydrophobicContact CE1-CD2 4.14Å; Y154-L197 HydrophobicContact CE1-CG 4.07Å; L197-K199 PolarHBondContact O-N 3.25Å |
| 198 | P | 97.9 | Very high | 97.3 | Very high | 41 Ų | 41 | 69.2 Ų | 69.2 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.5 | 168.2 | -20.8 | 33.5 | 0 | 0 | 0 | 109.4 | R74 L75 V155 P200 | R74-P198 WeakPolarHBondContact O-CA 3.48Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å; V155-P198 HydrophobicContact CB-CG 4.25Å; V155-P198 HydrophobicContact CG2-CG 3.9Å; P198-P200 WeakPolarHBondContact O-CD 3.18Å |
| 199 | K | 97.7 | Very high | 97.1 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 87.9 | 168.9 | -59.3 | -164.6 | -172.3 | 178.1 | 0 | 107.6 | T73 R74 Y82 L197 L201 | T73-K199 WeakPolarHBondContact CA-O 3.44Å; T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.38Å; R74-K199 HydrophobicContact CB-CB 4.41Å; R74-K199 PolarHBondContact N-O 3.38Å; R74-K199 PolarHBondContact O-N 3.11Å; Y82-K199 HydrophobicContact CE1-CD 3.97Å; Y82-K199 PolarHBondContact OH-NZ 3.32Å; L197-K199 PolarHBondContact O-N 3.25Å; K199-L201 WeakPolarHBondContact O-CD1 3.36Å |
| 200 | P | 97.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 141.1 | -178 | -20.7 | 33.5 | 0 | 0 | 0 | 111 | I71 P198 | I71-P200 HydrophobicContact CD1-CB 4.2Å; I71-P200 HydrophobicContact CD1-CG 4.1Å; P198-P200 WeakPolarHBondContact O-CD 3.18Å |
| 201 | L | 96.7 | Very high | 96.8 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -53.3 | 171.6 | -78.2 | 73.2 | 0 | 0 | 0 | 109.8 | V72 R74 L103 K199 | V72-L201 PolarHBondContact O-N 2.95Å; R74-L201 HydrophobicContact CG-CD1 4.23Å; L103-L201 HydrophobicContact CD2-CD1 4.09Å; L103-L201 HydrophobicContact CD2-CD2 3.62Å; K199-L201 WeakPolarHBondContact O-CD1 3.36Å |
| 202 | E | 96.2 | Very high | 96.7 | Very high | 123 Ų | 123 | 62.4 Ų | 62.4 | 58% | 0.575 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 163.3 | -177.7 | 62.4 | 177.3 | -172.2 | 0 | 0 | 112.2 | I71 V72 | I71-E202 CarbonylContact C-O 3.55Å; I71-E202 VanDerWaalsContact CA-O 3.31Å; I71-E202 WeakPolarHBondContact CA-O 3.34Å; I71-E202 WeakPolarHBondContact CB-O 3.48Å; V72-E202 HydrophobicContact CB-CG 3.89Å; V72-E202 HydrophobicContact CG2-CG 3.99Å; V72-E202 PolarHBondContact N-O 3.3Å; V72-E202 PolarHBondContact O-N 3Å |
| 203 | V | 97.5 | Very high | 96.4 | Very high | 88 Ų | 88 | 66.3 Ų | 66.3 | 53% | 0.533 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.7 | 172.9 | 174.2 | 0 | 0 | 0 | 0 | 108.3 | K69 I71 | K69-V203 HydrophobicContact CD-CG1 4.23Å; K69-V203 HydrophobicContact CG-CG1 3.78Å; I71-V203 HydrophobicContact CG2-CG2 4.27Å |
| 204 | A | 95.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G70 V72 Y206 | G70-A204 PolarHBondContact N-O 2.6Å; G70-A204 PolarHBondContact O-N 3.18Å; V72-A204 HydrophobicContact CG2-CB 4.34Å; A204-Y206 HydrophobicContact CB-CD2 4.48Å; A204-Y206 HydrophobicContact CB-CE1 4.37Å; A204-Y206 HydrophobicContact CB-CE2 3.65Å; A204-Y206 WeakPolarHBondContact O-CD2 3.06Å; A204-Y206 WeakPolarHBondContact O-CE2 3.35Å |
| 205 | M | 96 | Very high | 94.5 | Very high | 105 Ų | 105 | 71.5 Ų | 71.5 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.9 | 174.5 | -59.8 | -57.5 | -62.9 | 0 | 0 | 108.9 | Q67 L68 K69 | Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.45Å; Q67-M205 VanDerWaalsContact CB-CE 3.45Å; L68-M205 WeakPolarHBondContact O-CA 3.36Å; K69-M205 HydrophobicContact CB-CE 4.33Å; K69-M205 HydrophobicContact CB-SD 3.96Å; K69-M205 HydrophobicContact CG-SD 4.01Å |
