| 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 | 43.2 | Very low | 61 | Low | 243 Ų | 243 | 122.1 Ų | 122.1 | 100% | 1.197 | 67% | 0.672 | S | S | * | * | 0 | 107.2 | 0 | -80.6 | 170 | 155.7 | 0 | 0 | 107.9 | |||||
| 2 | L | 44.9 | Very low | 62.3 | Low | 164 Ų | 164 | 121.7 Ų | 121.7 | 86% | 0.859 | 67% | 0.667 | S | S | * | * | trans | -133.4 | 110 | 173.5 | -90.2 | 159.3 | 0 | 0 | 0 | 106.6 | G4 | L2-G4 VanDerWaalsContact C-N 3.31Å; L2-G4 PolarHBondContact O-N 3.23Å; L2-G4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | P | 53.5 | Low | 63.1 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 87% | 0.87 | 65% | 0.647 | S | S | * | * | trans | -85.1 | 77.6 | 174.7 | 34.2 | -27.8 | 0 | 0 | 0 | 107.9 | ||||
| 4 | G | 57.2 | Low | 64.1 | Low | 41 Ų | 41 | 118.4 Ų | 118.4 | 42% | 0.423 | 64% | 0.64 | S | S | . | * | trans | -119.3 | -20 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | L2 | L2-G4 VanDerWaalsContact C-N 3.31Å; L2-G4 PolarHBondContact O-N 3.23Å; L2-G4 VanDerWaalsContact O-N 3.15Å | ||
| 5 | S | 59.5 | Low | 64.9 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 61% | 0.608 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -95 | -5.9 | -169.5 | 32.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 6 | S | 62.5 | Low | 65.3 | Low | 85 Ų | 85 | 114.3 Ų | 114.3 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -81.3 | -28.6 | 178.8 | -153.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 7 | V | 70.1 | Confident | 65.7 | Low | 95 Ų | 95 | 114 Ų | 114 | 58% | 0.576 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76 | -30.4 | -173.9 | -175.2 | 0 | 0 | 0 | 0 | 112 | I9 L11 | V7-I9 PolarHBondContact O-N 2.98Å; V7-L11 HydrophobicContact CG1-CD1 4.41Å; V7-L11 PolarHBondContact O-N 3.47Å; V7-L11 VanDerWaalsContact O-N 3.15Å |
| 8 | Y | 67.2 | Low | 65.9 | Low | 183 Ų | 183 | 111.2 Ų | 111.2 | 72% | 0.718 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.3 | -28 | 179.6 | -79.2 | -80.6 | 0 | 0 | 0 | 113.7 | L12 | Y8-L12 WeakPolarHBondContact O-CB 3.16Å; Y8-L12 PolarHBondContact O-N 3.44Å; Y8-L12 VanDerWaalsContact O-N 3.14Å |
| 9 | I | 67.7 | Low | 65.8 | Low | 77 Ų | 77 | 113 Ų | 113 | 40% | 0.395 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -76.2 | -40.4 | 179.1 | -66 | 175.2 | 0 | 0 | 0 | 110.6 | V7 L12 F13 V353 | V7-I9 PolarHBondContact O-N 2.98Å; I9-L12 PolarHBondContact O-N 3.34Å; I9-F13 HydrophobicContact CG2-CD2 4.15Å; I9-F13 HydrophobicContact CG2-CE2 4.41Å; I9-F13 PolarHBondContact O-N 3.07Å; I9-V353 HydrophobicContact CD1-CG1 4.34Å |
| 10 | E | 71.1 | Confident | 65.4 | Low | 130 Ų | 130 | 112.2 Ų | 112.2 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.3 | -44.2 | 172.9 | -80.9 | -77.2 | 150.2 | 0 | 0 | 111.7 | L12 F13 L14 | E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.5Å; E10-F13 PolarHBondContact O-N 3.12Å; E10-L14 PolarHBondContact O-N 2.79Å |
| 11 | L | 74.6 | Confident | 65 | Low | 104 Ų | 104 | 111.3 Ų | 111.3 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.6 | -37.4 | 177.2 | -117.6 | 91.4 | 0 | 0 | 0 | 112.5 | V7 L14 V15 | V7-L11 HydrophobicContact CG1-CD1 4.41Å; V7-L11 PolarHBondContact O-N 3.47Å; V7-L11 VanDerWaalsContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 3.1Å; L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 2.88Å |
| 12 | L | 76.4 | Confident | 65.6 | Low | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.7 | -37.8 | 178.3 | -151.8 | 87.2 | 0 | 0 | 0 | 111.6 | Y8 I9 E10 V15 L16 | Y8-L12 WeakPolarHBondContact O-CB 3.16Å; Y8-L12 PolarHBondContact O-N 3.44Å; Y8-L12 VanDerWaalsContact O-N 3.14Å; I9-L12 PolarHBondContact O-N 3.34Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.5Å; L12-V15 PolarHBondContact O-N 3.47Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.87Å |
| 13 | F | 73.1 | Confident | 65.8 | Low | 93 Ų | 93 | 103.6 Ų | 103.6 | 41% | 0.408 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.9 | -41.9 | 173.9 | -101.9 | -84.1 | 0 | 0 | 0 | 112.1 | I9 E10 L16 L17 V346 V350 | I9-F13 HydrophobicContact CG2-CD2 4.15Å; I9-F13 HydrophobicContact CG2-CE2 4.41Å; I9-F13 PolarHBondContact O-N 3.07Å; E10-F13 PolarHBondContact O-N 3.12Å; F13-L16 PolarHBondContact O-N 2.83Å; F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 VanDerWaalsContact O-CG 3.3Å; F13-L17 WeakPolarHBondContact O-CG 3.24Å; F13-L17 PolarHBondContact O-N 3.45Å; F13-V346 HydrophobicContact CE1-CG1 4.07Å; F13-V346 HydrophobicContact CE2-CG1 3.85Å; F13-V346 HydrophobicContact CZ-CG1 3.29Å; F13-V350 HydrophobicContact CE2-CG2 4.47Å |
| 14 | L | 76.1 | Confident | 65.6 | Low | 104 Ų | 104 | 103.3 Ų | 103.3 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66 | -37.5 | 176.7 | -76.3 | 168.5 | 0 | 0 | 0 | 112.5 | E10 L11 L17 S18 | E10-L14 PolarHBondContact O-N 2.79Å; L11-L14 PolarHBondContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 3.18Å; L14-S18 WeakPolarHBondContact O-CB 3.25Å; L14-S18 PolarHBondContact O-N 2.73Å; L14-S18 PolarHBondContact O-OG 3.05Å |
| 15 | V | 76.6 | Confident | 65.1 | Low | 75 Ų | 75 | 112.8 Ų | 112.8 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.7 | -33 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 112.2 | L11 L12 S18 H19 | L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 2.88Å; L12-V15 PolarHBondContact O-N 3.47Å; V15-S18 PolarHBondContact O-OG 3.28Å; V15-H19 PolarHBondContact O-N 2.83Å; V15-H19 PolarHBondContact O-ND1 3.15Å |
| 16 | L | 72 | Confident | 64.3 | Low | 97 Ų | 97 | 112.2 Ų | 112.2 | 51% | 0.508 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.1 | -37.6 | 174.7 | -72.2 | 170.7 | 0 | 0 | 0 | 111.9 | L12 F13 S18 H19 S20 | L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.87Å; F13-L16 PolarHBondContact O-N 2.83Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-H19 PolarHBondContact O-N 3.3Å; L16-S20 PolarHBondContact O-N 3.03Å; L16-S20 VanDerWaalsContact O-N 3.16Å |
| 17 | L | 71.8 | Confident | 63.4 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 57% | 0.571 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.3 | -33.4 | 173.6 | -72.7 | 168.7 | 0 | 0 | 0 | 112.1 | F13 L14 S21 | F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 VanDerWaalsContact O-CG 3.3Å; F13-L17 WeakPolarHBondContact O-CG 3.24Å; F13-L17 PolarHBondContact O-N 3.45Å; L14-L17 PolarHBondContact O-N 3.18Å; L17-S21 PolarHBondContact O-OG 2.74Å |
| 18 | S | 69.3 | Low | 62.1 | Low | 64 Ų | 64 | 119.6 Ų | 119.6 | 45% | 0.448 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.8 | -32 | 177.1 | 73.4 | 0 | 0 | 0 | 0 | 113 | L14 V15 L16 | L14-S18 WeakPolarHBondContact O-CB 3.25Å; L14-S18 PolarHBondContact O-N 2.73Å; L14-S18 PolarHBondContact O-OG 3.05Å; V15-S18 PolarHBondContact O-OG 3.28Å; L16-S18 VanDerWaalsContact C-N 3.34Å |
| 19 | H | 63 | Low | 61.1 | Low | 145 Ų | 145 | 118.4 Ų | 118.4 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -84 | -21.7 | 178 | -77 | 86.7 | 0 | 0 | 0 | 113.8 | V15 L16 S21 | V15-H19 PolarHBondContact O-N 2.83Å; V15-H19 PolarHBondContact O-ND1 3.15Å; L16-H19 PolarHBondContact O-N 3.3Å; H19-S21 PolarHBondContact O-N 3.4Å |
| 20 | S | 58.4 | Low | 60.2 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -7.7 | 176 | -172.1 | 0 | 0 | 0 | 0 | 113.8 | L16 | L16-S20 PolarHBondContact O-N 3.03Å; L16-S20 VanDerWaalsContact O-N 3.16Å |
| 21 | S | 57.4 | Low | 59.1 | Low | 93 Ų | 93 | 119.9 Ų | 119.9 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 3.7 | -170.7 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | L17 H19 | L17-S21 PolarHBondContact O-OG 2.74Å; H19-S21 PolarHBondContact O-N 3.4Å |
| 22 | S | 55.2 | Low | 57.5 | Low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -102.4 | -9.2 | -170.4 | -60.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 23 | D | 49.5 | Very low | 56.3 | Low | 154 Ų | 154 | 119.6 Ų | 119.6 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -127.5 | 48.3 | -176.1 | -64 | -38.7 | 0 | 0 | 0 | 113 | ||
| 24 | V | 49.5 | Very low | 54.9 | Low | 128 Ų | 128 | 121.4 Ų | 121.4 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -141.4 | 71.1 | 163.8 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 25 | Y | 46.7 | Very low | 53.8 | Low | 240 Ų | 240 | 122.1 Ų | 122.1 | 94% | 0.941 | 72% | 0.719 | S | S | * | * | trans | -137.8 | 99 | 162.5 | -98.3 | -82.6 | 0 | 0 | 0 | 108.4 | ||||
| 26 | G | 43.2 | Very low | 52.5 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -142 | 71.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 27 | F | 43.4 | Very low | 51.1 | Low | 199 Ų | 199 | 129.6 Ų | 129.6 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | trans | 63.4 | 88 | 147.7 | -125.8 | -94.9 | 0 | 0 | 0 | 118.6 | ||||
| 28 | T | 42.5 | Very low | 49.9 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -141.9 | 102.9 | 149.1 | 53.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 29 | D | 45.8 | Very low | 48.7 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -145.9 | 135.8 | 155.9 | -79.8 | -40.9 | 0 | 0 | 0 | 102.6 | ||||
| 30 | A | 48.7 | Very low | 47.8 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | cis | -178.5 | 161.5 | 45.2 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 31 | D | 48.4 | Very low | 47 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | cis | -171 | 132.3 | -3.6 | -176.5 | 3.4 | 0 | 0 | 0 | 102.3 | ||||
| 32 | A | 40.8 | Very low | 46.3 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -119.8 | 94.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 33 | T | 50.7 | Low | 45.7 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -106.9 | 112.4 | 168.3 | -42.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 34 | T | 44.6 | Very low | 45.4 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 126.9 | 169.7 | 40.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 35 | T | 52.5 | Low | 45.3 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -155.8 | 112.4 | 151 | -32.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 36 | D | 48.4 | Very low | 45.1 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 52.7 | 117.9 | 142.9 | -54.9 | -30.4 | 0 | 0 | 0 | 124.1 | ||||
| 37 | E | 43.1 | Very low | 44.8 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -50.6 | 166.3 | 152 | -113.8 | -161.8 | 110.6 | 0 | 0 | 113.2 | ||||
| 38 | P | 47.4 | Very low | 44.7 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -150.5 | 161.8 | 42.3 | 38.8 | -15.9 | 0 | 0 | 0 | 119.3 | ||||
| 39 | N | 43.5 | Very low | 44.7 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 63.6 | 111.2 | 135.9 | -159 | 31 | 0 | 0 | 0 | 122 | ||||
| 40 | S | 43.5 | Very low | 44.6 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | 137.3 | 140 | 109.9 | 76.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 41 | T | 43.2 | Very low | 45.1 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | 96.8 | 83.8 | 146.4 | -34.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 42 | I | 41.3 | Very low | 44.5 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 26.2 | 114.5 | 119.7 | -51.2 | 174.6 | 0 | 0 | 0 | 116.5 | |||||
| 43 | R | 43.4 | Very low | 45 | Very low | 251 Ų | 251 | 136.7 Ų | 136.7 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | trans | -157.1 | 129.2 | 133.4 | -123 | 176.3 | 173.8 | -172.8 | -2.9 | 113.3 | ||||
| 44 | E | 42.8 | Very low | 44.8 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -68.1 | 172.6 | 177.6 | -62.4 | 166 | 128.3 | 0 | 0 | 113.8 | ||||
| 45 | S | 47 | Very low | 44.7 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 96.6 | 134.1 | 153 | -39.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 46 | T | 42.3 | Very low | 44.5 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | cis | -162.3 | 140.8 | 14.4 | -35.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 47 | T | 37.1 | Very low | 44.6 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -51.1 | 129.8 | 160.1 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 48 | T | 42.8 | Very low | 45.3 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | -108 | 121.3 | 168.1 | -56.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 49 | V | 42.4 | Very low | 45.3 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 144.7 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 50 | L | 43.4 | Very low | 45.5 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 150.6 | 171.1 | -136 | 80.1 | 0 | 0 | 0 | 114.1 | ||
| 51 | P | 57.7 | Low | 45.4 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 126.2 | 151.1 | 32.3 | -22.9 | 0 | 0 | 0 | 110.4 | ||
| 52 | N | 37.4 | Very low | 45.6 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 144.9 | 165.8 | -157 | 24.5 | 0 | 0 | 0 | 108.4 | ||
| 53 | T | 51.5 | Low | 45.8 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | trans | -146 | 105.5 | 172 | -29 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 54 | T | 45.7 | Very low | 45.6 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | 72.8 | 129.9 | 106.1 | -45.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 55 | D | 42.5 | Very low | 46 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | cis | 178 | 142.2 | 4.4 | 172.2 | 11.9 | 0 | 0 | 0 | 104.3 | ||||
| 56 | H | 48.2 | Very low | 45.7 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | -178.3 | 109.5 | 136.8 | -100.2 | -38 | 0 | 0 | 0 | 113.6 | ||||
| 57 | S | 50.4 | Low | 45.8 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | trans | -12.2 | 129.5 | 144.5 | 174.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 58 | H | 58.6 | Low | 45.8 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | -162.7 | 139.2 | 113 | -115.1 | -78.1 | 0 | 0 | 0 | 114.2 | |||||
| 59 | D | 46.7 | Very low | 46.2 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | trans | -71.9 | 137 | -177.9 | 175.2 | 30.2 | 0 | 0 | 0 | 114.9 | ||||
| 60 | S | 48.3 | Very low | 46 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | -174.7 | 132.1 | 127.9 | -113.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 61 | T | 41 | Very low | 46.5 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -88.3 | 152.6 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 62 | I | 47.6 | Very low | 45.9 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 82% | 0.821 | 76% | 0.758 | S | S | * | * | 169.1 | 125.2 | 129.1 | -83.5 | 160.4 | 0 | 0 | 0 | 113 | |||||
| 63 | A | 45.1 | Very low | 46.1 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 52.3 | 109.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 64 | T | 40.1 | Very low | 45.9 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 33.3 | 120.2 | 109.2 | -39.1 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 65 | E | 49.7 | Very low | 45.8 | Very low | 193 Ų | 193 | 130 Ų | 130 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | -166.5 | 138.5 | 114.9 | -110.3 | -179.4 | -176.1 | 0 | 0 | 113.8 | |||||
| 66 | T | 40.4 | Very low | 46 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -86.2 | 145.2 | -179.9 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 67 | T | 44.9 | Very low | 45.9 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -156.8 | 125.2 | 139.3 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 68 | S | 37.4 | Very low | 46 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -99.5 | 144.2 | 168.9 | 176 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 69 | T | 51 | Low | 45.2 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -145.5 | 123.7 | 158.4 | -40.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 70 | T | 39.3 | Very low | 44.9 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | -101.3 | 135 | 175.3 | -60.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 71 | E | 52.2 | Low | 44.7 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -155.7 | 119 | 150.2 | -98.3 | -172.2 | 159.2 | 0 | 0 | 106.8 | ||||