| 206 | Y | 95.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 77 Ų | 77 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.7 | -179.5 | -59.3 | -83.9 | 0 | 0 | 0 | 109.8 | Q67 L68 I71 V72 N105 I107 A204 | Q67-Y206 CarbonylContact C-O 3.49Å; Q67-Y206 WeakPolarHBondContact CA-O 3.46Å; L68-Y206 PolarHBondContact N-O 2.97Å; L68-Y206 PolarHBondContact O-N 2.89Å; I71-Y206 PolarHBondContact O-OH 3.1Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å; N105-Y206 HydrophobicContact CB-CE1 3.68Å; N105-Y206 WeakPolarHBondContact CB-OH 3.48Å; N105-Y206 VanDerWaalsContact CG-CE1 3.42Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.25Å; N105-Y206 PolarHBondContact OD1-OH 2.85Å; I107-Y206 HydrophobicContact CD1-CD1 3.9Å; I107-Y206 HydrophobicContact CD1-CE1 4.37Å; I107-Y206 HydrophobicContact CD1-CG 4.1Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 4.02Å; I107-Y206 HydrophobicContact CG1-CE1 4.26Å; I107-Y206 HydrophobicContact CG1-CE2 4.27Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.29Å; A204-Y206 HydrophobicContact CB-CD2 4.48Å; A204-Y206 HydrophobicContact CB-CE1 4.37Å; A204-Y206 HydrophobicContact CB-CE2 3.65Å; A204-Y206 WeakPolarHBondContact O-CD2 3.06Å; A204-Y206 WeakPolarHBondContact O-CE2 3.35Å |
| 207 | R | 94.3 | Very high | 90.7 | Very high | 180 Ų | 180 | 79.3 Ų | 79.3 | 68% | 0.679 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144.4 | 163.3 | -171.1 | 176.6 | -176.7 | 169.9 | 5.1 | 108.9 | D65 P209 | D65-R207 IonicContact OD2-CZ 3.48Å; D65-R207 IonicContact OD2-NH2 3.91Å; R207-P209 VanDerWaalsContact O-CD 3.29Å; R207-P209 WeakPolarHBondContact O-CD 3.2Å |
| 208 | E | 92.9 | Very high | 88.3 | Confident | 107 Ų | 107 | 82.8 Ų | 82.8 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 121.7 | 170.3 | -173.8 | 168.4 | -168 | 0 | 0 | 110.8 | L68 | L68-E208 HydrophobicContact CD1-CB 4.02Å; L68-E208 HydrophobicContact CD1-CG 4.17Å; L68-E208 HydrophobicContact CG-CB 4.34Å |
| 209 | P | 94.7 | Very high | 85.8 | Confident | 18 Ų | 18 | 86.4 Ų | 86.4 | 12% | 0.117 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 134.9 | 178.7 | -21.7 | 33.9 | 0 | 0 | 0 | 111.6 | I107 V109 F139 R207 L211 | I107-P209 HydrophobicContact CG2-CG 4.47Å; V109-P209 HydrophobicContact CG1-CG 4.47Å; F139-P209 HydrophobicContact CB-CB 3.76Å; F139-P209 HydrophobicContact CD1-CB 3.58Å; F139-P209 HydrophobicContact CD2-CB 4.33Å; F139-P209 HydrophobicContact CE1-CB 4.21Å; F139-P209 HydrophobicContact CG-CB 3.63Å; F139-P209 HydrophobicContact CG-CG 4.49Å; R207-P209 VanDerWaalsContact O-CD 3.29Å; R207-P209 WeakPolarHBondContact O-CD 3.2Å; P209-L211 PolarHBondContact O-N 3.16Å |
| 210 | S | 94 | Very high | 83 | Confident | 87 Ų | 87 | 92 Ų | 92 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 124.1 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | H212 | S210-H212 PolarHBondContact O-CE1 2.78Å; S210-H212 PolarHBondContact O-ND1 3.11Å |