| 72 | T | 45.4 | Very low | 44.7 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 108.5 | 126.1 | 61.7 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 73 | A | 41.8 | Very low | 44.5 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -81.1 | 158.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 74 | T | 48.2 | Very low | 44.1 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -172.9 | 106.4 | 144.7 | -65.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 75 | T | 42.6 | Very low | 44.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | 84.7 | 123.5 | 79.8 | -48.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 76 | R | 46.5 | Very low | 44.1 | Very low | 250 Ų | 250 | 129.4 Ų | 129.4 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | 80.5 | 123.5 | 149.4 | -98.9 | 176.4 | 177.7 | 174.2 | 0.2 | 122.2 | ||||
| 77 | G | 47.5 | Very low | 44.5 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 172.7 | 98 | 150.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 78 | M | 51.3 | Low | 44.6 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -56 | 152 | 171.5 | -75.3 | 169.6 | 167.7 | 0 | 0 | 112.1 | ||||
| 79 | T | 43.4 | Very low | 44.6 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | -172.1 | 131.5 | 116.1 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 80 | T | 39.6 | Very low | 44.4 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -80.5 | 141.3 | 179.8 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 81 | A | 44.9 | Very low | 45.2 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | 157.5 | 138.8 | 125.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 82 | G | 38.9 | Very low | 44.9 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 126.3 | 83.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 83 | V | 44.4 | Very low | 45.3 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -78 | 134.9 | 164.2 | 170.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 84 | T | 37.7 | Very low | 45.5 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -150 | 114.5 | 150.4 | -45.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 85 | T | 44.4 | Very low | 45.7 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -85.5 | 124.3 | 171.5 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 86 | T | 44.5 | Very low | 46.1 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -100 | 114.8 | 171.5 | -56.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 87 | K | 48.8 | Very low | 46.2 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -91.8 | 120.8 | 165.9 | -112.6 | -175.2 | 176.5 | -177.2 | 0 | 107.8 | T89 | K87-T89 PolarHBondContact O-N 3.28Š| ||
| 88 | E | 45.9 | Very low | 46.5 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -68.6 | 124.4 | 172.5 | -150.6 | 170.6 | -166.4 | 0 | 0 | 108.9 | ||||
| 89 | T | 38.4 | Very low | 46 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -116.1 | 126.2 | -176.5 | -65.7 | 0 | 0 | 0 | 0 | 108.5 | K87 | K87-T89 PolarHBondContact O-N 3.28Š| ||
| 90 | T | 46.6 | Very low | 46.2 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -55.3 | 140.3 | 171.3 | -47.5 | 0 | 0 | 0 | 0 | 112 | G92 | T90-G92 PolarHBondContact O-N 3.27Š| ||
| 91 | A | 55.7 | Low | 46.7 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 125.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 92 | G | 46.8 | Very low | 46.7 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | 95.3 | 75.5 | 122.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | T90 | T90-G92 PolarHBondContact O-N 3.27Š| |||
| 93 | V | 53.2 | Low | 47.1 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -150.8 | 127.9 | 137.8 | -178.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 94 | T | 46.2 | Very low | 46.8 | Very low | 132 Ų | 132 | 128 Ų | 128 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -113.6 | 124.4 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 95 | T | 52.3 | Low | 47.5 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -124.7 | 129.5 | 170.2 | -50.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 96 | T | 52.2 | Low | 47.8 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -110.1 | 119.1 | 178.6 | -47.8 | 0 | 0 | 0 | 0 | 109.1 | V98 | T96-V98 HydrophobicContact CG2-CG2 4.5Š| ||
| 97 | E | 48 | Very low | 48.6 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -93.9 | 132.7 | 166.9 | -83.8 | -175.3 | 147.9 | 0 | 0 | 109.8 | ||||
| 98 | V | 53.7 | Low | 49 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -121.6 | 112.6 | 166.1 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | T96 | T96-V98 HydrophobicContact CG2-CG2 4.5Š| ||
| 99 | T | 41.2 | Very low | 49.9 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -91.3 | 122.8 | 176.8 | -50.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 100 | T | 47.2 | Very low | 50.8 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -144.5 | 119.9 | 159.8 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 101 | A | 50.2 | Low | 51.6 | Low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 24.4 | 100.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 102 | G | 45.2 | Very low | 52.1 | Low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 89.3 | 99.4 | 144 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 103 | V | 46.2 | Very low | 52.8 | Low | 136 Ų | 136 | 135.9 Ų | 135.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 83.5 | 112.9 | 149.3 | -173.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 104 | T | 38.2 | Very low | 53.2 | Low | 121 Ų | 121 | 138.1 Ų | 138.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 89.5 | 134.3 | 144.9 | 13.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 105 | T | 51.9 | Low | 53.8 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | 83.8 | 110.2 | 137.7 | -46.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 106 | T | 51 | Low | 54.1 | Low | 138 Ų | 138 | 137.7 Ų | 137.7 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -83.3 | 109.9 | 163.4 | -46.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 107 | E | 61.9 | Low | 54.2 | Low | 159 Ų | 159 | 136.5 Ų | 136.5 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -102 | 120.7 | 171 | -158 | 175.5 | -156 | 0 | 0 | 108.4 | ||||
| 108 | V | 56.7 | Low | 54.4 | Low | 123 Ų | 123 | 133.5 Ų | 133.5 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | -91.3 | 107.1 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 109 | I | 64.9 | Low | 54.5 | Low | 135 Ų | 135 | 136.4 Ų | 136.4 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -96.9 | 105.5 | 174 | -59.4 | 175.9 | 0 | 0 | 0 | 108.5 | ||||
| 110 | T | 58.1 | Low | 54.8 | Low | 126 Ų | 126 | 135.5 Ų | 135.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -83.8 | 114.1 | 168.8 | -54.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 111 | K | 62.4 | Low | 55.1 | Low | 193 Ų | 193 | 136.6 Ų | 136.6 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -84.5 | 113.6 | 170.5 | -112 | -178.1 | 177.7 | -179.9 | 0 | 109.6 | ||||
| 112 | E | 67.1 | Low | 55.2 | Low | 188 Ų | 188 | 137.6 Ų | 137.6 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -69.7 | 119.5 | 169 | -165.3 | 172.5 | -170.6 | 0 | 0 | 108.8 | ||||
| 113 | M | 62.1 | Low | 55.4 | Low | 182 Ų | 182 | 141.3 Ų | 141.3 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -100.5 | 112.8 | 168.2 | -100.5 | -160.7 | -173.1 | 0 | 0 | 109.2 | ||||
| 114 | E | 60.9 | Low | 55.6 | Low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -57.1 | 126.5 | 175.3 | -167.7 | 174.8 | -177.5 | 0 | 0 | 111.7 | ||||
| 115 | T | 58.7 | Low | 56.2 | Low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -95.7 | 108.3 | 178 | -62 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 116 | T | 58.7 | Low | 55.8 | Low | 111 Ų | 111 | 145.2 Ų | 145.2 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 118.8 | 169.9 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | V118 | T116-V118 HydrophobicContact CG2-CG2 4.42Š| ||
| 117 | A | 53.6 | Low | 55.6 | Low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -77.6 | 116.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 118 | V | 53.6 | Low | 54.7 | Low | 116 Ų | 116 | 142.8 Ų | 142.8 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | -116.4 | 110.3 | 166.3 | 179.7 | 0 | 0 | 0 | 0 | 108 | T116 T120 | T116-V118 HydrophobicContact CG2-CG2 4.42Å; V118-T120 PolarHBondContact O-N 3.19Å | ||
| 119 | M | 55 | Low | 54.1 | Low | 188 Ų | 188 | 142.5 Ų | 142.5 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | -69.1 | 114.8 | 169 | -70.6 | -164.9 | 165.5 | 0 | 0 | 108.9 | ||||
| 120 | T | 48.1 | Very low | 53.3 | Low | 106 Ų | 106 | 141.4 Ų | 141.4 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -124.5 | 109.8 | 168.2 | -49 | 0 | 0 | 0 | 0 | 108.6 | V118 T122 | V118-T120 PolarHBondContact O-N 3.19Å; T120-T122 PolarHBondContact O-N 3.14Å | ||
| 121 | T | 52.1 | Low | 52.8 | Low | 148 Ų | 148 | 143 Ų | 143 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | trans | -74.6 | 110.2 | 170.1 | -37.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 122 | T | 53.5 | Low | 52.6 | Low | 116 Ų | 116 | 136.9 Ų | 136.9 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | trans | -118.3 | 126.2 | 178.7 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | T120 | T120-T122 PolarHBondContact O-N 3.14Š| ||
| 123 | D | 49 | Very low | 52.8 | Low | 150 Ų | 150 | 131.3 Ų | 131.3 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -48 | 135.8 | 178.2 | -76.4 | -49.7 | 0 | 0 | 0 | 113.5 | I125 | D123-I125 PolarHBondContact O-N 3Š| ||
| 124 | M | 50.7 | Low | 53.9 | Low | 185 Ų | 185 | 124.9 Ų | 124.9 | 91% | 0.911 | 73% | 0.726 | S | S | * | * | trans | -67.8 | 90.2 | 172.5 | -68.9 | -107.5 | -133.3 | 0 | 0 | 109.9 | T126 | M124-T126 PolarHBondContact O-N 3.26Å; M124-T126 VanDerWaalsContact O-N 3.1Å | ||
| 125 | I | 49.3 | Very low | 55.4 | Low | 145 Ų | 145 | 118.5 Ų | 118.5 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | trans | -67.8 | 105.1 | 160.2 | -63.2 | 177.1 | 0 | 0 | 0 | 107 | D123 T127 | D123-I125 PolarHBondContact O-N 3Å; I125-T127 VanDerWaalsContact C-N 3.34Å; I125-T127 PolarHBondContact O-N 3.25Å | ||
| 126 | T | 44.9 | Very low | 57.2 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -76.6 | 88.7 | 170.9 | -3.1 | 0 | 0 | 0 | 0 | 107.9 | M124 V128 | M124-T126 PolarHBondContact O-N 3.26Å; M124-T126 VanDerWaalsContact O-N 3.1Å; T126-V128 PolarHBondContact O-N 3.31Å; T126-V128 VanDerWaalsContact O-N 3.1Å | ||
| 127 | T | 47.2 | Very low | 59 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | -70.5 | 103.3 | 170.7 | -34.7 | 0 | 0 | 0 | 0 | 107.8 | I125 V129 | I125-T127 VanDerWaalsContact C-N 3.34Å; I125-T127 PolarHBondContact O-N 3.25Å; T127-V129 PolarHBondContact O-N 3.28Å | ||
| 128 | V | 42.4 | Very low | 61 | Low | 131 Ų | 131 | 108.7 Ų | 108.7 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | trans | -64 | 100.1 | 175.2 | -168.6 | 0 | 0 | 0 | 0 | 107.6 | T126 | T126-V128 PolarHBondContact O-N 3.31Å; T126-V128 VanDerWaalsContact O-N 3.1Å | ||
| 129 | V | 43.5 | Very low | 63.1 | Low | 117 Ų | 117 | 103.8 Ų | 103.8 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.8 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | T127 I131 | T127-V129 PolarHBondContact O-N 3.28Å; V129-I131 PolarHBondContact O-N 2.89Å |
| 130 | P | 48.2 | Very low | 65.1 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 126.7 | 179.1 | 21.3 | -30.5 | 0 | 0 | 0 | 109.6 | ||
| 131 | I | 48.5 | Very low | 67.3 | Low | 160 Ų | 160 | 99 Ų | 99 | 82% | 0.821 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 121.9 | -178.5 | -62.4 | 166 | 0 | 0 | 0 | 108 | V129 S133 | V129-I131 PolarHBondContact O-N 2.89Å; I131-S133 PolarHBondContact O-N 3.28Å |
| 132 | P | 56.9 | Low | 69.2 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 41% | 0.409 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 137.7 | 176.8 | 23.9 | -31.6 | 0 | 0 | 0 | 110 | V134 | P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 HydrophobicContact CG-CG2 4.42Å; P132-V134 PolarHBondContact O-N 2.93Å |
| 133 | S | 71.4 | Confident | 71.1 | Confident | 72 Ų | 72 | 97 Ų | 97 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | trans | -74.7 | 80.3 | 178.9 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | I131 H135 | I131-S133 PolarHBondContact O-N 3.28Å; S133-H135 PolarHBondContact O-N 2.84Å | ||
| 134 | V | 86.6 | Confident | 73.3 | Confident | 46 Ų | 46 | 91.3 Ų | 91.3 | 28% | 0.279 | 53% | 0.529 | S | S | . | . | trans | -75.3 | 117.9 | 177.8 | -169.7 | 0 | 0 | 0 | 0 | 109.2 | P132 Q150 N301 | P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 HydrophobicContact CG-CG2 4.42Å; P132-V134 PolarHBondContact O-N 2.93Å; V134-Q150 HydrophobicContact CG1-CG 3.31Å; V134-N301 HydrophobicContact CG1-CB 4.32Å; V134-N301 HydrophobicContact CG2-CB 3.98Å | ||
| 135 | H | 92.1 | Very high | 75.6 | Confident | 48 Ų | 48 | 83.7 Ų | 83.7 | 22% | 0.222 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 142.2 | 178.2 | -67.1 | -71.1 | 0 | 0 | 0 | 110.7 | S133 F137 Q150 S151 L173 | S133-H135 PolarHBondContact O-N 2.84Å; H135-F137 HydrophobicContact CB-CD2 4.46Å; H135-F137 HydrophobicContact CB-CE2 3.55Å; H135-F137 HydrophobicContact CB-CZ 3.82Å; H135-Q150 CarbonylContact O-C 3.6Å; H135-Q150 WeakPolarHBondContact O-CA 3.4Å; H135-S151 PolarHBondContact N-O 2.83Å; H135-S151 PolarHBondContact O-N 2.83Å; H135-L173 PolarHBondContact NE2-O 3.46Å |
| 136 | K | 95.4 | Very high | 77.8 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.7 | 176.8 | -169.1 | -170.9 | -177.2 | -156.7 | 0 | 109.8 | F149 Q150 E313 | K136-F149 CarbonylContact C-O 3.57Å; K136-F149 WeakPolarHBondContact CA-O 3.25Å; K136-Q150 HydrophobicContact CG-CB 4.46Å; K136-E313 WeakPolarHBondContact CE-OE1 3.26Å; K136-E313 PolarHBondContact NZ-O 2.93Å; K136-E313 IonicContact NZ-OE1 2.77Å; K136-E313 PolarHBondContact NZ-OE1 3.1Å |
| 137 | F | 96.7 | Very high | 80.3 | Confident | 15 Ų | 15 | 71 Ų | 71 | 7% | 0.066 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.9 | 179.1 | -55.6 | -83.4 | 0 | 0 | 0 | 109.3 | H135 F149 L173 A176 I178 L192 L194 | H135-F137 HydrophobicContact CB-CD2 4.46Å; H135-F137 HydrophobicContact CB-CE2 3.55Å; H135-F137 HydrophobicContact CB-CZ 3.82Å; F137-F149 AromaticContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CE1 4.4Å; F137-F149 PolarHBondContact N-O 2.89Å; F137-F149 PolarHBondContact O-N 3.06Å; F137-L173 HydrophobicContact CZ-CD2 4.48Å; F137-A176 HydrophobicContact CE1-CB 4.12Å; F137-A176 HydrophobicContact CZ-CB 3.92Å; F137-I178 HydrophobicContact CB-CD1 4.13Å; F137-I178 HydrophobicContact CB-CG1 4.49Å; F137-I178 HydrophobicContact CD1-CD1 4.27Å; F137-I178 HydrophobicContact CD1-CG1 3.86Å; F137-L192 HydrophobicContact CB-CD2 4.27Å; F137-L194 HydrophobicContact CD1-CD1 4.46Å; F137-L194 HydrophobicContact CD1-CD2 3.52Å; F137-L194 HydrophobicContact CD2-CD1 4.22Å; F137-L194 HydrophobicContact CE1-CD1 4.13Å; F137-L194 HydrophobicContact CE1-CD2 3.64Å; F137-L194 HydrophobicContact CE2-CD1 3.81Å; F137-L194 HydrophobicContact CG-CD1 4.5Å; F137-L194 HydrophobicContact CG-CD2 3.99Å; F137-L194 HydrophobicContact CZ-CD1 3.77Å; F137-L194 HydrophobicContact CZ-CD2 4.17Å |
| 138 | S | 97.1 | Very high | 82.8 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.2 | -177.6 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | F147 I178 | S138-F147 WeakPolarHBondContact CA-O 3.44Å; S138-I178 WeakPolarHBondContact O-CD1 3.47Å |
| 139 | L | 97.5 | Very high | 85.4 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.8 | 171.5 | -54.7 | 175.2 | 0 | 0 | 0 | 110.1 | Y145 C146 F147 I178 T190 L192 | L139-Y145 WeakPolarHBondContact O-CA 3.19Å; L139-C146 PolarHBondContact O-N 3.1Å; L139-C146 PolarHBondContact O-SG 2.94Å; L139-F147 HydrophobicContact CB-CB 4.08Å; L139-F147 HydrophobicContact CD1-CB 4.23Å; L139-F147 HydrophobicContact CD1-CD1 3.99Å; L139-F147 HydrophobicContact CD1-CG 4.37Å; L139-F147 HydrophobicContact CG-CB 4.32Å; L139-F147 HydrophobicContact CG-CD1 4.08Å; L139-F147 PolarHBondContact N-O 2.9Å; L139-I178 HydrophobicContact CD2-CD1 4.14Å; L139-I178 HydrophobicContact CD2-CG2 3.75Å; L139-T190 HydrophobicContact CD1-CG2 4.15Å; L139-L192 HydrophobicContact CD1-CD1 4.32Å; L139-L192 HydrophobicContact CD2-CD1 4.11Å; L139-L192 HydrophobicContact CG-CD1 4.33Å |
| 140 | K | 95.8 | Very high | 87.9 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 52% | 0.522 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.2 | 175.4 | -70.7 | -174.9 | 177.2 | -179.6 | 0 | 111.1 | S144 Y145 C146 | K140-S144 CarbonylContact C-O 3.51Å; K140-S144 VanDerWaalsContact CA-O 3.27Å; K140-S144 WeakPolarHBondContact CA-O 3.41Å; K140-Y145 HydrophobicContact CD-CE1 4.25Å; K140-Y145 VanDerWaalsContact CE-CE2 3.48Å; K140-Y145 VanDerWaalsContact CE-OH 3.25Å; K140-Y145 WeakPolarHBondContact CE-OH 3.35Å; K140-Y145 HydrophobicContact CG-CD1 3.8Å; K140-Y145 HydrophobicContact CG-CE1 3.92Å; K140-Y145 HydrophobicContact CG-CG 4.28Å; K140-Y145 PolarHBondContact NZ-OH 3.22Å; K140-C146 VanDerWaalsContact C-SG 3.56Å |
| 141 | S | 93.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 104.7 | 164.8 | -171.6 | 0 | 0 | 0 | 0 | 107.6 | N143 S144 | S141-N143 PolarHBondContact O-N 3.25Å; S141-S144 PolarHBondContact N-O 3.48Å; S141-S144 PolarHBondContact O-N 3.23Å |
| 142 | G | 92.4 | Very high | 92.4 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 67% | 0.67 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -123.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 143 | N | 94.3 | Very high | 94.2 | Very high | 156 Ų | 156 | 41.6 Ų | 41.6 | 83% | 0.834 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.8 | -178.2 | -69.3 | -12.5 | 0 | 0 | 0 | 113.9 | S141 | S141-N143 PolarHBondContact O-N 3.25Š|
| 144 | S | 95.7 | Very high | 95.3 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.6 | -178.1 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | K140 S141 N309 N310 | K140-S144 CarbonylContact C-O 3.51Å; K140-S144 VanDerWaalsContact CA-O 3.27Å; K140-S144 WeakPolarHBondContact CA-O 3.41Å; S141-S144 PolarHBondContact N-O 3.48Å; S141-S144 PolarHBondContact O-N 3.23Å; S144-N309 WeakPolarHBondContact CB-OD1 3.42Å; S144-N309 PolarHBondContact OG-OD1 2.87Å; S144-N310 CarbonylContact C-O 3.6Å; S144-N310 WeakPolarHBondContact CA-O 3.44Å |
| 145 | Y | 97 | Very high | 95.7 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.9 | 163.3 | -68.4 | -83.9 | 0 | 0 | 0 | 109.2 | L139 K140 L148 M308 N310 E313 | L139-Y145 WeakPolarHBondContact O-CA 3.19Å; K140-Y145 HydrophobicContact CD-CE1 4.25Å; K140-Y145 VanDerWaalsContact CE-CE2 3.48Å; K140-Y145 VanDerWaalsContact CE-OH 3.25Å; K140-Y145 WeakPolarHBondContact CE-OH 3.35Å; K140-Y145 HydrophobicContact CG-CD1 3.8Å; K140-Y145 HydrophobicContact CG-CE1 3.92Å; K140-Y145 HydrophobicContact CG-CG 4.28Å; K140-Y145 PolarHBondContact NZ-OH 3.22Å; Y145-L148 HydrophobicContact CD1-CD2 4.15Å; Y145-M308 CarbonylContact O-C 3.54Å; Y145-M308 WeakPolarHBondContact O-CG 3.09Å; Y145-N310 PolarHBondContact N-O 3.22Å; Y145-N310 PolarHBondContact O-N 2.78Å; Y145-E313 HydrophobicContact CD1-CB 4.37Å; Y145-E313 HydrophobicContact CD1-CG 3.94Å; Y145-E313 HydrophobicContact CD2-CB 4.16Å; Y145-E313 HydrophobicContact CE1-CB 3.81Å; Y145-E313 HydrophobicContact CE1-CG 3.41Å; Y145-E313 VanDerWaalsContact CE1-CG 3.41Å; Y145-E313 HydrophobicContact CE2-CB 3.61Å; Y145-E313 HydrophobicContact CE2-CG 4.18Å; Y145-E313 HydrophobicContact CG-CG 4.47Å; Y145-E313 PolarHBondContact OH-OE2 3.31Å |
| 146 | C | 96.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -18 | 179.1 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | L139 K140 C185 F307 M308 | L139-C146 PolarHBondContact O-N 3.1Å; L139-C146 PolarHBondContact O-SG 2.94Å; K140-C146 VanDerWaalsContact C-SG 3.56Å; C146-C185 HydrophobicContact CB-CB 3.48Å; C146-C185 VanDerWaalsContact CB-CB 3.48Å; C146-C185 WeakPolarHBondContact CB-SG 3.45Å; C146-C185 WeakPolarHBondContact SG-CB 3.04Å; C146-C185 CovalentContact SG-SG 2.02Å; C146-C185 PolarHBondContact SG-SG 3.41Å; C146-F307 PolarHBondContact O-N 3.1Å; C146-M308 WeakPolarHBondContact CA-O 3.42Å; C146-M308 PolarHBondContact O-N 2.94Å; C146-M308 VanDerWaalsContact O-N 3.13Å |
| 147 | F | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 136.7 | -177.4 | -179.3 | -101.7 | 0 | 0 | 0 | 110.8 | S138 L139 F149 T190 L192 F213 V304 E305 A306 | S138-F147 WeakPolarHBondContact CA-O 3.44Å; L139-F147 HydrophobicContact CB-CB 4.08Å; L139-F147 HydrophobicContact CD1-CB 4.23Å; L139-F147 HydrophobicContact CD1-CD1 3.99Å; L139-F147 HydrophobicContact CD1-CG 4.37Å; L139-F147 HydrophobicContact CG-CB 4.32Å; L139-F147 HydrophobicContact CG-CD1 4.08Å; L139-F147 PolarHBondContact N-O 2.9Å; F147-F149 HydrophobicContact CD1-CB 4.31Å; F147-F149 HydrophobicContact CE1-CB 3.37Å; F147-F149 HydrophobicContact CE1-CG 4.32Å; F147-F149 HydrophobicContact CZ-CB 3.6Å; F147-F149 HydrophobicContact CZ-CD2 4.19Å; F147-F149 HydrophobicContact CZ-CG 4.26Å; F147-T190 HydrophobicContact CB-CG2 3.83Å; F147-T190 HydrophobicContact CD1-CG2 4.4Å; F147-T190 HydrophobicContact CD2-CG2 3.59Å; F147-T190 HydrophobicContact CE2-CG2 4.22Å; F147-T190 HydrophobicContact CG-CG2 3.7Å; F147-L192 HydrophobicContact CE1-CB 3.92Å; F147-L192 HydrophobicContact CE1-CD2 3.79Å; F147-L192 HydrophobicContact CE1-CG 4.27Å; F147-L192 HydrophobicContact CZ-CB 4.4Å; F147-L192 HydrophobicContact CZ-CD2 4.46Å; F147-F213 HydrophobicContact CE2-CD1 4.38Å; F147-F213 AromaticContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CE1 4.19Å; F147-F213 AromaticContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CG 4.13Å; F147-F213 AromaticContact CE2-CZ 3.78Å; F147-F213 HydrophobicContact CE2-CZ 3.78Å; F147-F213 AromaticContact CZ-CD2 3.96Å; F147-F213 HydrophobicContact CZ-CD2 3.96Å; F147-F213 AromaticContact CZ-CE2 3.36Å; F147-F213 HydrophobicContact CZ-CE2 3.36Å; F147-F213 AromaticContact CZ-CZ 3.71Å; F147-F213 HydrophobicContact CZ-CZ 3.71Å; F147-V304 HydrophobicContact CE2-CG2 3.63Å; F147-V304 HydrophobicContact CZ-CG2 3.91Å; F147-E305 WeakPolarHBondContact CA-O 3.18Å; F147-A306 HydrophobicContact CD2-CB 3.67Å; F147-A306 HydrophobicContact CE2-CB 3.99Å |
| 148 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133 | 170.7 | -62.7 | 177.9 | 0 | 0 | 0 | 108.9 | Y145 V304 E305 M308 E313 A314 F315 | Y145-L148 HydrophobicContact CD1-CD2 4.15Å; L148-V304 VanDerWaalsContact O-CA 3.32Å; L148-V304 WeakPolarHBondContact O-CA 3.31Å; L148-E305 PolarHBondContact N-O 3.46Å; L148-E305 PolarHBondContact O-N 2.9Å; L148-M308 HydrophobicContact CB-SD 4.39Å; L148-M308 HydrophobicContact CD1-CE 3.77Å; L148-M308 HydrophobicContact CD1-SD 3.89Å; L148-M308 HydrophobicContact CG-CE 4.23Å; L148-M308 HydrophobicContact CG-SD 3.65Å; L148-E313 HydrophobicContact CD2-CG 3.56Å; L148-A314 VanDerWaalsContact CD1-O 3.29Å; L148-A314 WeakPolarHBondContact CD1-O 3.42Å; L148-F315 HydrophobicContact CB-CD1 4.27Å; L148-F315 HydrophobicContact CB-CE1 3.66Å; L148-F315 HydrophobicContact CB-CZ 3.98Å; L148-F315 HydrophobicContact CD1-CD1 4.44Å |
| 149 | F | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.2 | 177.4 | 177 | -84.5 | 0 | 0 | 0 | 109.8 | K136 F137 F147 I153 L192 L211 F213 M299 L302 K303 V304 | K136-F149 CarbonylContact C-O 3.57Å; K136-F149 WeakPolarHBondContact CA-O 3.25Å; F137-F149 AromaticContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CE1 4.4Å; F137-F149 PolarHBondContact N-O 2.89Å; F137-F149 PolarHBondContact O-N 3.06Å; F147-F149 HydrophobicContact CD1-CB 4.31Å; F147-F149 HydrophobicContact CE1-CB 3.37Å; F147-F149 HydrophobicContact CE1-CG 4.32Å; F147-F149 HydrophobicContact CZ-CB 3.6Å; F147-F149 HydrophobicContact CZ-CD2 4.19Å; F147-F149 HydrophobicContact CZ-CG 4.26Å; F149-I153 HydrophobicContact CE1-CD1 3.76Å; F149-I153 HydrophobicContact CZ-CD1 3.93Å; F149-L192 HydrophobicContact CB-CD2 4.18Å; F149-L192 HydrophobicContact CD1-CD2 4.17Å; F149-L192 HydrophobicContact CG-CD2 4.17Å; F149-L211 HydrophobicContact CD2-CD1 4.1Å; F149-L211 HydrophobicContact CE1-CD1 4.3Å; F149-L211 HydrophobicContact CE2-CD1 3.55Å; F149-L211 HydrophobicContact CZ-CD1 3.67Å; F149-F213 HydrophobicContact CD2-CZ 4.38Å; F149-M299 HydrophobicContact CZ-SD 4.26Å; F149-L302 HydrophobicContact CD2-CD1 4.09Å; F149-L302 HydrophobicContact CE2-CD1 3.45Å; F149-L302 VanDerWaalsContact CE2-CD1 3.45Å; F149-L302 HydrophobicContact CZ-CD1 3.86Å; F149-K303 CarbonylContact C-O 3.11Å; F149-K303 WeakPolarHBondContact CA-O 3Å; F149-V304 HydrophobicContact CD2-CB 4.12Å; F149-V304 HydrophobicContact CD2-CG2 4.08Å |
| 150 | Q | 96.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 127.9 | 179.9 | 176.9 | 179.9 | -36.3 | 0 | 0 | 108.8 | V134 H135 K136 L302 K303 F315 | V134-Q150 HydrophobicContact CG1-CG 3.31Å; H135-Q150 CarbonylContact O-C 3.6Å; H135-Q150 WeakPolarHBondContact O-CA 3.4Å; K136-Q150 HydrophobicContact CG-CB 4.46Å; Q150-L302 CarbonylContact O-C 3.49Å; Q150-L302 VanDerWaalsContact O-CA 3.28Å; Q150-L302 WeakPolarHBondContact O-CA 3.43Å; Q150-K303 HydrophobicContact CB-CB 4.24Å; Q150-K303 PolarHBondContact N-O 2.89Å; Q150-K303 PolarHBondContact O-N 3.44Å; Q150-F315 HydrophobicContact CB-CE2 4.23Å; Q150-F315 HydrophobicContact CB-CZ 4.02Å |
| 151 | S | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 152.1 | 179.4 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | H135 K300 | H135-S151 PolarHBondContact N-O 2.83Å; H135-S151 PolarHBondContact O-N 2.83Å; S151-K300 PolarHBondContact OG-O 2.74Å |
| 152 | D | 94.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 111.6 | 159.6 | 173.8 | 17.8 | 0 | 0 | 0 | 108.3 | M299 K300 | D152-M299 WeakPolarHBondContact O-CA 3.13Å; D152-K300 HydrophobicContact CB-CB 4.2Å; D152-K300 PolarHBondContact N-O 3.17Å; D152-K300 PolarHBondContact O-N 3.37Å |
| 153 | I | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.5 | -170.4 | -64.5 | 171.5 | 0 | 0 | 0 | 109.8 | F149 F155 T172 L173 L209 L297 F298 M299 | F149-I153 HydrophobicContact CE1-CD1 3.76Å; F149-I153 HydrophobicContact CZ-CD1 3.93Å; I153-F155 HydrophobicContact CG2-CD2 4.06Å; I153-F155 HydrophobicContact CG2-CE1 4.46Å; I153-F155 HydrophobicContact CG2-CE2 3.42Å; I153-F155 VanDerWaalsContact CG2-CE2 3.42Å; I153-F155 HydrophobicContact CG2-CZ 3.66Å; I153-T172 WeakPolarHBondContact O-CA 3.39Å; I153-T172 WeakPolarHBondContact O-CG2 3.49Å; I153-L173 HydrophobicContact CB-CB 3.82Å; I153-L173 HydrophobicContact CB-CD2 4.03Å; I153-L173 HydrophobicContact CD1-CD2 3.66Å; I153-L173 HydrophobicContact CG1-CD2 4.35Å; I153-L173 HydrophobicContact CG2-CB 4.07Å; I153-L173 HydrophobicContact CG2-CD2 4.4Å; I153-L173 PolarHBondContact O-N 2.81Å; I153-L209 HydrophobicContact CD1-CD2 4.06Å; I153-L297 HydrophobicContact CG2-CD1 3.59Å; I153-F298 WeakPolarHBondContact CA-O 3.17Å; I153-M299 HydrophobicContact CG1-CG 4.22Å |
| 154 | M | 94.4 | Very high | 94 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 26% | 0.256 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.7 | 172.8 | -179.1 | -177.1 | 64.4 | 0 | 0 | 110.7 | F171 F298 | M154-F171 WeakPolarHBondContact CA-O 3.49Å; M154-F171 WeakPolarHBondContact CG-O 3.46Å; M154-F298 HydrophobicContact CB-CB 4.31Å; M154-F298 HydrophobicContact CE-CB 4.02Å; M154-F298 HydrophobicContact CE-CD2 3.58Å; M154-F298 HydrophobicContact CE-CE2 4.17Å; M154-F298 HydrophobicContact CE-CG 3.79Å; M154-F298 PolarHBondContact N-O 2.78Å; M154-F298 PolarHBondContact O-N 3.32Å |
| 155 | F | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.2 | 177.5 | -63.2 | -84.9 | 0 | 0 | 0 | 110.8 | I153 K170 F171 L173 F196 L209 L239 K296 L297 | I153-F155 HydrophobicContact CG2-CD2 4.06Å; I153-F155 HydrophobicContact CG2-CE1 4.46Å; I153-F155 HydrophobicContact CG2-CE2 3.42Å; I153-F155 VanDerWaalsContact CG2-CE2 3.42Å; I153-F155 HydrophobicContact CG2-CZ 3.66Å; F155-K170 CarbonylContact O-C 3.48Å; F155-K170 VanDerWaalsContact O-CA 3.27Å; F155-K170 WeakPolarHBondContact O-CA 3.38Å; F155-F171 HydrophobicContact CB-CD1 4.08Å; F155-F171 HydrophobicContact CB-CD2 4.21Å; F155-F171 HydrophobicContact CB-CE1 3.48Å; F155-F171 VanDerWaalsContact CB-CE1 3.48Å; F155-F171 HydrophobicContact CB-CE2 3.62Å; F155-F171 HydrophobicContact CB-CG 4.41Å; F155-F171 HydrophobicContact CB-CZ 3.2Å; F155-F171 HydrophobicContact CD1-CZ 4.48Å; F155-F171 AromaticContact CD2-CD2 3.96Å; F155-F171 HydrophobicContact CD2-CD2 3.96Å; F155-F171 AromaticContact CD2-CE2 3.21Å; F155-F171 HydrophobicContact CD2-CE2 3.21Å; F155-F171 AromaticContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CE2-CE2 4.04Å; F155-F171 HydrophobicContact CG-CE1 4.32Å; F155-F171 AromaticContact CG-CE2 3.67Å; F155-F171 HydrophobicContact CG-CE2 3.67Å; F155-F171 AromaticContact CG-CZ 3.54Å; F155-F171 HydrophobicContact CG-CZ 3.54Å; F155-F171 PolarHBondContact N-O 3.3Å; F155-F171 PolarHBondContact O-N 2.67Å; F155-L173 HydrophobicContact CE2-CB 4.4Å; F155-L173 HydrophobicContact CE2-CD1 4.45Å; F155-F196 HydrophobicContact CE2-CZ 4.11Å; F155-L209 HydrophobicContact CE1-CD1 4.09Å; F155-L209 HydrophobicContact CZ-CD1 3.88Å; F155-L209 HydrophobicContact CZ-CD2 3.92Å; F155-L209 HydrophobicContact CZ-CG 4.31Å; F155-L239 HydrophobicContact CD1-CD2 3.73Å; F155-L239 HydrophobicContact CE1-CB 4.5Å; F155-L239 HydrophobicContact CE1-CD1 4.03Å; F155-L239 HydrophobicContact CE1-CD2 3.9Å; F155-L239 HydrophobicContact CE1-CG 4.36Å; F155-L239 HydrophobicContact CG-CD2 4.36Å; F155-L239 HydrophobicContact CZ-CD1 4.08Å; F155-K296 CarbonylContact C-O 3.49Å; F155-K296 WeakPolarHBondContact CA-O 3.39Å; F155-L297 HydrophobicContact CD1-CB 4.47Å; F155-L297 HydrophobicContact CD1-CD1 4.01Å; F155-L297 HydrophobicContact CE1-CD1 3.65Å; F155-L297 HydrophobicContact CZ-CD1 4.05Å |
| 156 | Q | 95.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 101.8 | 167 | -176.3 | 175.5 | 8.8 | 0 | 0 | 109 | F158 S168 Y169 K170 C295 K296 F298 | Q156-F158 HydrophobicContact CB-CE2 4.15Å; Q156-F158 HydrophobicContact CG-CD2 4.37Å; Q156-F158 HydrophobicContact CG-CE1 4.35Å; Q156-F158 HydrophobicContact CG-CE2 3.63Å; Q156-F158 HydrophobicContact CG-CZ 3.64Å; Q156-F158 WeakPolarHBondContact O-CD2 3.32Å; Q156-F158 WeakPolarHBondContact O-CE2 3.27Å; Q156-S168 PolarHBondContact NE2-OG 3.24Å; Q156-S168 VanDerWaalsContact NE2-OG 3.1Å; Q156-Y169 CarbonylContact C-O 3.59Å; Q156-Y169 WeakPolarHBondContact CA-O 3.16Å; Q156-K170 HydrophobicContact CB-CG 3.83Å; Q156-K170 HydrophobicContact CG-CD 4.4Å; Q156-K170 HydrophobicContact CG-CG 3.62Å; Q156-K170 VanDerWaalsContact NE2-CE 3.28Å; Q156-C295 CarbonylContact O-C 3.45Å; Q156-C295 VanDerWaalsContact O-CA 3.3Å; Q156-C295 WeakPolarHBondContact O-CA 3.05Å; Q156-K296 HydrophobicContact CB-CB 4.27Å; Q156-K296 PolarHBondContact N-O 3.18Å; Q156-K296 PolarHBondContact O-N 3.49Å; Q156-F298 HydrophobicContact CB-CE2 4.04Å |
| 157 | V | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.7 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 109.4 | S168 Y169 F171 Y241 F248 C295 | V157-S168 CarbonylContact O-C 3.53Å; V157-S168 WeakPolarHBondContact O-CA 3.27Å; V157-Y169 PolarHBondContact N-O 2.7Å; V157-Y169 PolarHBondContact O-N 2.83Å; V157-F171 HydrophobicContact CG2-CE1 3.79Å; V157-F171 HydrophobicContact CG2-CZ 4.39Å; V157-Y241 HydrophobicContact CG1-CE1 4.43Å; V157-Y241 HydrophobicContact CG1-CE2 3.63Å; V157-Y241 WeakPolarHBondContact CG1-OH 3.48Å; V157-Y241 HydrophobicContact CG2-CE1 4.35Å; V157-Y241 HydrophobicContact CG2-CE2 4.39Å; V157-F248 HydrophobicContact CB-CE1 3.98Å; V157-F248 HydrophobicContact CB-CZ 4.34Å; V157-F248 HydrophobicContact CG1-CE1 3.6Å; V157-F248 HydrophobicContact CG1-CZ 4.02Å; V157-C295 HydrophobicContact CG2-CB 4.24Å |