| 211 | L | 95.8 | Very high | 80.2 | Confident | 101 Ų | 101 | 91.6 Ų | 91.6 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 125.7 | 178.7 | -174.1 | 65.6 | 0 | 0 | 0 | 110.8 | F139 P209 | F139-L211 HydrophobicContact CD1-CB 4.48Å; F139-L211 HydrophobicContact CD1-CD1 4.08Å; F139-L211 HydrophobicContact CE1-CD1 3.98Å; F139-L211 WeakPolarHBondContact O-CA 3.29Å; P209-L211 PolarHBondContact O-N 3.16Å |
| 212 | H | 96.1 | Very high | 77.5 | Confident | 62 Ų | 62 | 92.4 Ų | 92.4 | 29% | 0.287 | 52% | 0.522 | S | S | . | . | B | Isolated β-bridge | trans | -113.9 | 159.9 | 176.7 | -62.3 | 75.4 | 0 | 0 | 0 | 111.3 | L138 F139 T140 S210 E216 | L138-H212 HydrophobicContact CB-CB 4.22Å; L138-H212 HydrophobicContact CD1-CB 4.31Å; F139-H212 PolarHBondContact O-N 3.44Å; T140-H212 HydrophobicContact CG2-CB 4.4Å; S210-H212 PolarHBondContact O-CE1 2.78Å; S210-H212 PolarHBondContact O-ND1 3.11Å; H212-E216 IonicContact CD2-OE2 3.84Å; H212-E216 PolarHBondContact CD2-OE2 2.7Å; H212-E216 IonicContact CG-OE2 3.94Å |
| 213 | D | 92.7 | Very high | 75 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | trans | -77 | 145.1 | 174.4 | -75.1 | -31.4 | 0 | 0 | 0 | 111 | G215 E216 | D213-G215 PolarHBondContact O-N 3.47Å; D213-G215 VanDerWaalsContact O-N 3.17Å; D213-E216 HydrophobicContact CB-CG 4.34Å; D213-E216 PolarHBondContact O-N 2.94Å; D213-E216 VanDerWaalsContact O-N 3.14Å | ||
| 214 | V | 83.8 | Confident | 72.4 | Confident | 54 Ų | 54 | 93.1 Ų | 93.1 | 33% | 0.327 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -62 | -27 | -176.1 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | E142 E216 T217 | E142-V214 HydrophobicContact CG-CG1 4.27Å; E142-V214 HydrophobicContact CG-CG2 3.88Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.17Å; V214-T217 PolarHBondContact O-OG1 2.92Å |
| 215 | G | 73.2 | Confident | 69.6 | Low | 66 Ų | 66 | 98.2 Ų | 98.2 | 68% | 0.68 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -74.8 | -13.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D213 T217 | D213-G215 PolarHBondContact O-N 3.47Å; D213-G215 VanDerWaalsContact O-N 3.17Å; G215-T217 VanDerWaalsContact C-N 3.3Å |
| 216 | E | 63.4 | Low | 66.9 | Low | 115 Ų | 115 | 98.3 Ų | 98.3 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -81.6 | -9.4 | -178.5 | -64 | -175.8 | 154 | 0 | 0 | 112.9 | L138 H212 D213 V214 V218 | L138-E216 HydrophobicContact CD1-CB 4.37Å; H212-E216 IonicContact CD2-OE2 3.84Å; H212-E216 PolarHBondContact CD2-OE2 2.7Å; H212-E216 IonicContact CG-OE2 3.94Å; D213-E216 HydrophobicContact CB-CG 4.34Å; D213-E216 PolarHBondContact O-N 2.94Å; D213-E216 VanDerWaalsContact O-N 3.14Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 3.17Å; E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 3.32Å |
| 217 | T | 55.8 | Low | 64.1 | Low | 50 Ų | 50 | 106.7 Ų | 106.7 | 31% | 0.307 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -84.1 | 3.9 | -176.1 | 63.3 | 0 | 0 | 0 | 0 | 114.2 | L138 T140 V214 G215 P219 | L138-T217 HydrophobicContact CB-CG2 4.4Å; L138-T217 HydrophobicContact CD1-CG2 4.45Å; T140-T217 HydrophobicContact CG2-CG2 3.86Å; V214-T217 PolarHBondContact O-OG1 2.92Å; G215-T217 VanDerWaalsContact C-N 3.3Å; T217-P219 WeakPolarHBondContact O-CD 3.07Å |
| 218 | V | 46.7 | Very low | 61.2 | Low | 109 Ų | 109 | 103.7 Ų | 103.7 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -89.4 | 115 | 175 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | E216 K220 | E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 3.32Å; V218-K220 PolarHBondContact O-N 2.94Å |