| 158 | F | 94.4 | Very high | 93 | Very high | 48 Ų | 48 | 47 Ų | 47 | 21% | 0.211 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.7 | 174.9 | -61.6 | -95 | 0 | 0 | 0 | 109.4 | Q156 V166 K167 N293 N294 K296 | Q156-F158 HydrophobicContact CB-CE2 4.15Å; Q156-F158 HydrophobicContact CG-CD2 4.37Å; Q156-F158 HydrophobicContact CG-CE1 4.35Å; Q156-F158 HydrophobicContact CG-CE2 3.63Å; Q156-F158 HydrophobicContact CG-CZ 3.64Å; Q156-F158 WeakPolarHBondContact O-CD2 3.32Å; Q156-F158 WeakPolarHBondContact O-CE2 3.27Å; F158-V166 HydrophobicContact CB-CG1 4.1Å; F158-V166 HydrophobicContact CD1-CG1 4.19Å; F158-K167 WeakPolarHBondContact CA-O 3.35Å; F158-N293 WeakPolarHBondContact O-CB 3.32Å; F158-N294 WeakPolarHBondContact CB-O 3.42Å; F158-N294 PolarHBondContact N-O 3.43Å; F158-N294 PolarHBondContact O-N 3.03Å; F158-K296 HydrophobicContact CE2-CB 4.24Å; F158-K296 HydrophobicContact CE2-CD 3.88Å; F158-K296 HydrophobicContact CE2-CG 3.78Å; F158-K296 HydrophobicContact CZ-CD 4.08Å; F158-K296 HydrophobicContact CZ-CG 4.47Å |
| 159 | Y | 92.1 | Very high | 92.8 | Very high | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.7 | -176.8 | 71.2 | -81.9 | 0 | 0 | 0 | 111.3 | K167 F248 P249 | Y159-K167 HydrophobicContact CD1-CB 4.1Å; Y159-K167 WeakPolarHBondContact CD1-O 3.42Å; Y159-K167 HydrophobicContact CE1-CB 3.49Å; Y159-K167 VanDerWaalsContact CE1-CB 3.49Å; Y159-K167 HydrophobicContact CE2-CB 4Å; Y159-K167 HydrophobicContact CE2-CD 4.22Å; Y159-K167 VanDerWaalsContact CZ-CB 3.45Å; Y159-K167 PolarHBondContact N-O 2.83Å; Y159-K167 PolarHBondContact O-N 2.76Å; Y159-K167 WeakPolarHBondContact OH-CD 3.4Å; Y159-F248 AromaticContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CE1 4.26Å; Y159-F248 HydrophobicContact CD1-CG 4.47Å; Y159-F248 HydrophobicContact CD2-CB 4.27Å; Y159-F248 HydrophobicContact CE1-CB 4.33Å; Y159-F248 AromaticContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE2-CB 4.06Å; Y159-F248 HydrophobicContact CG-CB 4.47Å; Y159-F248 HydrophobicContact CG-CD1 4.05Å; Y159-P249 WeakPolarHBondContact CE2-O 3.4Å; Y159-P249 WeakPolarHBondContact OH-CD 3.45Å; Y159-P249 PolarHBondContact OH-O 2.83Å; Y159-P249 VanDerWaalsContact OH-O 3.05Å |
| 160 | N | 90.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 132.4 | 177.1 | -67.5 | -63.8 | 0 | 0 | 0 | 110.5 | L252 | N160-L252 HydrophobicContact CB-CD1 3.63Å; N160-L252 HydrophobicContact CB-CG 4.27Å; N160-L252 PolarHBondContact O-N 3.02Å |
| 161 | S | 90.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 162.3 | 176.5 | 70.2 | 0 | 0 | 0 | 0 | 113.3 | S163 K164 L165 D250 | S161-S163 PolarHBondContact O-N 3.05Å; S161-S163 VanDerWaalsContact O-N 3.15Å; S161-S163 PolarHBondContact OG-N 3.03Å; S161-S163 PolarHBondContact OG-OG 3.4Å; S161-K164 WeakPolarHBondContact O-CA 3.33Å; S161-K164 PolarHBondContact O-N 2.86Å; S161-L165 PolarHBondContact N-O 2.85Å; S161-L165 PolarHBondContact OG-N 2.91Å; S161-L165 PolarHBondContact OG-O 2.97Å; S161-D250 CarbonylContact C-O 3.36Å; S161-D250 WeakPolarHBondContact CA-O 3.39Å; S161-D250 WeakPolarHBondContact CB-O 3.4Å |
| 162 | H | 88.8 | Confident | 92.1 | Very high | 128 Ų | 128 | 56.3 Ų | 56.3 | 59% | 0.593 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.8 | 169.1 | -81.2 | -103.8 | 0 | 0 | 0 | 113.2 | K164 D250 S251 L252 | H162-K164 PolarHBondContact O-N 2.89Å; H162-D250 PolarHBondContact CD2-O 2.95Å; H162-D250 VanDerWaalsContact CD2-O 3.3Å; H162-D250 PolarHBondContact N-O 2.87Å; H162-S251 PolarHBondContact CD2-O 3.26Å; H162-S251 VanDerWaalsContact CD2-O 3.26Å; H162-S251 PolarHBondContact NE2-O 2.89Å; H162-L252 HydrophobicContact CB-CD2 4.43Å |
| 163 | S | 89.3 | Confident | 91.9 | Very high | 72 Ų | 72 | 55.1 Ų | 55.1 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 7.4 | 174 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | S161 L165 | S161-S163 PolarHBondContact O-N 3.05Å; S161-S163 VanDerWaalsContact O-N 3.15Å; S161-S163 PolarHBondContact OG-N 3.03Å; S161-S163 PolarHBondContact OG-OG 3.4Å; S163-L165 PolarHBondContact O-N 2.99Å |
| 164 | K | 84.1 | Confident | 91.5 | Very high | 192 Ų | 192 | 55.3 Ų | 55.3 | 84% | 0.835 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 58.9 | 24.9 | -175.1 | -54.3 | -178.4 | -179.6 | -179.6 | 0 | 114 | S161 H162 | S161-K164 WeakPolarHBondContact O-CA 3.33Å; S161-K164 PolarHBondContact O-N 2.86Å; H162-K164 PolarHBondContact O-N 2.89Å |
| 165 | L | 89.5 | Confident | 91.1 | Very high | 109 Ų | 109 | 59 Ų | 59 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | trans | -101.2 | 147.3 | 173.4 | -63.3 | 176.7 | 0 | 0 | 0 | 109.4 | S161 S163 | S161-L165 PolarHBondContact N-O 2.85Å; S161-L165 PolarHBondContact OG-N 2.91Å; S161-L165 PolarHBondContact OG-O 2.97Å; S163-L165 PolarHBondContact O-N 2.99Å | ||
| 166 | V | 91.4 | Very high | 91 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.7 | 169.3 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | F158 | F158-V166 HydrophobicContact CB-CG1 4.1Å; F158-V166 HydrophobicContact CD1-CG1 4.19Å |
| 167 | K | 93.4 | Very high | 90.9 | Very high | 65 Ų | 65 | 62.9 Ų | 62.9 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 160.6 | 172 | -68.9 | -176.4 | -178.9 | -179.9 | 0 | 109.2 | F158 Y159 D250 | F158-K167 WeakPolarHBondContact CA-O 3.35Å; Y159-K167 HydrophobicContact CD1-CB 4.1Å; Y159-K167 WeakPolarHBondContact CD1-O 3.42Å; Y159-K167 HydrophobicContact CE1-CB 3.49Å; Y159-K167 VanDerWaalsContact CE1-CB 3.49Å; Y159-K167 HydrophobicContact CE2-CB 4Å; Y159-K167 HydrophobicContact CE2-CD 4.22Å; Y159-K167 VanDerWaalsContact CZ-CB 3.45Å; Y159-K167 PolarHBondContact N-O 2.83Å; Y159-K167 PolarHBondContact O-N 2.76Å; Y159-K167 WeakPolarHBondContact OH-CD 3.4Å; K167-D250 IonicContact NZ-OD2 2.74Å; K167-D250 PolarHBondContact NZ-OD2 2.81Å |
| 168 | S | 93.3 | Very high | 91 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.3 | 175.5 | 79.7 | 0 | 0 | 0 | 0 | 112.5 | Q156 V157 | Q156-S168 PolarHBondContact NE2-OG 3.24Å; Q156-S168 VanDerWaalsContact NE2-OG 3.1Å; V157-S168 CarbonylContact O-C 3.53Å; V157-S168 WeakPolarHBondContact O-CA 3.27Å |
| 169 | Y | 92.4 | Very high | 91.1 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.1 | 175 | -178.8 | -108.3 | 0 | 0 | 0 | 109.7 | Q156 V157 F171 L247 F248 | Q156-Y169 CarbonylContact C-O 3.59Å; Q156-Y169 WeakPolarHBondContact CA-O 3.16Å; V157-Y169 PolarHBondContact N-O 2.7Å; V157-Y169 PolarHBondContact O-N 2.83Å; Y169-F171 HydrophobicContact CD1-CB 4.5Å; Y169-F171 AromaticContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CE1 4.41Å; Y169-F171 HydrophobicContact CD1-CG 4.48Å; Y169-F171 HydrophobicContact CE1-CB 3.83Å; Y169-F171 AromaticContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CG 4.09Å; Y169-L247 HydrophobicContact CE1-CD2 3.95Å; Y169-L247 HydrophobicContact CE2-CD2 4.24Å; Y169-L247 WeakPolarHBondContact OH-CD2 3.32Å; Y169-F248 HydrophobicContact CD1-CE1 4.31Å; Y169-F248 HydrophobicContact CD1-CZ 4.4Å; Y169-F248 HydrophobicContact CG-CE1 4.4Å |
| 170 | K | 93.2 | Very high | 91.2 | Very high | 119 Ų | 119 | 69.7 Ų | 69.7 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136 | 178.3 | -72.3 | -173 | 175.9 | -176.9 | 0 | 110.3 | F155 Q156 | F155-K170 CarbonylContact O-C 3.48Å; F155-K170 VanDerWaalsContact O-CA 3.27Å; F155-K170 WeakPolarHBondContact O-CA 3.38Å; Q156-K170 HydrophobicContact CB-CG 3.83Å; Q156-K170 HydrophobicContact CG-CD 4.4Å; Q156-K170 HydrophobicContact CG-CG 3.62Å; Q156-K170 VanDerWaalsContact NE2-CE 3.28Å |
| 171 | F | 90.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 5% | 0.053 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 147.8 | 174.8 | 61.5 | -83.4 | 0 | 0 | 0 | 111 | M154 F155 V157 Y169 F196 W207 | M154-F171 WeakPolarHBondContact CA-O 3.49Å; M154-F171 WeakPolarHBondContact CG-O 3.46Å; F155-F171 HydrophobicContact CB-CD1 4.08Å; F155-F171 HydrophobicContact CB-CD2 4.21Å; F155-F171 HydrophobicContact CB-CE1 3.48Å; F155-F171 VanDerWaalsContact CB-CE1 3.48Å; F155-F171 HydrophobicContact CB-CE2 3.62Å; F155-F171 HydrophobicContact CB-CG 4.41Å; F155-F171 HydrophobicContact CB-CZ 3.2Å; F155-F171 HydrophobicContact CD1-CZ 4.48Å; F155-F171 AromaticContact CD2-CD2 3.96Å; F155-F171 HydrophobicContact CD2-CD2 3.96Å; F155-F171 AromaticContact CD2-CE2 3.21Å; F155-F171 HydrophobicContact CD2-CE2 3.21Å; F155-F171 AromaticContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CE2-CE2 4.04Å; F155-F171 HydrophobicContact CG-CE1 4.32Å; F155-F171 AromaticContact CG-CE2 3.67Å; F155-F171 HydrophobicContact CG-CE2 3.67Å; F155-F171 AromaticContact CG-CZ 3.54Å; F155-F171 HydrophobicContact CG-CZ 3.54Å; F155-F171 PolarHBondContact N-O 3.3Å; F155-F171 PolarHBondContact O-N 2.67Å; V157-F171 HydrophobicContact CG2-CE1 3.79Å; V157-F171 HydrophobicContact CG2-CZ 4.39Å; Y169-F171 HydrophobicContact CD1-CB 4.5Å; Y169-F171 AromaticContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CE1 4.41Å; Y169-F171 HydrophobicContact CD1-CG 4.48Å; Y169-F171 HydrophobicContact CE1-CB 3.83Å; Y169-F171 AromaticContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CG 4.09Å; F171-F196 HydrophobicContact CD2-CE2 4.47Å; F171-F196 AromaticContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CZ 4.24Å; F171-W207 HydrophobicContact CD1-CH2 4.5Å; F171-W207 AromaticContact CD1-CZ3 3.93Å; F171-W207 HydrophobicContact CD1-CZ3 3.93Å; F171-W207 AromaticContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CE1-CE3 4.34Å; F171-W207 HydrophobicContact CE1-CH2 4.13Å; F171-W207 AromaticContact CE1-CZ3 3.43Å; F171-W207 HydrophobicContact CE1-CZ3 3.43Å; F171-W207 VanDerWaalsContact CE1-CZ3 3.43Å; F171-W207 AromaticContact CE2-CE3 3.76Å; F171-W207 HydrophobicContact CE2-CE3 3.76Å; F171-W207 AromaticContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CG-CZ3 4.2Å; F171-W207 AromaticContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CH2 4.28Å; F171-W207 AromaticContact CZ-CZ3 3.2Å; F171-W207 HydrophobicContact CZ-CZ3 3.2Å |
| 172 | T | 91.7 | Very high | 91.5 | Very high | 53 Ų | 53 | 78.7 Ų | 78.7 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 144.1 | 171.5 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | I153 S174 | I153-T172 WeakPolarHBondContact O-CA 3.39Å; I153-T172 WeakPolarHBondContact O-CG2 3.49Å; T172-S174 PolarHBondContact O-N 2.83Å |
| 173 | L | 91.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | trans | -63.9 | 119.7 | 171.4 | -176.3 | 69.3 | 0 | 0 | 0 | 108.5 | H135 F137 I153 F155 A176 L194 F196 | H135-L173 PolarHBondContact NE2-O 3.46Å; F137-L173 HydrophobicContact CZ-CD2 4.48Å; I153-L173 HydrophobicContact CB-CB 3.82Å; I153-L173 HydrophobicContact CB-CD2 4.03Å; I153-L173 HydrophobicContact CD1-CD2 3.66Å; I153-L173 HydrophobicContact CG1-CD2 4.35Å; I153-L173 HydrophobicContact CG2-CB 4.07Å; I153-L173 HydrophobicContact CG2-CD2 4.4Å; I153-L173 PolarHBondContact O-N 2.81Å; F155-L173 HydrophobicContact CE2-CB 4.4Å; F155-L173 HydrophobicContact CE2-CD1 4.45Å; L173-A176 HydrophobicContact CD1-CB 3.83Å; L173-A176 HydrophobicContact CD2-CB 4Å; L173-A176 HydrophobicContact CG-CB 3.9Å; L173-L194 HydrophobicContact CD2-CD1 4.1Å; L173-F196 HydrophobicContact CD1-CB 3.91Å; L173-F196 HydrophobicContact CD1-CD1 3.28Å; L173-F196 HydrophobicContact CD1-CD2 3.56Å; L173-F196 HydrophobicContact CD1-CE1 3.51Å; L173-F196 HydrophobicContact CD1-CE2 3.76Å; L173-F196 HydrophobicContact CD1-CG 3.3Å; L173-F196 HydrophobicContact CD1-CZ 3.73Å | ||
| 174 | S | 85.5 | Confident | 92.3 | Very high | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | trans | -135.4 | 144.9 | 178.2 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | T172 A176 Y199 | T172-S174 PolarHBondContact O-N 2.83Å; S174-A176 PolarHBondContact O-N 2.88Å; S174-Y199 VanDerWaalsContact CB-CZ 3.44Å; S174-Y199 VanDerWaalsContact CB-OH 3.25Å; S174-Y199 WeakPolarHBondContact CB-OH 3.48Å; S174-Y199 WeakPolarHBondContact OG-CE2 3.15Å; S174-Y199 VanDerWaalsContact OG-CZ 3.29Å | ||
| 175 | N | 85.5 | Confident | 92.9 | Very high | 128 Ų | 128 | 64.6 Ų | 64.6 | 68% | 0.684 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 55.7 | 37 | 177.4 | -53.8 | -31.4 | 0 | 0 | 0 | 113.6 | ||
| 176 | A | 93 | Very high | 93.1 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -77.3 | 136.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F137 L173 S174 L194 T195 F196 | F137-A176 HydrophobicContact CE1-CB 4.12Å; F137-A176 HydrophobicContact CZ-CB 3.92Å; L173-A176 HydrophobicContact CD1-CB 3.83Å; L173-A176 HydrophobicContact CD2-CB 4Å; L173-A176 HydrophobicContact CG-CB 3.9Å; S174-A176 PolarHBondContact O-N 2.88Å; A176-L194 HydrophobicContact CB-CB 4.45Å; A176-T195 WeakPolarHBondContact CA-O 3.45Å; A176-F196 HydrophobicContact CB-CB 3.87Å | ||
| 177 | T | 94.6 | Very high | 93.2 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 144.8 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | L194 T195 | T177-L194 WeakPolarHBondContact O-CA 3.45Å; T177-T195 PolarHBondContact N-O 2.75Å; T177-T195 PolarHBondContact O-N 2.78Å; T177-T195 PolarHBondContact OG1-O 2.85Å |
| 178 | I | 96.7 | Very high | 93.3 | Very high | 42 Ų | 42 | 65.6 Ų | 65.6 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.1 | 173.8 | -58.6 | 177.8 | 0 | 0 | 0 | 108.5 | F137 S138 L139 D180 S183 L192 L194 | F137-I178 HydrophobicContact CB-CD1 4.13Å; F137-I178 HydrophobicContact CB-CG1 4.49Å; F137-I178 HydrophobicContact CD1-CD1 4.27Å; F137-I178 HydrophobicContact CD1-CG1 3.86Å; S138-I178 WeakPolarHBondContact O-CD1 3.47Å; L139-I178 HydrophobicContact CD2-CD1 4.14Å; L139-I178 HydrophobicContact CD2-CG2 3.75Å; I178-D180 PolarHBondContact O-N 3.27Å; I178-S183 WeakPolarHBondContact CG2-OG 3.44Å; I178-L192 HydrophobicContact CG1-CD1 4.33Å; I178-L192 HydrophobicContact CG2-CD1 4.35Å; I178-L194 HydrophobicContact CG1-CD2 3.97Å |
| 179 | N | 95.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -89.2 | 95.6 | 168.3 | -178.2 | -8 | 0 | 0 | 0 | 108.1 | N181 E182 S183 S193 | N179-N181 PolarHBondContact O-N 3.12Å; N179-N181 PolarHBondContact OD1-N 3.45Å; N179-E182 HydrophobicContact CB-CB 4.38Å; N179-E182 WeakPolarHBondContact ND2-CG 3.47Å; N179-E182 PolarHBondContact ND2-OE1 2.84Å; N179-E182 PolarHBondContact O-N 3.25Å; N179-E182 VanDerWaalsContact O-N 3.12Å; N179-S183 WeakPolarHBondContact O-CB 3.4Å; N179-S183 PolarHBondContact O-N 3.45Å; N179-S183 PolarHBondContact O-OG 3.31Å; N179-S193 PolarHBondContact N-O 3.07Å | ||
| 180 | D | 92.9 | Very high | 93.7 | Very high | 124 Ų | 124 | 64.5 Ų | 64.5 | 66% | 0.663 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.4 | -175.2 | -64.8 | -37.4 | 0 | 0 | 0 | 113 | I178 E182 | I178-D180 PolarHBondContact O-N 3.27Å; D180-E182 VanDerWaalsContact C-N 3.28Å; D180-E182 PolarHBondContact O-N 3.21Å |
| 181 | N | 94.1 | Very high | 93.9 | Very high | 160 Ų | 160 | 61.5 Ų | 61.5 | 86% | 0.856 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.5 | 178.6 | -66.9 | -17.2 | 0 | 0 | 0 | 112.7 | N179 | N179-N181 PolarHBondContact O-N 3.12Å; N179-N181 PolarHBondContact OD1-N 3.45Å |
| 182 | E | 95.2 | Very high | 94.3 | Very high | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -18.7 | -178.1 | -74.4 | -174.7 | -162 | 0 | 0 | 113.9 | N179 D180 K191 S193 | N179-E182 HydrophobicContact CB-CB 4.38Å; N179-E182 WeakPolarHBondContact ND2-CG 3.47Å; N179-E182 PolarHBondContact ND2-OE1 2.84Å; N179-E182 PolarHBondContact O-N 3.25Å; N179-E182 VanDerWaalsContact O-N 3.12Å; D180-E182 VanDerWaalsContact C-N 3.28Å; D180-E182 PolarHBondContact O-N 3.21Å; E182-K191 VanDerWaalsContact O-CD 3.26Å; E182-K191 WeakPolarHBondContact O-CD 3.31Å; E182-K191 WeakPolarHBondContact O-CE 3.4Å; E182-K191 PolarHBondContact O-NZ 2.93Å; E182-S193 PolarHBondContact OE2-OG 2.77Å |
| 183 | S | 97.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | trans | -85.3 | 132.8 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | I178 N179 K191 S193 | I178-S183 WeakPolarHBondContact CG2-OG 3.44Å; N179-S183 WeakPolarHBondContact O-CB 3.4Å; N179-S183 PolarHBondContact O-N 3.45Å; N179-S183 PolarHBondContact O-OG 3.31Å; S183-K191 CarbonylContact C-O 3.49Å; S183-K191 WeakPolarHBondContact CA-O 3.25Å; S183-S193 PolarHBondContact OG-N 3.16Å; S183-S193 PolarHBondContact OG-O 2.81Å | ||