| 219 | P | 46.7 | Very low | 58.7 | Low | 116 Ų | 116 | 105 Ų | 105 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | trans | -57.7 | 115.7 | 167.3 | -17.1 | 29.6 | 0 | 0 | 0 | 107.7 | T217 A221 | T217-P219 WeakPolarHBondContact O-CD 3.07Å; P219-A221 VanDerWaalsContact C-N 3.32Å; P219-A221 PolarHBondContact O-N 2.86Å | ||
| 220 | K | 37.5 | Very low | 56 | Low | 203 Ų | 203 | 109.1 Ų | 109.1 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | trans | -62.2 | 99.8 | 170.4 | -163.8 | 175.7 | -173.5 | 176.4 | 0 | 106.3 | V218 A222 | V218-K220 PolarHBondContact O-N 2.94Å; K220-A222 PolarHBondContact O-N 3.1Å; K220-A222 VanDerWaalsContact O-N 3.1Å | ||
| 221 | A | 39.6 | Very low | 53.2 | Low | 80 Ų | 80 | 113.5 Ų | 113.5 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | trans | -50.4 | 122.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107 | P219 V223 | P219-A221 VanDerWaalsContact C-N 3.32Å; P219-A221 PolarHBondContact O-N 2.86Å; A221-V223 VanDerWaalsContact C-N 3.31Å; A221-V223 PolarHBondContact O-N 2.82Å | ||
| 222 | A | 40.1 | Very low | 50.9 | Low | 103 Ų | 103 | 113.6 Ų | 113.6 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | trans | -62.8 | 94.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | K220 | K220-A222 PolarHBondContact O-N 3.1Å; K220-A222 VanDerWaalsContact O-N 3.1Å | ||
| 223 | V | 42.8 | Very low | 48 | Very low | 124 Ų | 124 | 116.4 Ų | 116.4 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -77.5 | 120.3 | 164.8 | -177 | 0 | 0 | 0 | 0 | 106.1 | A221 | A221-V223 VanDerWaalsContact C-N 3.31Å; A221-V223 PolarHBondContact O-N 2.82Å | ||
| 224 | P | 42.9 | Very low | 45.7 | Very low | 103 Ų | 103 | 117.3 Ų | 117.3 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | trans | -64.6 | 144.6 | 173.6 | 27.2 | -31.6 | 0 | 0 | 0 | 109.3 | S226 | P224-S226 PolarHBondContact O-N 3.03Š| ||
| 225 | P | 37.2 | Very low | 43.5 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -70.2 | 107.7 | -173.9 | 27.6 | -32.1 | 0 | 0 | 0 | 110.2 | K227 | P225-K227 PolarHBondContact O-N 3.22Š| ||
| 226 | S | 38.5 | Very low | 42 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -67.1 | 109.6 | 160.7 | 38.4 | 0 | 0 | 0 | 0 | 108.3 | P224 S228 | P224-S226 PolarHBondContact O-N 3.03Å; S226-S228 PolarHBondContact O-N 3.15Å; S226-S228 VanDerWaalsContact O-N 3.15Å | ||
| 227 | K | 36.5 | Very low | 40.5 | Very low | 206 Ų | 206 | 125.7 Ų | 125.7 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | trans | -62.9 | 109.2 | 166.9 | -81.2 | 179.2 | 175.1 | 177.2 | 0 | 108.7 | P225 | P225-K227 PolarHBondContact O-N 3.22Š| ||
| 228 | S | 34.3 | Very low | 39.5 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -99.4 | 115.8 | 157 | 44.7 | 0 | 0 | 0 | 0 | 108.4 | S226 | S226-S228 PolarHBondContact O-N 3.15Å; S226-S228 VanDerWaalsContact O-N 3.15Å | ||
| 229 | T | 41 | Very low | 39.1 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | -109.7 | 130.5 | 163 | -56.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 230 | S | 36.6 | Very low | 39 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -66 | 134.5 | -175.8 | 47.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 231 | E | 37.2 | Very low | 39 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 37.2 | 164.5 | 131.5 | -68.3 | -157 | -175.5 | 0 | 0 | 122.7 | ||||