| 184 | V | 96.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 139.6 | -174.3 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | Y189 T190 K191 | V184-Y189 HydrophobicContact CG1-CD2 4.31Å; V184-Y189 HydrophobicContact CG1-CE2 3.51Å; V184-T190 CarbonylContact O-C 3.47Å; V184-T190 VanDerWaalsContact O-CA 3.28Å; V184-T190 WeakPolarHBondContact O-CA 2.98Å; V184-K191 HydrophobicContact CG1-CB 3.76Å; V184-K191 PolarHBondContact N-O 3.39Å; V184-K191 PolarHBondContact O-N 2.78Å |
| 185 | C | 96.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 59 Ų | 59 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.2 | 165.2 | -72.7 | 0 | 0 | 0 | 0 | 108.7 | C146 | C146-C185 HydrophobicContact CB-CB 3.48Å; C146-C185 VanDerWaalsContact CB-CB 3.48Å; C146-C185 WeakPolarHBondContact CB-SG 3.45Å; C146-C185 WeakPolarHBondContact SG-CB 3.04Å; C146-C185 CovalentContact SG-SG 2.02Å; C146-C185 PolarHBondContact SG-SG 3.41Å |
| 186 | S | 94.7 | Very high | 95.7 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | trans | -117.5 | 177.5 | 171 | 75.2 | 0 | 0 | 0 | 0 | 110.2 | H188 Y189 | S186-H188 VanDerWaalsContact C-N 3.27Å; S186-H188 PolarHBondContact O-N 2.9Å; S186-H188 PolarHBondContact OG-N 2.82Å; S186-Y189 PolarHBondContact N-O 2.88Å; S186-Y189 WeakPolarHBondContact OG-CD1 3.47Å; S186-Y189 WeakPolarHBondContact OG-CE1 3.44Å; S186-Y189 PolarHBondContact OG-N 2.86Å; S186-Y189 PolarHBondContact OG-O 2.86Å | ||
| 187 | E | 93.2 | Very high | 95.5 | Very high | 147 Ų | 147 | 54.5 Ų | 54.5 | 69% | 0.687 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -67.8 | -28.5 | 176.7 | -62.6 | -173.6 | 169.2 | 0 | 0 | 112.9 | R215 | E187-R215 WeakPolarHBondContact O-CD 3.16Š|
| 188 | H | 94.9 | Very high | 94.9 | Very high | 108 Ų | 108 | 50.3 Ų | 50.3 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -107.4 | -26.6 | -172.8 | -59.6 | -58.5 | 0 | 0 | 0 | 114.2 | S186 R215 E217 | S186-H188 VanDerWaalsContact C-N 3.27Å; S186-H188 PolarHBondContact O-N 2.9Å; S186-H188 PolarHBondContact OG-N 2.82Å; H188-R215 PolarHBondContact O-N 2.81Å; H188-E217 IonicContact CE1-OE1 2.78Å |
| 189 | Y | 96.6 | Very high | 93.8 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151.7 | 178.4 | 70 | -84.8 | 0 | 0 | 0 | 111.8 | V184 S186 L212 F213 N214 | V184-Y189 HydrophobicContact CG1-CD2 4.31Å; V184-Y189 HydrophobicContact CG1-CE2 3.51Å; S186-Y189 PolarHBondContact N-O 2.88Å; S186-Y189 WeakPolarHBondContact OG-CD1 3.47Å; S186-Y189 WeakPolarHBondContact OG-CE1 3.44Å; S186-Y189 PolarHBondContact OG-N 2.86Å; S186-Y189 PolarHBondContact OG-O 2.86Å; Y189-L212 HydrophobicContact CD2-CD1 3.93Å; Y189-L212 HydrophobicContact CG-CD1 4.48Å; Y189-F213 CarbonylContact C-O 3.57Å; Y189-F213 WeakPolarHBondContact CA-O 3.38Å; Y189-F213 WeakPolarHBondContact CB-O 3.41Å; Y189-N214 WeakPolarHBondContact CB-OD1 3.19Å |
| 190 | T | 97.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.6 | 169.7 | -63 | 0 | 0 | 0 | 0 | 108.7 | L139 F147 V184 F213 | L139-T190 HydrophobicContact CD1-CG2 4.15Å; F147-T190 HydrophobicContact CB-CG2 3.83Å; F147-T190 HydrophobicContact CD1-CG2 4.4Å; F147-T190 HydrophobicContact CD2-CG2 3.59Å; F147-T190 HydrophobicContact CE2-CG2 4.22Å; F147-T190 HydrophobicContact CG-CG2 3.7Å; V184-T190 CarbonylContact O-C 3.47Å; V184-T190 VanDerWaalsContact O-CA 3.28Å; V184-T190 WeakPolarHBondContact O-CA 2.98Å; T190-F213 PolarHBondContact N-O 3.36Å; T190-F213 PolarHBondContact O-N 3.28Å |
| 191 | K | 97.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.6 | 176.6 | -177.4 | -177.7 | 167.4 | -154.1 | 0 | 108.5 | E182 S183 V184 V210 L211 L212 | E182-K191 VanDerWaalsContact O-CD 3.26Å; E182-K191 WeakPolarHBondContact O-CD 3.31Å; E182-K191 WeakPolarHBondContact O-CE 3.4Å; E182-K191 PolarHBondContact O-NZ 2.93Å; S183-K191 CarbonylContact C-O 3.49Å; S183-K191 WeakPolarHBondContact CA-O 3.25Å; V184-K191 HydrophobicContact CG1-CB 3.76Å; V184-K191 PolarHBondContact N-O 3.39Å; V184-K191 PolarHBondContact O-N 2.78Å; K191-V210 HydrophobicContact CD-CG1 4.11Å; K191-V210 VanDerWaalsContact CE-CG1 3.43Å; K191-V210 HydrophobicContact CG-CG1 3.78Å; K191-L211 WeakPolarHBondContact CA-O 3.5Å; K191-L212 HydrophobicContact CB-CD1 4.1Å |
| 192 | L | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.2 | 168.6 | 176.4 | 66.4 | 0 | 0 | 0 | 108.3 | F137 L139 F147 F149 I178 L194 V210 L211 | F137-L192 HydrophobicContact CB-CD2 4.27Å; L139-L192 HydrophobicContact CD1-CD1 4.32Å; L139-L192 HydrophobicContact CD2-CD1 4.11Å; L139-L192 HydrophobicContact CG-CD1 4.33Å; F147-L192 HydrophobicContact CE1-CB 3.92Å; F147-L192 HydrophobicContact CE1-CD2 3.79Å; F147-L192 HydrophobicContact CE1-CG 4.27Å; F147-L192 HydrophobicContact CZ-CB 4.4Å; F147-L192 HydrophobicContact CZ-CD2 4.46Å; F149-L192 HydrophobicContact CB-CD2 4.18Å; F149-L192 HydrophobicContact CD1-CD2 4.17Å; F149-L192 HydrophobicContact CG-CD2 4.17Å; I178-L192 HydrophobicContact CG1-CD1 4.33Å; I178-L192 HydrophobicContact CG2-CD1 4.35Å; L192-L194 HydrophobicContact CD1-CD2 3.81Å; L192-L194 HydrophobicContact CD1-CG 4.45Å; L192-L194 HydrophobicContact CD2-CD1 4.25Å; L192-L194 HydrophobicContact CD2-CD2 4.09Å; L192-L194 HydrophobicContact CD2-CG 4.13Å; L192-L194 HydrophobicContact CG-CD2 3.97Å; L192-L194 HydrophobicContact CG-CG 4.06Å; L192-V210 WeakPolarHBondContact O-CA 3.42Å; L192-L211 HydrophobicContact CB-CB 4.49Å; L192-L211 HydrophobicContact CD2-CD1 4.35Å; L192-L211 PolarHBondContact N-O 2.81Å; L192-L211 PolarHBondContact O-N 2.77Å |
| 193 | S | 97.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.8 | 172.7 | -173.2 | 0 | 0 | 0 | 0 | 109 | N179 E182 S183 T208 L209 | N179-S193 PolarHBondContact N-O 3.07Å; E182-S193 PolarHBondContact OE2-OG 2.77Å; S183-S193 PolarHBondContact OG-N 3.16Å; S183-S193 PolarHBondContact OG-O 2.81Å; S193-T208 WeakPolarHBondContact OG-CG2 3.37Å; S193-L209 WeakPolarHBondContact CA-O 3.38Å |
| 194 | L | 97.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.3 | 178 | -59.9 | -178.4 | 0 | 0 | 0 | 109.5 | F137 L173 A176 T177 I178 L192 T208 L209 | F137-L194 HydrophobicContact CD1-CD1 4.46Å; F137-L194 HydrophobicContact CD1-CD2 3.52Å; F137-L194 HydrophobicContact CD2-CD1 4.22Å; F137-L194 HydrophobicContact CE1-CD1 4.13Å; F137-L194 HydrophobicContact CE1-CD2 3.64Å; F137-L194 HydrophobicContact CE2-CD1 3.81Å; F137-L194 HydrophobicContact CG-CD1 4.5Å; F137-L194 HydrophobicContact CG-CD2 3.99Å; F137-L194 HydrophobicContact CZ-CD1 3.77Å; F137-L194 HydrophobicContact CZ-CD2 4.17Å; L173-L194 HydrophobicContact CD2-CD1 4.1Å; A176-L194 HydrophobicContact CB-CB 4.45Å; T177-L194 WeakPolarHBondContact O-CA 3.45Å; I178-L194 HydrophobicContact CG1-CD2 3.97Å; L192-L194 HydrophobicContact CD1-CD2 3.81Å; L192-L194 HydrophobicContact CD1-CG 4.45Å; L192-L194 HydrophobicContact CD2-CD1 4.25Å; L192-L194 HydrophobicContact CD2-CD2 4.09Å; L192-L194 HydrophobicContact CD2-CG 4.13Å; L192-L194 HydrophobicContact CG-CD2 3.97Å; L192-L194 HydrophobicContact CG-CG 4.06Å; L194-T208 CarbonylContact O-C 3.5Å; L194-T208 VanDerWaalsContact O-CA 3.25Å; L194-T208 WeakPolarHBondContact O-CA 3.43Å; L194-L209 HydrophobicContact CB-CB 4.41Å; L194-L209 HydrophobicContact CD1-CD2 4.34Å; L194-L209 PolarHBondContact N-O 2.9Å; L194-L209 PolarHBondContact O-N 2.89Å |
| 195 | T | 95.3 | Very high | 87.5 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.7 | 173.2 | -56.1 | 0 | 0 | 0 | 0 | 109.6 | A176 T177 K206 W207 | A176-T195 WeakPolarHBondContact CA-O 3.45Å; T177-T195 PolarHBondContact N-O 2.75Å; T177-T195 PolarHBondContact O-N 2.78Å; T177-T195 PolarHBondContact OG1-O 2.85Å; T195-K206 HydrophobicContact CG2-CB 3.57Å; T195-K206 HydrophobicContact CG2-CD 3.67Å; T195-K206 HydrophobicContact CG2-CG 4.1Å; T195-W207 CarbonylContact C-O 3.55Å; T195-W207 WeakPolarHBondContact CA-O 3.32Å |
| 196 | F | 93.5 | Very high | 87.3 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.022 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 162 | -177.9 | 61 | -82.9 | 0 | 0 | 0 | 111.5 | F155 F171 L173 A176 W207 L209 L239 | F155-F196 HydrophobicContact CE2-CZ 4.11Å; F171-F196 HydrophobicContact CD2-CE2 4.47Å; F171-F196 AromaticContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CZ 4.24Å; L173-F196 HydrophobicContact CD1-CB 3.91Å; L173-F196 HydrophobicContact CD1-CD1 3.28Å; L173-F196 HydrophobicContact CD1-CD2 3.56Å; L173-F196 HydrophobicContact CD1-CE1 3.51Å; L173-F196 HydrophobicContact CD1-CE2 3.76Å; L173-F196 HydrophobicContact CD1-CG 3.3Å; L173-F196 HydrophobicContact CD1-CZ 3.73Å; A176-F196 HydrophobicContact CB-CB 3.87Å; F196-W207 HydrophobicContact CD1-CB 4.48Å; F196-W207 HydrophobicContact CD2-CB 4.24Å; F196-W207 HydrophobicContact CE1-CB 4.12Å; F196-W207 HydrophobicContact CE2-CB 3.88Å; F196-W207 HydrophobicContact CE2-CD2 4.42Å; F196-W207 AromaticContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CZ-CB 3.82Å; F196-W207 HydrophobicContact CZ-CE3 4.21Å; F196-W207 PolarHBondContact N-O 2.97Å; F196-W207 PolarHBondContact O-N 2.92Å; F196-L209 HydrophobicContact CE1-CB 3.99Å; F196-L239 HydrophobicContact CE1-CD1 4.3Å; F196-L239 HydrophobicContact CZ-CD1 3.89Å |
| 197 | I | 88.6 | Confident | 87.2 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | trans | -115.6 | 122 | 178.1 | -59.3 | 168 | 0 | 0 | 0 | 107.1 | R201 E203 K206 | I197-R201 HydrophobicContact CG2-CB 3.84Å; I197-E203 HydrophobicContact CD1-CB 4.32Å; I197-E203 HydrophobicContact CD1-CG 4.01Å; I197-K206 HydrophobicContact CD1-CG 4.48Å; I197-K206 HydrophobicContact CG1-CG 4.03Å | ||
| 198 | P | 81.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | trans | -63.2 | 145.4 | 174.2 | 30.1 | -37.5 | 0 | 0 | 0 | 110 | G200 R201 W207 L247 | P198-G200 PolarHBondContact O-N 2.8Å; P198-R201 HydrophobicContact CG-CB 4.4Å; P198-R201 HydrophobicContact CG-CG 3.94Å; P198-R201 PolarHBondContact O-N 3.37Å; P198-W207 HydrophobicContact CB-CD2 4.4Å; P198-W207 HydrophobicContact CB-CE3 4.1Å; P198-W207 HydrophobicContact CB-CH2 3.9Å; P198-W207 HydrophobicContact CB-CZ2 4.22Å; P198-W207 HydrophobicContact CB-CZ3 3.78Å; P198-W207 HydrophobicContact CG-CD2 3.88Å; P198-W207 HydrophobicContact CG-CE3 4.1Å; P198-W207 HydrophobicContact CG-CH2 3.89Å; P198-W207 HydrophobicContact CG-CZ2 3.67Å; P198-W207 HydrophobicContact CG-CZ3 4.04Å; P198-L247 HydrophobicContact CB-CD1 4.09Å; P198-L247 HydrophobicContact CG-CD1 3.8Å | ||
| 199 | Y | 73.5 | Confident | 87.5 | Confident | 151 Ų | 151 | 53.3 Ų | 53.3 | 59% | 0.592 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | 131.2 | -176 | -76.6 | -76.9 | 0 | 0 | 0 | 113.6 | S174 | S174-Y199 VanDerWaalsContact CB-CZ 3.44Å; S174-Y199 VanDerWaalsContact CB-OH 3.25Å; S174-Y199 WeakPolarHBondContact CB-OH 3.48Å; S174-Y199 WeakPolarHBondContact OG-CE2 3.15Å; S174-Y199 VanDerWaalsContact OG-CZ 3.29Å |
| 200 | G | 63.2 | Low | 87.5 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 74% | 0.742 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 28 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | P198 | P198-G200 PolarHBondContact O-N 2.8Š|
| 201 | R | 69.7 | Low | 87.6 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 25% | 0.249 | 25% | 0.251 | C | S | . | . | trans | -123.1 | 159.2 | -178.1 | -63.7 | -63.7 | 169.9 | -134.3 | -11.6 | 114.7 | I197 P198 D244 N246 L247 | I197-R201 HydrophobicContact CG2-CB 3.84Å; P198-R201 HydrophobicContact CG-CB 4.4Å; P198-R201 HydrophobicContact CG-CG 3.94Å; P198-R201 PolarHBondContact O-N 3.37Å; R201-D244 IonicContact CZ-OD1 3.56Å; R201-D244 IonicContact NE-OD1 3.62Å; R201-D244 IonicContact NE-OD2 3.88Å; R201-D244 IonicContact NH1-OD1 3.78Å; R201-D244 IonicContact NH2-OD1 3.99Å; R201-N246 PolarHBondContact NH1-ND2 2.88Å; R201-N246 VanDerWaalsContact NH2-C 3.26Å; R201-N246 PolarHBondContact NH2-O 2.94Å; R201-L247 HydrophobicContact CG-CD1 4.27Å; R201-L247 VanDerWaalsContact NE-CG 3.34Å; R201-L247 VanDerWaalsContact NH2-CG 3.26Å | ||
| 202 | N | 67.6 | Low | 87.6 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 65% | 0.647 | 25% | 0.251 | S | S | * | . | trans | -72.8 | 151.9 | 175.8 | -59.6 | -19.4 | 0 | 0 | 0 | 110.6 | E204 | N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.1Å | ||
| 203 | E | 75.1 | Confident | 87.5 | Confident | 149 Ų | 149 | 49.3 Ų | 49.3 | 70% | 0.696 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.2 | -178.9 | -59.2 | -170.4 | 170.4 | 0 | 0 | 114.4 | I197 H205 K206 | I197-E203 HydrophobicContact CD1-CB 4.32Å; I197-E203 HydrophobicContact CD1-CG 4.01Å; E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 2.91Å; E203-K206 WeakPolarHBondContact O-CE 3.44Å; E203-K206 WeakPolarHBondContact O-CG 3.32Å |
| 204 | E | 80 | Confident | 87.5 | Confident | 153 Ų | 153 | 51.5 Ų | 51.5 | 72% | 0.715 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -20 | -177.8 | -65.7 | -174.2 | 172.2 | 0 | 0 | 114 | N202 | N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.1Å |
| 205 | H | 86 | Confident | 87.4 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -123.6 | 55.4 | -171.9 | -61.3 | -29.4 | 0 | 0 | 0 | 112 | E203 W207 Y242 | E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 2.91Å; H205-W207 VanDerWaalsContact O-CD1 3.22Å; H205-Y242 HydrophobicContact CB-CD1 3.81Å; H205-Y242 HydrophobicContact CB-CE1 4.49Å; H205-Y242 HydrophobicContact CB-CG 3.93Å; H205-Y242 AromaticContact CD2-CD1 3.44Å; H205-Y242 VanDerWaalsContact CD2-CD1 3.44Å; H205-Y242 WeakPolarHBondContact CD2-CD1 3.44Å; H205-Y242 AromaticContact CD2-CE1 3.26Å; H205-Y242 WeakPolarHBondContact CD2-CE1 3.2Å; H205-Y242 AromaticContact CD2-CZ 3.91Å; H205-Y242 AromaticContact CE1-CE1 3.92Å; H205-Y242 AromaticContact CE1-CZ 3.76Å; H205-Y242 AromaticContact CG-CD1 3.51Å; H205-Y242 AromaticContact CG-CE1 3.72Å; H205-Y242 AromaticContact CG-CG 3.85Å; H205-Y242 AromaticContact NE2-CE1 3.4Å; H205-Y242 WeakPolarHBondContact NE2-CE1 3.33Å; H205-Y242 AromaticContact NE2-CZ 3.6Å |
| 206 | K | 90.6 | Very high | 87.3 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | trans | -63.3 | 140.7 | 176.9 | -60.5 | -178 | -178.2 | -179.2 | 0 | 110.8 | T195 I197 E203 | T195-K206 HydrophobicContact CG2-CB 3.57Å; T195-K206 HydrophobicContact CG2-CD 3.67Å; T195-K206 HydrophobicContact CG2-CG 4.1Å; I197-K206 HydrophobicContact CD1-CG 4.48Å; I197-K206 HydrophobicContact CG1-CG 4.03Å; E203-K206 WeakPolarHBondContact O-CE 3.44Å; E203-K206 WeakPolarHBondContact O-CG 3.32Å | ||
| 207 | W | 93.9 | Very high | 87 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 151 | 174.9 | -64.6 | 4.8 | 0 | 0 | 0 | 109.2 | F171 T195 F196 P198 H205 T240 L247 F248 | F171-W207 HydrophobicContact CD1-CH2 4.5Å; F171-W207 AromaticContact CD1-CZ3 3.93Å; F171-W207 HydrophobicContact CD1-CZ3 3.93Å; F171-W207 AromaticContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CE1-CE3 4.34Å; F171-W207 HydrophobicContact CE1-CH2 4.13Å; F171-W207 AromaticContact CE1-CZ3 3.43Å; F171-W207 HydrophobicContact CE1-CZ3 3.43Å; F171-W207 VanDerWaalsContact CE1-CZ3 3.43Å; F171-W207 AromaticContact CE2-CE3 3.76Å; F171-W207 HydrophobicContact CE2-CE3 3.76Å; F171-W207 AromaticContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CG-CZ3 4.2Å; F171-W207 AromaticContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CH2 4.28Å; F171-W207 AromaticContact CZ-CZ3 3.2Å; F171-W207 HydrophobicContact CZ-CZ3 3.2Å; T195-W207 CarbonylContact C-O 3.55Å; T195-W207 WeakPolarHBondContact CA-O 3.32Å; F196-W207 HydrophobicContact CD1-CB 4.48Å; F196-W207 HydrophobicContact CD2-CB 4.24Å; F196-W207 HydrophobicContact CE1-CB 4.12Å; F196-W207 HydrophobicContact CE2-CB 3.88Å; F196-W207 HydrophobicContact CE2-CD2 4.42Å; F196-W207 AromaticContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CZ-CB 3.82Å; F196-W207 HydrophobicContact CZ-CE3 4.21Å; F196-W207 PolarHBondContact N-O 2.97Å; F196-W207 PolarHBondContact O-N 2.92Å; P198-W207 HydrophobicContact CB-CD2 4.4Å; P198-W207 HydrophobicContact CB-CE3 4.1Å; P198-W207 HydrophobicContact CB-CH2 3.9Å; P198-W207 HydrophobicContact CB-CZ2 4.22Å; P198-W207 HydrophobicContact CB-CZ3 3.78Å; P198-W207 HydrophobicContact CG-CD2 3.88Å; P198-W207 HydrophobicContact CG-CE3 4.1Å; P198-W207 HydrophobicContact CG-CH2 3.89Å; P198-W207 HydrophobicContact CG-CZ2 3.67Å; P198-W207 HydrophobicContact CG-CZ3 4.04Å; H205-W207 VanDerWaalsContact O-CD1 3.22Å; W207-T240 WeakPolarHBondContact CA-O 3.35Å; W207-L247 HydrophobicContact CH2-CD1 3.71Å; W207-L247 HydrophobicContact CZ2-CD1 3.57Å; W207-F248 HydrophobicContact CH2-CE2 4.1Å; W207-F248 AromaticContact CH2-CZ 3.97Å; W207-F248 HydrophobicContact CH2-CZ 3.97Å; W207-F248 AromaticContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CZ 4.27Å |
| 208 | T | 95.9 | Very high | 86.7 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.2 | -177 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | S193 L194 V210 L239 T240 | S193-T208 WeakPolarHBondContact OG-CG2 3.37Å; L194-T208 CarbonylContact O-C 3.5Å; L194-T208 VanDerWaalsContact O-CA 3.25Å; L194-T208 WeakPolarHBondContact O-CA 3.43Å; T208-V210 HydrophobicContact CG2-CG2 3.95Å; T208-L239 WeakPolarHBondContact O-CA 3.5Å; T208-T240 PolarHBondContact N-O 3.27Å; T208-T240 PolarHBondContact O-N 2.02Å |
| 209 | L | 97.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.6 | 168.7 | 174.7 | 68.1 | 0 | 0 | 0 | 108.7 | I153 F155 S193 L194 F196 L211 I237 T238 | I153-L209 HydrophobicContact CD1-CD2 4.06Å; F155-L209 HydrophobicContact CE1-CD1 4.09Å; F155-L209 HydrophobicContact CZ-CD1 3.88Å; F155-L209 HydrophobicContact CZ-CD2 3.92Å; F155-L209 HydrophobicContact CZ-CG 4.31Å; S193-L209 WeakPolarHBondContact CA-O 3.38Å; L194-L209 HydrophobicContact CB-CB 4.41Å; L194-L209 HydrophobicContact CD1-CD2 4.34Å; L194-L209 PolarHBondContact N-O 2.9Å; L194-L209 PolarHBondContact O-N 2.89Å; F196-L209 HydrophobicContact CE1-CB 3.99Å; L209-L211 HydrophobicContact CD1-CD2 4.2Å; L209-L211 HydrophobicContact CD2-CD2 4.4Å; L209-L211 HydrophobicContact CD2-CG 4.48Å; L209-L211 HydrophobicContact CG-CD2 4.28Å; L209-L211 HydrophobicContact CG-CG 4.41Å; L209-I237 HydrophobicContact CD1-CG2 4.01Å; L209-T238 CarbonylContact C-O 3.51Å; L209-T238 WeakPolarHBondContact CA-O 3.3Å |
| 210 | V | 97.8 | Very high | 86 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.8 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | K191 L192 T208 I237 T238 | K191-V210 HydrophobicContact CD-CG1 4.11Å; K191-V210 VanDerWaalsContact CE-CG1 3.43Å; K191-V210 HydrophobicContact CG-CG1 3.78Å; L192-V210 WeakPolarHBondContact O-CA 3.42Å; T208-V210 HydrophobicContact CG2-CG2 3.95Å; V210-I237 WeakPolarHBondContact O-CA 3.26Å; V210-T238 PolarHBondContact N-O 3.13Å; V210-T238 PolarHBondContact O-N 3.34Å |
| 211 | L | 97.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.2 | 171.3 | -54.3 | 177.4 | 0 | 0 | 0 | 108.6 | F149 K191 L192 L209 F213 L234 I237 | F149-L211 HydrophobicContact CD2-CD1 4.1Å; F149-L211 HydrophobicContact CE1-CD1 4.3Å; F149-L211 HydrophobicContact CE2-CD1 3.55Å; F149-L211 HydrophobicContact CZ-CD1 3.67Å; K191-L211 WeakPolarHBondContact CA-O 3.5Å; L192-L211 HydrophobicContact CB-CB 4.49Å; L192-L211 HydrophobicContact CD2-CD1 4.35Å; L192-L211 PolarHBondContact N-O 2.81Å; L192-L211 PolarHBondContact O-N 2.77Å; L209-L211 HydrophobicContact CD1-CD2 4.2Å; L209-L211 HydrophobicContact CD2-CD2 4.4Å; L209-L211 HydrophobicContact CD2-CG 4.48Å; L209-L211 HydrophobicContact CG-CD2 4.28Å; L209-L211 HydrophobicContact CG-CG 4.41Å; L211-F213 HydrophobicContact CB-CE2 3.73Å; L211-F213 HydrophobicContact CB-CZ 4.41Å; L211-L234 HydrophobicContact CB-CD1 4.21Å; L211-I237 HydrophobicContact CD2-CB 4.31Å; L211-I237 HydrophobicContact CD2-CD1 4.24Å; L211-I237 HydrophobicContact CD2-CG1 3.85Å; L211-I237 HydrophobicContact CD2-CG2 3.89Å |
| 212 | L | 97.8 | Very high | 85.5 | Confident | 46 Ų | 46 | 73.1 Ų | 73.1 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.2 | 179.1 | -177.5 | 65.9 | 0 | 0 | 0 | 110.6 | Y189 K191 D235 S236 | Y189-L212 HydrophobicContact CD2-CD1 3.93Å; Y189-L212 HydrophobicContact CG-CD1 4.48Å; K191-L212 HydrophobicContact CB-CD1 4.1Å; L212-D235 PolarHBondContact O-N 2.89Å; L212-S236 PolarHBondContact N-O 2.87Å; L212-S236 PolarHBondContact O-N 2.93Å |
| 213 | F | 97.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.2 | 175.8 | -60.5 | -99.7 | 0 | 0 | 0 | 109.5 | F147 F149 Y189 T190 L211 Y232 T233 L234 F267 V304 F307 | F147-F213 HydrophobicContact CE2-CD1 4.38Å; F147-F213 AromaticContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CE1 4.19Å; F147-F213 AromaticContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CG 4.13Å; F147-F213 AromaticContact CE2-CZ 3.78Å; F147-F213 HydrophobicContact CE2-CZ 3.78Å; F147-F213 AromaticContact CZ-CD2 3.96Å; F147-F213 HydrophobicContact CZ-CD2 3.96Å; F147-F213 AromaticContact CZ-CE2 3.36Å; F147-F213 HydrophobicContact CZ-CE2 3.36Å; F147-F213 AromaticContact CZ-CZ 3.71Å; F147-F213 HydrophobicContact CZ-CZ 3.71Å; F149-F213 HydrophobicContact CD2-CZ 4.38Å; Y189-F213 CarbonylContact C-O 3.57Å; Y189-F213 WeakPolarHBondContact CA-O 3.38Å; Y189-F213 WeakPolarHBondContact CB-O 3.41Å; T190-F213 PolarHBondContact N-O 3.36Å; T190-F213 PolarHBondContact O-N 3.28Å; L211-F213 HydrophobicContact CB-CE2 3.73Å; L211-F213 HydrophobicContact CB-CZ 4.41Å; F213-Y232 HydrophobicContact CD1-CD2 4.33Å; F213-T233 CarbonylContact C-O 3.09Å; F213-T233 WeakPolarHBondContact CA-O 3.25Å; F213-L234 HydrophobicContact CD1-CB 4.08Å; F213-L234 HydrophobicContact CD1-CD1 4.31Å; F213-L234 HydrophobicContact CD2-CD1 4.4Å; F213-L234 HydrophobicContact CE1-CB 3.9Å; F213-L234 HydrophobicContact CE1-CD1 4.01Å; F213-L234 HydrophobicContact CE1-CD2 4.49Å; F213-L234 HydrophobicContact CE1-CG 4.35Å; F213-L234 HydrophobicContact CE2-CD1 4.07Å; F213-L234 HydrophobicContact CG-CD1 4.5Å; F213-L234 HydrophobicContact CZ-CD1 3.86Å; F213-L234 HydrophobicContact CZ-CD2 4.48Å; F213-F267 HydrophobicContact CE1-CE2 4.17Å; F213-F267 AromaticContact CE1-CZ 3.83Å; F213-F267 HydrophobicContact CE1-CZ 3.83Å; F213-V304 HydrophobicContact CE1-CG2 3.68Å; F213-V304 HydrophobicContact CZ-CG2 3.81Å; F213-F307 HydrophobicContact CB-CE2 4.29Å |
| 214 | N | 97 | Very high | 84.4 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 144.3 | 175.3 | -68.3 | -36.6 | 0 | 0 | 0 | 109.9 | Y189 Y232 T233 D235 | Y189-N214 WeakPolarHBondContact CB-OD1 3.19Å; N214-Y232 CarbonylContact O-C 3.55Å; N214-Y232 WeakPolarHBondContact O-CA 3.49Å; N214-T233 PolarHBondContact N-O 2.88Å; N214-T233 PolarHBondContact O-N 2.9Å; N214-T233 PolarHBondContact O-OG1 2.97Å; N214-D235 WeakPolarHBondContact CB-OD2 3.39Å; N214-D235 PolarHBondContact ND2-OD2 2.96Å |
| 215 | R | 95.7 | Very high | 83.4 | Confident | 83 Ų | 83 | 71 Ų | 71 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.3 | 171.8 | -176.2 | -176.6 | 178 | 178.2 | -1 | 108.4 | E187 H188 S230 I231 V271 F307 | E187-R215 WeakPolarHBondContact O-CD 3.16Å; H188-R215 PolarHBondContact O-N 2.81Å; R215-S230 PolarHBondContact NE-OG 2.88Å; R215-S230 PolarHBondContact NH2-OG 2.75Å; R215-S230 VanDerWaalsContact NH2-OG 3.15Å; R215-I231 CarbonylContact C-O 3.57Å; R215-I231 WeakPolarHBondContact CA-O 3.34Å; R215-V271 HydrophobicContact CG-CG2 4.17Å; R215-F307 HydrophobicContact CB-CD1 4.1Å; R215-F307 HydrophobicContact CB-CD2 4.21Å; R215-F307 HydrophobicContact CB-CE1 3.74Å; R215-F307 HydrophobicContact CB-CE2 3.89Å; R215-F307 HydrophobicContact CB-CG 4.31Å; R215-F307 HydrophobicContact CB-CZ 3.63Å |
| 216 | M | 92.2 | Very high | 82.2 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 51% | 0.507 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.4 | 171 | -55.5 | 176.1 | 65.2 | 0 | 0 | 108.7 | S230 I231 T233 | M216-S230 WeakPolarHBondContact O-CA 3.48Å; M216-S230 WeakPolarHBondContact O-CB 3.46Å; M216-I231 HydrophobicContact CB-CD1 4.27Å; M216-I231 HydrophobicContact CB-CG1 3.73Å; M216-I231 HydrophobicContact CG-CG1 4.36Å; M216-I231 PolarHBondContact N-O 2.78Å; M216-I231 PolarHBondContact O-N 3.36Å; M216-I231 HydrophobicContact SD-CD1 4Å; M216-I231 HydrophobicContact SD-CG1 4.35Å; M216-T233 HydrophobicContact SD-CG2 4.33Å |
| 217 | E | 87.5 | Confident | 80.8 | Confident | 118 Ų | 118 | 75.8 Ų | 75.8 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 146.9 | 171.3 | -73.1 | -175.2 | -162 | 0 | 0 | 110.5 | H188 N219 | H188-E217 IonicContact CE1-OE1 2.78Å; E217-N219 PolarHBondContact O-N 3.33Å |
| 218 | P | 82.4 | Confident | 79.6 | Confident | 33 Ų | 33 | 79.5 Ų | 79.5 | 21% | 0.214 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 132.8 | 173.7 | 28.9 | -36.1 | 0 | 0 | 0 | 109.2 | K220 V228 | P218-K220 PolarHBondContact O-N 3.43Å; P218-V228 HydrophobicContact CB-CB 3.69Å; P218-V228 HydrophobicContact CB-CG1 3.6Å; P218-V228 VanDerWaalsContact CB-O 3.26Å; P218-V228 WeakPolarHBondContact CB-O 3.32Å; P218-V228 VanDerWaalsContact CG-O 3.28Å; P218-V228 WeakPolarHBondContact CG-O 3.45Å |
| 219 | N | 72.5 | Confident | 78.9 | Confident | 123 Ų | 123 | 81 Ų | 81 | 66% | 0.658 | 45% | 0.448 | S | S | * | . | trans | -68 | 102.6 | 174 | -167.1 | -1.9 | 0 | 0 | 0 | 108 | E217 T221 | E217-N219 PolarHBondContact O-N 3.33Å; N219-T221 PolarHBondContact ND2-OG1 2.78Å; N219-T221 VanDerWaalsContact ND2-OG1 3.09Å; N219-T221 PolarHBondContact O-N 2.82Å; N219-T221 VanDerWaalsContact OD1-CG2 3.22Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.32Å; N219-T221 PolarHBondContact OD1-OG1 2.89Å | ||
| 220 | K | 67.7 | Low | 78.6 | Confident | 180 Ų | 180 | 81.7 Ų | 81.7 | 78% | 0.783 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 19.7 | -176.9 | -64 | -179.3 | -179.5 | 170.7 | 0 | 113.7 | P218 | P218-K220 PolarHBondContact O-N 3.43Š|
| 221 | T | 64.9 | Low | 78.4 | Confident | 111 Ų | 111 | 83.1 Ų | 83.1 | 68% | 0.681 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.5 | -173 | 45.1 | 0 | 0 | 0 | 0 | 114.1 | N219 | N219-T221 PolarHBondContact ND2-OG1 2.78Å; N219-T221 VanDerWaalsContact ND2-OG1 3.09Å; N219-T221 PolarHBondContact O-N 2.82Å; N219-T221 VanDerWaalsContact OD1-CG2 3.22Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.32Å; N219-T221 PolarHBondContact OD1-OG1 2.89Å |
| 222 | S | 57.3 | Low | 78.3 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 46% | 0.462 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -92.5 | 128.1 | 165.3 | 64.5 | 0 | 0 | 0 | 0 | 109.8 | D224 | S222-D224 PolarHBondContact O-N 3.39Š|
| 223 | N | 60 | Low | 78.3 | Confident | 181 Ų | 181 | 81 Ų | 81 | 97% | 0.968 | 45% | 0.448 | S | S | * | . | trans | -66.1 | 19.5 | 164.5 | -70.5 | -52.1 | 0 | 0 | 0 | 112.3 | A225 | N223-A225 PolarHBondContact O-N 3.03Š| ||
| 224 | D | 60.1 | Low | 78.2 | Confident | 100 Ų | 100 | 81 Ų | 81 | 54% | 0.535 | 45% | 0.448 | S | S | . | . | trans | -83.2 | 113.3 | 179.7 | -166.4 | 24 | 0 | 0 | 0 | 107.3 | S222 T226 | S222-D224 PolarHBondContact O-N 3.39Å; D224-T226 PolarHBondContact O-N 2.98Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.49Å; D224-T226 PolarHBondContact OD2-OG1 2.77Å | ||
| 225 | A | 58.2 | Low | 78 | Confident | 98 Ų | 98 | 80.5 Ų | 80.5 | 81% | 0.81 | 45% | 0.446 | S | S | * | . | trans | -69.8 | 19.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N223 | N223-A225 PolarHBondContact O-N 3.03Š| ||
| 226 | T | 61.8 | Low | 78 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -75.1 | 123.5 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | D224 V228 | D224-T226 PolarHBondContact O-N 2.98Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.49Å; D224-T226 PolarHBondContact OD2-OG1 2.77Å; T226-V228 WeakPolarHBondContact O-CG2 3.36Å; T226-V228 PolarHBondContact O-N 2.82Å |
| 227 | N | 61.3 | Low | 78.3 | Confident | 168 Ų | 168 | 72.6 Ų | 72.6 | 90% | 0.898 | 41% | 0.413 | S | S | * | . | trans | -64 | 80.8 | 178.2 | -74.3 | -53.4 | 0 | 0 | 0 | 109.9 | S229 | N227-S229 PolarHBondContact O-N 3.32Š| ||
| 228 | V | 67.5 | Low | 78.7 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | trans | -70.9 | 102.2 | 175.6 | -170.5 | 0 | 0 | 0 | 0 | 107 | P218 T226 | P218-V228 HydrophobicContact CB-CB 3.69Å; P218-V228 HydrophobicContact CB-CG1 3.6Å; P218-V228 VanDerWaalsContact CB-O 3.26Å; P218-V228 WeakPolarHBondContact CB-O 3.32Å; P218-V228 VanDerWaalsContact CG-O 3.28Å; P218-V228 WeakPolarHBondContact CG-O 3.45Å; T226-V228 WeakPolarHBondContact O-CG2 3.36Å; T226-V228 PolarHBondContact O-N 2.82Å | ||
| 229 | S | 81.8 | Confident | 79.4 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -63.9 | 144.4 | 172.5 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | N227 | N227-S229 PolarHBondContact O-N 3.32Š| ||
| 230 | S | 90.9 | Very high | 80.5 | Confident | 16 Ų | 16 | 63 Ų | 63 | 11% | 0.112 | 37% | 0.367 | C | S | . | . | trans | -51.5 | 148.1 | 166.2 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | R215 M216 V271 | R215-S230 PolarHBondContact NE-OG 2.88Å; R215-S230 PolarHBondContact NH2-OG 2.75Å; R215-S230 VanDerWaalsContact NH2-OG 3.15Å; M216-S230 WeakPolarHBondContact O-CA 3.48Å; M216-S230 WeakPolarHBondContact O-CB 3.46Å; S230-V271 WeakPolarHBondContact O-CB 3.44Å; S230-V271 WeakPolarHBondContact O-CG2 2.99Å; S230-V271 PolarHBondContact O-N 2.79Å | ||
| 231 | I | 94.4 | Very high | 81.8 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153.1 | 173.3 | 62.7 | 176.4 | 0 | 0 | 0 | 109.2 | R215 M216 I269 | R215-I231 CarbonylContact C-O 3.57Å; R215-I231 WeakPolarHBondContact CA-O 3.34Å; M216-I231 HydrophobicContact CB-CD1 4.27Å; M216-I231 HydrophobicContact CB-CG1 3.73Å; M216-I231 HydrophobicContact CG-CG1 4.36Å; M216-I231 PolarHBondContact N-O 2.78Å; M216-I231 PolarHBondContact O-N 3.36Å; M216-I231 HydrophobicContact SD-CD1 4Å; M216-I231 HydrophobicContact SD-CG1 4.35Å; I231-I269 CarbonylContact C-O 3.47Å; I231-I269 VanDerWaalsContact CA-O 3.28Å; I231-I269 WeakPolarHBondContact CA-O 3.35Å |
| 232 | Y | 96.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.7 | 166.4 | 70.6 | -89.9 | 0 | 0 | 0 | 111.5 | F213 N214 F267 R268 I269 V271 S273 V304 A306 F307 | F213-Y232 HydrophobicContact CD1-CD2 4.33Å; N214-Y232 CarbonylContact O-C 3.55Å; N214-Y232 WeakPolarHBondContact O-CA 3.49Å; Y232-F267 HydrophobicContact CE2-CE2 4.26Å; Y232-R268 CarbonylContact O-C 3.52Å; Y232-R268 WeakPolarHBondContact O-CA 3.4Å; Y232-I269 HydrophobicContact CD1-CB 4.14Å; Y232-I269 HydrophobicContact CD1-CG2 4.49Å; Y232-I269 VanDerWaalsContact CD1-O 3.31Å; Y232-I269 WeakPolarHBondContact CD1-O 3.27Å; Y232-I269 HydrophobicContact CD2-CB 4.48Å; Y232-I269 HydrophobicContact CE1-CB 3.59Å; Y232-I269 HydrophobicContact CE1-CG2 3.59Å; Y232-I269 HydrophobicContact CE2-CB 3.99Å; Y232-I269 HydrophobicContact CE2-CG1 4.23Å; Y232-I269 PolarHBondContact N-O 2.8Å; Y232-I269 PolarHBondContact O-N 3.29Å; Y232-I269 WeakPolarHBondContact OH-CG2 3.02Å; Y232-V271 HydrophobicContact CD1-CG2 4.07Å; Y232-S273 PolarHBondContact OH-O 2.83Å; Y232-S273 VanDerWaalsContact OH-O 3.13Å; Y232-V304 PolarHBondContact OH-O 3.37Å; Y232-A306 HydrophobicContact CD2-CB 3.86Å; Y232-A306 HydrophobicContact CE2-CB 3.98Å; Y232-A306 HydrophobicContact CG-CB 4.2Å; Y232-F307 VanDerWaalsContact CB-CE2 3.5Å; Y232-F307 HydrophobicContact CD1-CD2 4.49Å; Y232-F307 HydrophobicContact CG-CD2 4.09Å; Y232-F307 HydrophobicContact CG-CE2 4.26Å |
| 233 | T | 96.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.1 | -175.2 | 56.3 | 0 | 0 | 0 | 0 | 110.3 | F213 N214 M216 D235 M265 F267 R268 | F213-T233 CarbonylContact C-O 3.09Å; F213-T233 WeakPolarHBondContact CA-O 3.25Å; N214-T233 PolarHBondContact N-O 2.88Å; N214-T233 PolarHBondContact O-N 2.9Å; N214-T233 PolarHBondContact O-OG1 2.97Å; M216-T233 HydrophobicContact SD-CG2 4.33Å; T233-D235 WeakPolarHBondContact CB-OD1 3.36Å; T233-D235 PolarHBondContact OG1-OD1 2.9Å; T233-D235 PolarHBondContact OG1-OD2 2.9Å; T233-M265 HydrophobicContact CG2-CG 4.18Å; T233-M265 HydrophobicContact CG2-SD 3.59Å; T233-M265 VanDerWaalsContact CG2-SD 3.59Å; T233-F267 WeakPolarHBondContact CA-O 3.13Å; T233-R268 HydrophobicContact CG2-CB 3.85Å |