| 232 | P | 46.7 | Very low | 39.1 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | cis | -139.2 | 170.2 | 10.8 | 29.2 | -4.3 | 0 | 0 | 0 | 118.4 | ||||
| 233 | V | 35.2 | Very low | 39.2 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 18.1 | 117.3 | 140.8 | -172.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 234 | V | 44.1 | Very low | 39.6 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -133.2 | 111.3 | 149.9 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 235 | M | 38.1 | Very low | 39.4 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 135.3 | 164.2 | -73.8 | -105.4 | -141.7 | 0 | 0 | 108.8 | ||||
| 236 | N | 40.6 | Very low | 40.2 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -163.1 | 123.9 | 137.6 | -105.2 | -38.2 | 0 | 0 | 0 | 111.6 | ||||
| 237 | G | 33.6 | Very low | 40.7 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -77.4 | 152.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 238 | G | 33.9 | Very low | 40.9 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -167.8 | 91.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 239 | K | 38.5 | Very low | 41.7 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | trans | -88 | 147.1 | 155.7 | -115 | 178 | -178 | 175.4 | 0 | 106.8 | ||||
| 240 | P | 45 | Very low | 41.7 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | -139.5 | 165.7 | 100.8 | 30.4 | -12.8 | 0 | 0 | 0 | 114.3 | |||||
| 241 | V | 36.7 | Very low | 42 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 67% | 0.667 | 82% | 0.824 | S | S | * | * | trans | -84.3 | 143.5 | -174 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 242 | S | 40.8 | Very low | 42.2 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -152.3 | 122.1 | 138 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 243 | K | 43.2 | Very low | 42 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -82.6 | -168.3 | 166.5 | -65.5 | 176.9 | 171 | 175.1 | 0 | 108.9 | ||||
| 244 | P | 50.2 | Low | 42.4 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 66% | 0.662 | 84% | 0.839 | S | S | * | * | -119.5 | 178.8 | -70.3 | 34.5 | -18.1 | 0 | 0 | 0 | 109.2 | |||||
| 245 | D | 39.9 | Very low | 42.3 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | -169.1 | 134.7 | 128.7 | -89.5 | -24.1 | 0 | 0 | 0 | 110.5 | |||||
| 246 | K | 54.3 | Low | 42.6 | Very low | 198 Ų | 198 | 139 Ų | 139 | 86% | 0.861 | 84% | 0.84 | S | S | * | * | trans | -108.8 | 179.5 | 168.2 | -100.6 | -171.4 | -179.1 | -175 | 0 | 105.9 | ||||
| 247 | P | 47.7 | Very low | 42.7 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | cis | -135 | 179.1 | -35.5 | 35.6 | -18 | 0 | 0 | 0 | 111.4 | ||||
| 248 | A | 42.4 | Very low | 43.5 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | 164.8 | 131.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 249 | T | 49.3 | Very low | 44.4 | Very low | 212 Ų | 212 | 147.3 Ų | 147.3 | 100% | 1.301 | 84% | 0.838 | S | S | * | * | cis | -152.4 | 0 | -0.5 | -48.7 | 0 | 0 | 0 | 0 | 105.5 |
Retrieved 249 of 249 residues in 136.6 ms
(Link to these results)