| 234 | L | 96.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 102.9 | 165.7 | 173.5 | 57.7 | 0 | 0 | 0 | 108 | L211 F213 I237 M265 V266 F267 | L211-L234 HydrophobicContact CB-CD1 4.21Å; F213-L234 HydrophobicContact CD1-CB 4.08Å; F213-L234 HydrophobicContact CD1-CD1 4.31Å; F213-L234 HydrophobicContact CD2-CD1 4.4Å; F213-L234 HydrophobicContact CE1-CB 3.9Å; F213-L234 HydrophobicContact CE1-CD1 4.01Å; F213-L234 HydrophobicContact CE1-CD2 4.49Å; F213-L234 HydrophobicContact CE1-CG 4.35Å; F213-L234 HydrophobicContact CE2-CD1 4.07Å; F213-L234 HydrophobicContact CG-CD1 4.5Å; F213-L234 HydrophobicContact CZ-CD1 3.86Å; F213-L234 HydrophobicContact CZ-CD2 4.48Å; L234-I237 HydrophobicContact CD1-CG1 4.17Å; L234-I237 HydrophobicContact CD2-CD1 4.01Å; L234-I237 HydrophobicContact CD2-CG1 4.39Å; L234-I237 HydrophobicContact CG-CD1 4.41Å; L234-I237 HydrophobicContact CG-CG1 4.33Å; L234-M265 WeakPolarHBondContact O-CA 3.44Å; L234-V266 HydrophobicContact CB-CB 4.2Å; L234-V266 HydrophobicContact CB-CG2 4.44Å; L234-V266 HydrophobicContact CD2-CB 4.05Å; L234-V266 HydrophobicContact CD2-CG1 4.43Å; L234-V266 HydrophobicContact CD2-CG2 3.94Å; L234-V266 HydrophobicContact CG-CB 4.17Å; L234-V266 HydrophobicContact CG-CG2 3.93Å; L234-V266 PolarHBondContact O-N 2.94Å; L234-F267 HydrophobicContact CB-CD1 4.39Å; L234-F267 HydrophobicContact CB-CD2 4.42Å; L234-F267 HydrophobicContact CB-CE1 3.83Å; L234-F267 HydrophobicContact CB-CE2 3.86Å; L234-F267 HydrophobicContact CB-CZ 3.53Å; L234-F267 HydrophobicContact CD2-CE1 3.61Å; L234-F267 HydrophobicContact CD2-CZ 3.85Å; L234-F267 HydrophobicContact CG-CE1 4.38Å; L234-F267 HydrophobicContact CG-CZ 4.34Å; L234-F267 PolarHBondContact N-O 3.24Å |
| 235 | D | 93.2 | Very high | 87.5 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -34.3 | -167.4 | -75.6 | -7.2 | 0 | 0 | 0 | 113.6 | L212 N214 T233 N263 | L212-D235 PolarHBondContact O-N 2.89Å; N214-D235 WeakPolarHBondContact CB-OD2 3.39Å; N214-D235 PolarHBondContact ND2-OD2 2.96Å; T233-D235 WeakPolarHBondContact CB-OD1 3.36Å; T233-D235 PolarHBondContact OG1-OD1 2.9Å; T233-D235 PolarHBondContact OG1-OD2 2.9Å; D235-N263 CarbonylContact O-C 3.5Å; D235-N263 VanDerWaalsContact O-CA 3.23Å; D235-N263 WeakPolarHBondContact O-CA 3.15Å |
| 236 | S | 95.7 | Very high | 88.9 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.1 | -178.2 | -168 | 0 | 0 | 0 | 0 | 112 | L212 S262 N263 | L212-S236 PolarHBondContact N-O 2.87Å; L212-S236 PolarHBondContact O-N 2.93Å; S236-S262 VanDerWaalsContact CA-O 3.3Å; S236-S262 WeakPolarHBondContact CA-O 3.28Å; S236-N263 PolarHBondContact OG-OD1 2.94Å |
| 237 | I | 97.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124 | 173 | -58.1 | -178.4 | 0 | 0 | 0 | 106.8 | L209 V210 L211 L234 S261 S262 V266 I283 L285 L297 | L209-I237 HydrophobicContact CD1-CG2 4.01Å; V210-I237 WeakPolarHBondContact O-CA 3.26Å; L211-I237 HydrophobicContact CD2-CB 4.31Å; L211-I237 HydrophobicContact CD2-CD1 4.24Å; L211-I237 HydrophobicContact CD2-CG1 3.85Å; L211-I237 HydrophobicContact CD2-CG2 3.89Å; L234-I237 HydrophobicContact CD1-CG1 4.17Å; L234-I237 HydrophobicContact CD2-CD1 4.01Å; L234-I237 HydrophobicContact CD2-CG1 4.39Å; L234-I237 HydrophobicContact CG-CD1 4.41Å; L234-I237 HydrophobicContact CG-CG1 4.33Å; I237-S261 CarbonylContact O-C 3.59Å; I237-S261 WeakPolarHBondContact O-CA 3.06Å; I237-S261 WeakPolarHBondContact O-CB 3.35Å; I237-S262 PolarHBondContact N-O 2.78Å; I237-S262 PolarHBondContact O-N 2.8Å; I237-V266 HydrophobicContact CD1-CG2 4.05Å; I237-I283 HydrophobicContact CD1-CD1 3.63Å; I237-I283 HydrophobicContact CD1-CG2 4.34Å; I237-L285 HydrophobicContact CB-CD2 3.9Å; I237-L285 HydrophobicContact CG2-CD1 4.11Å; I237-L285 HydrophobicContact CG2-CD2 3.76Å; I237-L297 HydrophobicContact CD1-CD2 3.76Å; I237-L297 HydrophobicContact CG2-CD2 3.83Å |
| 238 | T | 97.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 23% | 0.233 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.3 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | L209 V210 V260 S261 | L209-T238 CarbonylContact C-O 3.51Å; L209-T238 WeakPolarHBondContact CA-O 3.3Å; V210-T238 PolarHBondContact N-O 3.13Å; V210-T238 PolarHBondContact O-N 3.34Å; T238-V260 WeakPolarHBondContact CA-O 3.12Å; T238-S261 WeakPolarHBondContact OG1-CB 2.88Å |
| 239 | L | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.9 | 171.2 | 175.3 | 73.5 | 0 | 0 | 0 | 109 | F155 F196 T208 Y241 V260 L285 C295 | F155-L239 HydrophobicContact CD1-CD2 3.73Å; F155-L239 HydrophobicContact CE1-CB 4.5Å; F155-L239 HydrophobicContact CE1-CD1 4.03Å; F155-L239 HydrophobicContact CE1-CD2 3.9Å; F155-L239 HydrophobicContact CE1-CG 4.36Å; F155-L239 HydrophobicContact CG-CD2 4.36Å; F155-L239 HydrophobicContact CZ-CD1 4.08Å; F196-L239 HydrophobicContact CE1-CD1 4.3Å; F196-L239 HydrophobicContact CZ-CD1 3.89Å; T208-L239 WeakPolarHBondContact O-CA 3.5Å; L239-Y241 HydrophobicContact CD2-CD1 3.94Å; L239-Y241 HydrophobicContact CG-CD1 4.04Å; L239-V260 HydrophobicContact CB-CG2 3.79Å; L239-V260 HydrophobicContact CD2-CG2 4.17Å; L239-V260 HydrophobicContact CG-CG2 4.35Å; L239-V260 PolarHBondContact N-O 2.98Å; L239-V260 PolarHBondContact O-N 2.98Å; L239-L285 HydrophobicContact CB-CD1 3.97Å; L239-C295 HydrophobicContact CD2-CB 4.47Å |
| 240 | T | 95.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 33.1 Ų | 33.1 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.4 | 170.3 | -63.3 | 0 | 0 | 0 | 0 | 108.6 | W207 T208 Y257 V258 N259 | W207-T240 WeakPolarHBondContact CA-O 3.35Å; T208-T240 PolarHBondContact N-O 3.27Å; T208-T240 PolarHBondContact O-N 2.02Å; T240-Y257 HydrophobicContact CG2-CD1 3.91Å; T240-V258 WeakPolarHBondContact CA-O 3.27Å; T240-N259 VanDerWaalsContact CB-OD1 3.31Å; T240-N259 WeakPolarHBondContact CB-OD1 3.48Å; T240-N259 WeakPolarHBondContact CG2-OD1 3.46Å; T240-N259 PolarHBondContact OG1-OD1 2.82Å |
| 241 | Y | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 153.6 | -179 | 65 | -84.4 | 0 | 0 | 0 | 111.4 | V157 L239 M243 F248 Y257 V258 V260 N293 | V157-Y241 HydrophobicContact CG1-CE1 4.43Å; V157-Y241 HydrophobicContact CG1-CE2 3.63Å; V157-Y241 WeakPolarHBondContact CG1-OH 3.48Å; V157-Y241 HydrophobicContact CG2-CE1 4.35Å; V157-Y241 HydrophobicContact CG2-CE2 4.39Å; L239-Y241 HydrophobicContact CD2-CD1 3.94Å; L239-Y241 HydrophobicContact CG-CD1 4.04Å; Y241-M243 HydrophobicContact CD2-SD 4.3Å; Y241-M243 HydrophobicContact CE2-CE 4.47Å; Y241-M243 HydrophobicContact CE2-CG 4.36Å; Y241-M243 HydrophobicContact CE2-SD 3.58Å; Y241-M243 VanDerWaalsContact CE2-SD 3.58Å; Y241-F248 HydrophobicContact CD2-CE2 4.15Å; Y241-F248 HydrophobicContact CD2-CZ 4.02Å; Y241-F248 HydrophobicContact CE2-CE2 4.42Å; Y241-F248 HydrophobicContact CE2-CZ 4.11Å; Y241-Y257 WeakPolarHBondContact O-CA 3.44Å; Y241-V258 HydrophobicContact CE1-CB 3.98Å; Y241-V258 HydrophobicContact CE1-CG1 3.98Å; Y241-V258 HydrophobicContact CE2-CB 4.06Å; Y241-V258 HydrophobicContact CE2-CG2 4.49Å; Y241-V258 PolarHBondContact N-O 2.84Å; Y241-V258 PolarHBondContact O-N 3.36Å; Y241-V258 WeakPolarHBondContact OH-CG1 3.46Å; Y241-V260 HydrophobicContact CD1-CG2 4.48Å; Y241-V260 HydrophobicContact CE1-CG1 3.95Å; Y241-V260 HydrophobicContact CE1-CG2 3.98Å; Y241-N293 WeakPolarHBondContact OH-CB 3.25Å; Y241-N293 PolarHBondContact OH-ND2 2.9Å |
| 242 | Y | 92.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.4 | 178.9 | -172.5 | -105.7 | 0 | 0 | 0 | 111.1 | H205 D244 G255 Y257 | H205-Y242 HydrophobicContact CB-CD1 3.81Å; H205-Y242 HydrophobicContact CB-CE1 4.49Å; H205-Y242 HydrophobicContact CB-CG 3.93Å; H205-Y242 AromaticContact CD2-CD1 3.44Å; H205-Y242 VanDerWaalsContact CD2-CD1 3.44Å; H205-Y242 WeakPolarHBondContact CD2-CD1 3.44Å; H205-Y242 AromaticContact CD2-CE1 3.26Å; H205-Y242 WeakPolarHBondContact CD2-CE1 3.2Å; H205-Y242 AromaticContact CD2-CZ 3.91Å; H205-Y242 AromaticContact CE1-CE1 3.92Å; H205-Y242 AromaticContact CE1-CZ 3.76Å; H205-Y242 AromaticContact CG-CD1 3.51Å; H205-Y242 AromaticContact CG-CE1 3.72Å; H205-Y242 AromaticContact CG-CG 3.85Å; H205-Y242 AromaticContact NE2-CE1 3.4Å; H205-Y242 WeakPolarHBondContact NE2-CE1 3.33Å; H205-Y242 AromaticContact NE2-CZ 3.6Å; Y242-D244 HydrophobicContact CD1-CB 4.06Å; Y242-D244 HydrophobicContact CE1-CB 4.48Å; Y242-D244 PolarHBondContact O-N 2.7Å; Y242-G255 VanDerWaalsContact CE2-C 3.43Å; Y242-G255 VanDerWaalsContact CE2-O 3.25Å; Y242-G255 WeakPolarHBondContact CE2-O 3.28Å; Y242-G255 WeakPolarHBondContact OH-CA 3.37Å; Y242-G255 PolarHBondContact OH-O 3.13Å; Y242-Y257 HydrophobicContact CD2-CD1 4.21Å; Y242-Y257 AromaticContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CE1 4.11Å; Y242-Y257 AromaticContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CG 4.08Å; Y242-Y257 AromaticContact CD2-CZ 3.86Å; Y242-Y257 HydrophobicContact CE2-CD2 4.36Å; Y242-Y257 HydrophobicContact CE2-CE2 4.22Å; Y242-Y257 HydrophobicContact CG-CE1 4.41Å |
| 243 | M | 90.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -76.2 | 67.2 | 177 | -70.5 | -67 | -123.2 | 0 | 0 | 111.8 | Y241 K245 F248 S251 T253 G255 Q256 V258 N293 | Y241-M243 HydrophobicContact CD2-SD 4.3Å; Y241-M243 HydrophobicContact CE2-CE 4.47Å; Y241-M243 HydrophobicContact CE2-CG 4.36Å; Y241-M243 HydrophobicContact CE2-SD 3.58Å; Y241-M243 VanDerWaalsContact CE2-SD 3.58Å; M243-K245 PolarHBondContact O-N 3.27Å; M243-F248 HydrophobicContact SD-CB 4.34Å; M243-F248 HydrophobicContact SD-CD1 4.32Å; M243-F248 HydrophobicContact SD-CD2 3.77Å; M243-F248 HydrophobicContact SD-CE2 4.08Å; M243-F248 HydrophobicContact SD-CG 3.88Å; M243-F248 HydrophobicContact SD-CZ 4.48Å; M243-S251 WeakPolarHBondContact CE-OG 3.49Å; M243-T253 VanDerWaalsContact CB-O 3.27Å; M243-T253 WeakPolarHBondContact CB-O 3.49Å; M243-G255 PolarHBondContact O-N 3.27Å; M243-Q256 WeakPolarHBondContact CB-O 3.31Å; M243-Q256 PolarHBondContact N-O 3.41Å; M243-V258 HydrophobicContact CE-CG2 4.3Å; M243-V258 HydrophobicContact CG-CG2 3.53Å; M243-V258 HydrophobicContact SD-CG2 4.35Å; M243-N293 WeakPolarHBondContact CE-ND2 3.43Å | ||
| 244 | D | 89 | Confident | 92.2 | Very high | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -64.1 | 130 | 176.8 | -170.2 | -72.5 | 0 | 0 | 0 | 111.1 | R201 Y242 N246 L247 F248 | R201-D244 IonicContact CZ-OD1 3.56Å; R201-D244 IonicContact NE-OD1 3.62Å; R201-D244 IonicContact NE-OD2 3.88Å; R201-D244 IonicContact NH1-OD1 3.78Å; R201-D244 IonicContact NH2-OD1 3.99Å; Y242-D244 HydrophobicContact CD1-CB 4.06Å; Y242-D244 HydrophobicContact CE1-CB 4.48Å; Y242-D244 PolarHBondContact O-N 2.7Å; D244-N246 PolarHBondContact O-N 3.35Å; D244-N246 VanDerWaalsContact O-N 3.12Å; D244-N246 WeakPolarHBondContact OD1-CA 3.25Å; D244-N246 WeakPolarHBondContact OD1-CB 3.48Å; D244-N246 PolarHBondContact OD1-N 3.23Å; D244-N246 PolarHBondContact OD1-ND2 2.71Å; D244-L247 HydrophobicContact CB-CB 4.41Å; D244-L247 HydrophobicContact CB-CD1 4.31Å; D244-L247 HydrophobicContact CB-CG 4.31Å; D244-L247 PolarHBondContact O-N 2.93Å; D244-L247 VanDerWaalsContact O-N 3.07Å; D244-F248 PolarHBondContact O-N 2.04Å | ||
| 245 | K | 89.3 | Confident | 91.8 | Very high | 146 Ų | 146 | 39.5 Ų | 39.5 | 64% | 0.635 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.3 | -178.1 | -71.1 | -179.2 | -179.6 | 178.1 | 0 | 113.5 | M243 P249 P254 | M243-K245 PolarHBondContact O-N 3.27Å; K245-P249 WeakPolarHBondContact O-CA 3.41Å; K245-P254 HydrophobicContact CG-CB 3.79Å |
| 246 | N | 88.7 | Confident | 91.7 | Very high | 119 Ų | 119 | 42.5 Ų | 42.5 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -25.3 | -178.9 | -53.1 | -63.2 | 0 | 0 | 0 | 112.4 | R201 D244 | R201-N246 PolarHBondContact NH1-ND2 2.88Å; R201-N246 VanDerWaalsContact NH2-C 3.26Å; R201-N246 PolarHBondContact NH2-O 2.94Å; D244-N246 PolarHBondContact O-N 3.35Å; D244-N246 VanDerWaalsContact O-N 3.12Å; D244-N246 WeakPolarHBondContact OD1-CA 3.25Å; D244-N246 WeakPolarHBondContact OD1-CB 3.48Å; D244-N246 PolarHBondContact OD1-N 3.23Å; D244-N246 PolarHBondContact OD1-ND2 2.71Å |
| 247 | L | 89.1 | Confident | 91.5 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -35.9 | 173.2 | -65.2 | 175.5 | 0 | 0 | 0 | 111.6 | Y169 P198 R201 W207 D244 P249 | Y169-L247 HydrophobicContact CE1-CD2 3.95Å; Y169-L247 HydrophobicContact CE2-CD2 4.24Å; Y169-L247 WeakPolarHBondContact OH-CD2 3.32Å; P198-L247 HydrophobicContact CB-CD1 4.09Å; P198-L247 HydrophobicContact CG-CD1 3.8Å; R201-L247 HydrophobicContact CG-CD1 4.27Å; R201-L247 VanDerWaalsContact NE-CG 3.34Å; R201-L247 VanDerWaalsContact NH2-CG 3.26Å; W207-L247 HydrophobicContact CH2-CD1 3.71Å; W207-L247 HydrophobicContact CZ2-CD1 3.57Å; D244-L247 HydrophobicContact CB-CB 4.41Å; D244-L247 HydrophobicContact CB-CD1 4.31Å; D244-L247 HydrophobicContact CB-CG 4.31Å; D244-L247 PolarHBondContact O-N 2.93Å; D244-L247 VanDerWaalsContact O-N 3.07Å; L247-P249 VanDerWaalsContact O-CD 3.24Å; L247-P249 WeakPolarHBondContact O-CD 3.14Å |
| 248 | F | 91 | Very high | 91.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -120.7 | 65.9 | -176.1 | -52.2 | -75.8 | 0 | 0 | 0 | 109.9 | V157 Y159 Y169 W207 Y241 M243 D244 D250 S251 | V157-F248 HydrophobicContact CB-CE1 3.98Å; V157-F248 HydrophobicContact CB-CZ 4.34Å; V157-F248 HydrophobicContact CG1-CE1 3.6Å; V157-F248 HydrophobicContact CG1-CZ 4.02Å; Y159-F248 AromaticContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CE1 4.26Å; Y159-F248 HydrophobicContact CD1-CG 4.47Å; Y159-F248 HydrophobicContact CD2-CB 4.27Å; Y159-F248 HydrophobicContact CE1-CB 4.33Å; Y159-F248 AromaticContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE2-CB 4.06Å; Y159-F248 HydrophobicContact CG-CB 4.47Å; Y159-F248 HydrophobicContact CG-CD1 4.05Å; Y169-F248 HydrophobicContact CD1-CE1 4.31Å; Y169-F248 HydrophobicContact CD1-CZ 4.4Å; Y169-F248 HydrophobicContact CG-CE1 4.4Å; W207-F248 HydrophobicContact CH2-CE2 4.1Å; W207-F248 AromaticContact CH2-CZ 3.97Å; W207-F248 HydrophobicContact CH2-CZ 3.97Å; W207-F248 AromaticContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CZ 4.27Å; Y241-F248 HydrophobicContact CD2-CE2 4.15Å; Y241-F248 HydrophobicContact CD2-CZ 4.02Å; Y241-F248 HydrophobicContact CE2-CE2 4.42Å; Y241-F248 HydrophobicContact CE2-CZ 4.11Å; M243-F248 HydrophobicContact SD-CB 4.34Å; M243-F248 HydrophobicContact SD-CD1 4.32Å; M243-F248 HydrophobicContact SD-CD2 3.77Å; M243-F248 HydrophobicContact SD-CE2 4.08Å; M243-F248 HydrophobicContact SD-CG 3.88Å; M243-F248 HydrophobicContact SD-CZ 4.48Å; D244-F248 PolarHBondContact O-N 2.04Å; F248-D250 PolarHBondContact O-N 3.35Å; F248-S251 WeakPolarHBondContact O-CB 3.44Å; F248-S251 PolarHBondContact O-N 3.39Å; F248-S251 VanDerWaalsContact O-N 3.14Å |
| 249 | P | 90.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 139.1 | 178.7 | 27.1 | -35 | 0 | 0 | 0 | 109.7 | Y159 K245 L247 S251 | Y159-P249 WeakPolarHBondContact CE2-O 3.4Å; Y159-P249 WeakPolarHBondContact OH-CD 3.45Å; Y159-P249 PolarHBondContact OH-O 2.83Å; Y159-P249 VanDerWaalsContact OH-O 3.05Å; K245-P249 WeakPolarHBondContact O-CA 3.41Å; L247-P249 VanDerWaalsContact O-CD 3.24Å; L247-P249 WeakPolarHBondContact O-CD 3.14Å; P249-S251 PolarHBondContact O-N 3Å |
| 250 | D | 90.6 | Very high | 91.2 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 20.3 | -176.4 | -39.4 | -50.7 | 0 | 0 | 0 | 114.6 | S161 H162 K167 F248 | S161-D250 CarbonylContact C-O 3.36Å; S161-D250 WeakPolarHBondContact CA-O 3.39Å; S161-D250 WeakPolarHBondContact CB-O 3.4Å; H162-D250 PolarHBondContact CD2-O 2.95Å; H162-D250 VanDerWaalsContact CD2-O 3.3Å; H162-D250 PolarHBondContact N-O 2.87Å; K167-D250 IonicContact NZ-OD2 2.74Å; K167-D250 PolarHBondContact NZ-OD2 2.81Å; F248-D250 PolarHBondContact O-N 3.35Å |
| 251 | S | 91.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -57.1 | 139 | 171.8 | 175.1 | 0 | 0 | 0 | 0 | 111 | H162 M243 F248 P249 T253 P254 | H162-S251 PolarHBondContact CD2-O 3.26Å; H162-S251 VanDerWaalsContact CD2-O 3.26Å; H162-S251 PolarHBondContact NE2-O 2.89Å; M243-S251 WeakPolarHBondContact CE-OG 3.49Å; F248-S251 WeakPolarHBondContact O-CB 3.44Å; F248-S251 PolarHBondContact O-N 3.39Å; F248-S251 VanDerWaalsContact O-N 3.14Å; P249-S251 PolarHBondContact O-N 3Å; S251-T253 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact OG-N 3.34Å; S251-P254 WeakPolarHBondContact O-CD 3.29Å |
| 252 | L | 89.2 | Confident | 91.3 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -64.6 | -21.1 | 173 | -71.7 | 177.6 | 0 | 0 | 0 | 113.4 | N160 H162 P254 | N160-L252 HydrophobicContact CB-CD1 3.63Å; N160-L252 HydrophobicContact CB-CG 4.27Å; N160-L252 PolarHBondContact O-N 3.02Å; H162-L252 HydrophobicContact CB-CD2 4.43Å; L252-P254 VanDerWaalsContact C-CD 3.49Å |
| 253 | T | 88 | Confident | 91.3 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -130 | 59 | -176.7 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | M243 S251 | M243-T253 VanDerWaalsContact CB-O 3.27Å; M243-T253 WeakPolarHBondContact CB-O 3.49Å; S251-T253 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact OG-N 3.34Å |
| 254 | P | 89.8 | Confident | 91.3 | Very high | 49 Ų | 49 | 60 Ų | 60 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 147 | -178.3 | 32.1 | -31.1 | 0 | 0 | 0 | 110.5 | K245 S251 L252 | K245-P254 HydrophobicContact CG-CB 3.79Å; S251-P254 WeakPolarHBondContact O-CD 3.29Å; L252-P254 VanDerWaalsContact C-CD 3.49Å |
| 255 | G | 89.2 | Confident | 91.4 | Very high | 32 Ų | 32 | 63 Ų | 63 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 16.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y242 M243 | Y242-G255 VanDerWaalsContact CE2-C 3.43Å; Y242-G255 VanDerWaalsContact CE2-O 3.25Å; Y242-G255 WeakPolarHBondContact CE2-O 3.28Å; Y242-G255 WeakPolarHBondContact OH-CA 3.37Å; Y242-G255 PolarHBondContact OH-O 3.13Å; M243-G255 PolarHBondContact O-N 3.27Å |
| 256 | Q | 90.6 | Very high | 91.5 | Very high | 102 Ų | 102 | 58.1 Ų | 58.1 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | trans | -116.4 | 151.9 | 177.8 | -61.8 | -176.8 | 22.9 | 0 | 0 | 111.3 | M243 | M243-Q256 WeakPolarHBondContact CB-O 3.31Å; M243-Q256 PolarHBondContact N-O 3.41Å | ||
| 257 | Y | 92 | Very high | 91.8 | Very high | 111 Ų | 111 | 53.1 Ų | 53.1 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.5 | 166.5 | -78 | -82.2 | 0 | 0 | 0 | 110.5 | T240 Y241 Y242 | T240-Y257 HydrophobicContact CG2-CD1 3.91Å; Y241-Y257 WeakPolarHBondContact O-CA 3.44Å; Y242-Y257 HydrophobicContact CD2-CD1 4.21Å; Y242-Y257 AromaticContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CE1 4.11Å; Y242-Y257 AromaticContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CG 4.08Å; Y242-Y257 AromaticContact CD2-CZ 3.86Å; Y242-Y257 HydrophobicContact CE2-CD2 4.36Å; Y242-Y257 HydrophobicContact CE2-CE2 4.22Å; Y242-Y257 HydrophobicContact CG-CE1 4.41Å |
| 258 | V | 93.8 | Very high | 92 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.1 | 177.2 | -178 | 0 | 0 | 0 | 0 | 108.6 | T240 Y241 M243 V260 I291 N293 | T240-V258 WeakPolarHBondContact CA-O 3.27Å; Y241-V258 HydrophobicContact CE1-CB 3.98Å; Y241-V258 HydrophobicContact CE1-CG1 3.98Å; Y241-V258 HydrophobicContact CE2-CB 4.06Å; Y241-V258 HydrophobicContact CE2-CG2 4.49Å; Y241-V258 PolarHBondContact N-O 2.84Å; Y241-V258 PolarHBondContact O-N 3.36Å; Y241-V258 WeakPolarHBondContact OH-CG1 3.46Å; M243-V258 HydrophobicContact CE-CG2 4.3Å; M243-V258 HydrophobicContact CG-CG2 3.53Å; M243-V258 HydrophobicContact SD-CG2 4.35Å; V258-V260 HydrophobicContact CG1-CG1 4.24Å; V258-I291 HydrophobicContact CG1-CG2 3.95Å; V258-I291 HydrophobicContact CG2-CD1 4.14Å; V258-I291 HydrophobicContact CG2-CG2 4.05Å; V258-N293 HydrophobicContact CG1-CB 4.36Å |
| 259 | N | 94.9 | Very high | 92.2 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.5 | 174.3 | -66.5 | -15.2 | 0 | 0 | 0 | 108.5 | T240 | T240-N259 VanDerWaalsContact CB-OD1 3.31Å; T240-N259 WeakPolarHBondContact CB-OD1 3.48Å; T240-N259 WeakPolarHBondContact CG2-OD1 3.46Å; T240-N259 PolarHBondContact OG1-OD1 2.82Å |
| 260 | V | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.6 | 170.7 | -63.5 | 0 | 0 | 0 | 0 | 108.5 | T238 L239 Y241 V258 L285 K286 C295 | T238-V260 WeakPolarHBondContact CA-O 3.12Å; L239-V260 HydrophobicContact CB-CG2 3.79Å; L239-V260 HydrophobicContact CD2-CG2 4.17Å; L239-V260 HydrophobicContact CG-CG2 4.35Å; L239-V260 PolarHBondContact N-O 2.98Å; L239-V260 PolarHBondContact O-N 2.98Å; Y241-V260 HydrophobicContact CD1-CG2 4.48Å; Y241-V260 HydrophobicContact CE1-CG1 3.95Å; Y241-V260 HydrophobicContact CE1-CG2 3.98Å; V258-V260 HydrophobicContact CG1-CG1 4.24Å; V260-L285 HydrophobicContact CB-CB 3.92Å; V260-L285 HydrophobicContact CG2-CB 3.83Å; V260-L285 HydrophobicContact CG2-CD1 4.07Å; V260-K286 CarbonylContact C-O 3.53Å; V260-K286 VanDerWaalsContact CA-O 3.31Å; V260-K286 WeakPolarHBondContact CA-O 3.3Å; V260-C295 HydrophobicContact CB-CB 4.5Å; V260-C295 HydrophobicContact CG2-CB 3.72Å |
| 261 | S | 96.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 161.8 | -178.7 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | I237 T238 K286 | I237-S261 CarbonylContact O-C 3.59Å; I237-S261 WeakPolarHBondContact O-CA 3.06Å; I237-S261 WeakPolarHBondContact O-CB 3.35Å; T238-S261 WeakPolarHBondContact OG1-CB 2.88Å; S261-K286 PolarHBondContact N-O 3.03Å; S261-K286 PolarHBondContact O-N 2.91Å |
| 262 | S | 95.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.6 | 167.8 | 173.3 | 0 | 0 | 0 | 0 | 107.8 | S236 I237 N264 | S236-S262 VanDerWaalsContact CA-O 3.3Å; S236-S262 WeakPolarHBondContact CA-O 3.28Å; I237-S262 PolarHBondContact N-O 2.78Å; I237-S262 PolarHBondContact O-N 2.8Å; S262-N264 PolarHBondContact OG-N 3.44Å |
| 263 | N | 93 | Very high | 93 | Very high | 120 Ų | 120 | 55.5 Ų | 55.5 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | trans | -108.8 | 22.3 | 174.4 | -62 | -32.4 | 0 | 0 | 0 | 111.4 | D235 S236 | D235-N263 CarbonylContact O-C 3.5Å; D235-N263 VanDerWaalsContact O-CA 3.23Å; D235-N263 WeakPolarHBondContact O-CA 3.15Å; S236-N263 PolarHBondContact OG-OD1 2.94Å | ||
| 264 | N | 90.3 | Very high | 93.5 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -89.3 | 130.2 | 176.7 | -63.8 | -22.6 | 0 | 0 | 0 | 108.8 | S262 V266 | S262-N264 PolarHBondContact OG-N 3.44Å; N264-V266 PolarHBondContact O-N 3.03Å |
| 265 | M | 91.6 | Very high | 93.8 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | trans | -57.4 | 122.9 | 171.4 | 178 | -179.6 | 58 | 0 | 0 | 110.2 | T233 L234 R268 | T233-M265 HydrophobicContact CG2-CG 4.18Å; T233-M265 HydrophobicContact CG2-SD 3.59Å; T233-M265 VanDerWaalsContact CG2-SD 3.59Å; L234-M265 WeakPolarHBondContact O-CA 3.44Å; M265-R268 VanDerWaalsContact CE-NH2 3.32Å; M265-R268 HydrophobicContact SD-CB 4.23Å | ||
| 266 | V | 92 | Very high | 94.1 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | trans | -87 | -45.4 | -177.8 | -175 | 0 | 0 | 0 | 0 | 111.4 | L234 I237 N264 V280 I283 | L234-V266 HydrophobicContact CB-CB 4.2Å; L234-V266 HydrophobicContact CB-CG2 4.44Å; L234-V266 HydrophobicContact CD2-CB 4.05Å; L234-V266 HydrophobicContact CD2-CG1 4.43Å; L234-V266 HydrophobicContact CD2-CG2 3.94Å; L234-V266 HydrophobicContact CG-CB 4.17Å; L234-V266 HydrophobicContact CG-CG2 3.93Å; L234-V266 PolarHBondContact O-N 2.94Å; I237-V266 HydrophobicContact CD1-CG2 4.05Å; N264-V266 PolarHBondContact O-N 3.03Å; V266-V280 HydrophobicContact CG1-CG1 4.34Å; V266-I283 HydrophobicContact CB-CD1 4.44Å; V266-I283 HydrophobicContact CG1-CD1 3.7Å; V266-I283 HydrophobicContact CG1-CG1 4.48Å; V266-I283 HydrophobicContact CG2-CD1 3.78Å | ||
| 267 | F | 93.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | trans | -153.7 | 166.2 | 177.6 | 53.1 | -104.1 | 0 | 0 | 0 | 110.2 | F213 Y232 T233 L234 I269 Y275 L302 V304 | F213-F267 HydrophobicContact CE1-CE2 4.17Å; F213-F267 AromaticContact CE1-CZ 3.83Å; F213-F267 HydrophobicContact CE1-CZ 3.83Å; Y232-F267 HydrophobicContact CE2-CE2 4.26Å; T233-F267 WeakPolarHBondContact CA-O 3.13Å; L234-F267 HydrophobicContact CB-CD1 4.39Å; L234-F267 HydrophobicContact CB-CD2 4.42Å; L234-F267 HydrophobicContact CB-CE1 3.83Å; L234-F267 HydrophobicContact CB-CE2 3.86Å; L234-F267 HydrophobicContact CB-CZ 3.53Å; L234-F267 HydrophobicContact CD2-CE1 3.61Å; L234-F267 HydrophobicContact CD2-CZ 3.85Å; L234-F267 HydrophobicContact CG-CE1 4.38Å; L234-F267 HydrophobicContact CG-CZ 4.34Å; L234-F267 PolarHBondContact N-O 3.24Å; F267-I269 HydrophobicContact CD2-CG1 3.82Å; F267-I269 HydrophobicContact CE2-CG1 4.38Å; F267-Y275 HydrophobicContact CB-CE1 4.16Å; F267-Y275 HydrophobicContact CB-CE2 4.32Å; F267-Y275 AromaticContact CD1-CD1 3.7Å; F267-Y275 HydrophobicContact CD1-CD1 3.7Å; F267-Y275 AromaticContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD2-CD1 4.21Å; F267-Y275 HydrophobicContact CD2-CE1 4.5Å; F267-Y275 HydrophobicContact CD2-CG 4.41Å; F267-Y275 AromaticContact CE1-CD1 3.81Å; F267-Y275 HydrophobicContact CE1-CD1 3.81Å; F267-Y275 AromaticContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE2-CD1 4.3Å; F267-Y275 AromaticContact CG-CD1 3.93Å; F267-Y275 HydrophobicContact CG-CD1 3.93Å; F267-Y275 AromaticContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CG 4.39Å; F267-Y275 HydrophobicContact CZ-CD1 4.1Å; F267-L302 HydrophobicContact CE1-CD2 3.95Å; F267-V304 HydrophobicContact CE1-CG1 4.44Å; F267-V304 HydrophobicContact CE2-CG1 4.01Å; F267-V304 HydrophobicContact CZ-CG1 3.61Å | ||
| 268 | R | 94.3 | Very high | 94.3 | Very high | 166 Ų | 166 | 48 Ų | 48 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.6 | 176.7 | 70.8 | -175.3 | 79.6 | 170.9 | 7.6 | 109.8 | Y232 T233 M265 | Y232-R268 CarbonylContact O-C 3.52Å; Y232-R268 WeakPolarHBondContact O-CA 3.4Å; T233-R268 HydrophobicContact CG2-CB 3.85Å; M265-R268 VanDerWaalsContact CE-NH2 3.32Å; M265-R268 HydrophobicContact SD-CB 4.23Å |
| 269 | I | 94.9 | Very high | 94 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 138.5 | -171.5 | -52.7 | -70.3 | 0 | 0 | 0 | 109.8 | I231 Y232 F267 Y275 T320 | I231-I269 CarbonylContact C-O 3.47Å; I231-I269 VanDerWaalsContact CA-O 3.28Å; I231-I269 WeakPolarHBondContact CA-O 3.35Å; Y232-I269 HydrophobicContact CD1-CB 4.14Å; Y232-I269 HydrophobicContact CD1-CG2 4.49Å; Y232-I269 VanDerWaalsContact CD1-O 3.31Å; Y232-I269 WeakPolarHBondContact CD1-O 3.27Å; Y232-I269 HydrophobicContact CD2-CB 4.48Å; Y232-I269 HydrophobicContact CE1-CB 3.59Å; Y232-I269 HydrophobicContact CE1-CG2 3.59Å; Y232-I269 HydrophobicContact CE2-CB 3.99Å; Y232-I269 HydrophobicContact CE2-CG1 4.23Å; Y232-I269 PolarHBondContact N-O 2.8Å; Y232-I269 PolarHBondContact O-N 3.29Å; Y232-I269 WeakPolarHBondContact OH-CG2 3.02Å; F267-I269 HydrophobicContact CD2-CG1 3.82Å; F267-I269 HydrophobicContact CE2-CG1 4.38Å; I269-Y275 HydrophobicContact CD1-CD2 3.31Å; I269-Y275 HydrophobicContact CD1-CE2 4.07Å; I269-Y275 HydrophobicContact CD1-CG 3.82Å; I269-Y275 HydrophobicContact CG1-CD2 4.21Å; I269-Y275 HydrophobicContact CG1-CG 4.25Å; I269-T320 HydrophobicContact CD1-CG2 3.72Å |
| 270 | P | 94.6 | Very high | 93.7 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 31% | 0.312 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 135.8 | 170.8 | -23.8 | 35.4 | 0 | 0 | 0 | 112.1 | G272 S273 | P270-G272 PolarHBondContact O-N 3.44Å; P270-S273 WeakPolarHBondContact O-CB 3.39Å; P270-S273 PolarHBondContact O-N 2.7Å |
| 271 | V | 94.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 134.6 | 170.1 | 173.8 | 0 | 0 | 0 | 0 | 108.9 | R215 S230 Y232 F307 | R215-V271 HydrophobicContact CG-CG2 4.17Å; S230-V271 WeakPolarHBondContact O-CB 3.44Å; S230-V271 WeakPolarHBondContact O-CG2 2.99Å; S230-V271 PolarHBondContact O-N 2.79Å; Y232-V271 HydrophobicContact CD1-CG2 4.07Å; V271-F307 HydrophobicContact CG1-CB 4.34Å |
| 272 | G | 93.7 | Very high | 93.2 | Very high | 46 Ų | 46 | 54 Ų | 54 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 5.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114 | P270 G317 N318 | P270-G272 PolarHBondContact O-N 3.44Å; G272-G317 WeakPolarHBondContact O-CA 3.13Å; G272-N318 PolarHBondContact O-N 2.94Å |
| 273 | S | 95.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 157.2 | 168.1 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | Y232 P270 N318 | Y232-S273 PolarHBondContact OH-O 2.83Å; Y232-S273 VanDerWaalsContact OH-O 3.13Å; P270-S273 WeakPolarHBondContact O-CB 3.39Å; P270-S273 PolarHBondContact O-N 2.7Å; S273-N318 CarbonylContact C-O 3.6Å; S273-N318 WeakPolarHBondContact CA-O 3.28Å; S273-N318 WeakPolarHBondContact CB-O 3.47Å |
| 274 | Y | 97.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144.7 | 170.6 | 72.7 | -96.4 | 0 | 0 | 0 | 110.6 | V304 F315 G317 N318 E319 T320 | Y274-V304 WeakPolarHBondContact CA-O 3.28Å; Y274-F315 HydrophobicContact CD1-CB 3.83Å; Y274-F315 HydrophobicContact CD2-CB 4.39Å; Y274-F315 HydrophobicContact CD2-CD1 4.4Å; Y274-F315 HydrophobicContact CE1-CB 4.05Å; Y274-F315 HydrophobicContact CG-CB 4.01Å; Y274-F315 HydrophobicContact CG-CD1 4.16Å; Y274-F315 HydrophobicContact CG-CG 4.39Å; Y274-G317 WeakPolarHBondContact CD1-O 3.07Å; Y274-G317 WeakPolarHBondContact CE1-O 3.38Å; Y274-N318 PolarHBondContact N-O 3.01Å; Y274-E319 HydrophobicContact CD2-CG 4.38Å; Y274-E319 HydrophobicContact CE1-CB 3.91Å; Y274-E319 HydrophobicContact CE1-CG 4.49Å; Y274-E319 HydrophobicContact CE2-CB 3.87Å; Y274-E319 HydrophobicContact CE2-CG 3.52Å; Y274-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y274-E319 VanDerWaalsContact CZ-CB 3.45Å; Y274-E319 WeakPolarHBondContact OH-CB 3.38Å; Y274-E319 PolarHBondContact OH-OE1 3.41Å; Y274-E319 PolarHBondContact OH-OE2 3.2Å; Y274-T320 PolarHBondContact O-N 3.38Å |
| 275 | Y | 96.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 140.5 | 174.2 | -172.6 | -128.5 | 0 | 0 | 0 | 110.5 | F267 I269 C277 L302 K303 V304 T320 C322 | F267-Y275 HydrophobicContact CB-CE1 4.16Å; F267-Y275 HydrophobicContact CB-CE2 4.32Å; F267-Y275 AromaticContact CD1-CD1 3.7Å; F267-Y275 HydrophobicContact CD1-CD1 3.7Å; F267-Y275 AromaticContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD2-CD1 4.21Å; F267-Y275 HydrophobicContact CD2-CE1 4.5Å; F267-Y275 HydrophobicContact CD2-CG 4.41Å; F267-Y275 AromaticContact CE1-CD1 3.81Å; F267-Y275 HydrophobicContact CE1-CD1 3.81Å; F267-Y275 AromaticContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE2-CD1 4.3Å; F267-Y275 AromaticContact CG-CD1 3.93Å; F267-Y275 HydrophobicContact CG-CD1 3.93Å; F267-Y275 AromaticContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CG 4.39Å; F267-Y275 HydrophobicContact CZ-CD1 4.1Å; I269-Y275 HydrophobicContact CD1-CD2 3.31Å; I269-Y275 HydrophobicContact CD1-CE2 4.07Å; I269-Y275 HydrophobicContact CD1-CG 3.82Å; I269-Y275 HydrophobicContact CG1-CD2 4.21Å; I269-Y275 HydrophobicContact CG1-CG 4.25Å; Y275-C277 HydrophobicContact CE1-CB 4Å; Y275-L302 HydrophobicContact CD1-CD2 3.82Å; Y275-L302 HydrophobicContact CD1-CG 4.36Å; Y275-L302 HydrophobicContact CE1-CD2 3.8Å; Y275-K303 CarbonylContact O-C 3.58Å; Y275-K303 WeakPolarHBondContact O-CA 3.32Å; Y275-V304 HydrophobicContact CD1-CG1 4.15Å; Y275-V304 HydrophobicContact CG-CG1 4.47Å; Y275-V304 PolarHBondContact N-O 3.21Å; Y275-V304 PolarHBondContact O-N 2.97Å; Y275-T320 WeakPolarHBondContact CA-O 3.35Å; Y275-T320 WeakPolarHBondContact CD2-O 3.43Å; Y275-C322 HydrophobicContact CE2-CB 3.69Å; Y275-C322 WeakPolarHBondContact OH-CB 3.38Å |
| 276 | S | 95.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 123.6 | -179.7 | -166.2 | 0 | 0 | 0 | 0 | 109.3 | L302 E319 T320 L321 C322 | S276-L302 CarbonylContact C-O 3.55Å; S276-L302 WeakPolarHBondContact CA-O 3.41Å; S276-E319 WeakPolarHBondContact CB-OE1 3.39Å; S276-E319 PolarHBondContact OG-OE1 3.49Å; S276-T320 PolarHBondContact N-O 3.39Å; S276-L321 WeakPolarHBondContact O-CA 3.15Å; S276-C322 PolarHBondContact O-N 3.02Å; S276-C322 VanDerWaalsContact O-N 3.11Å |
| 277 | C | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 120.5 | -178.6 | -163.9 | 0 | 0 | 0 | 0 | 111.8 | Y275 T279 V280 N301 L302 C322 D325 | Y275-C277 HydrophobicContact CE1-CB 4Å; C277-T279 VanDerWaalsContact SG-C 3.5Å; C277-T279 PolarHBondContact SG-O 3.14Å; C277-V280 HydrophobicContact CB-CG2 4.04Å; C277-N301 CarbonylContact O-C 3.58Å; C277-N301 WeakPolarHBondContact O-CA 3.33Å; C277-N301 PolarHBondContact O-N 3.15Å; C277-L302 HydrophobicContact CB-CB 4.4Å; C277-L302 PolarHBondContact N-O 3.17Å; C277-L302 PolarHBondContact O-N 2.68Å; C277-C322 WeakPolarHBondContact CA-SG 3.26Å; C277-C322 HydrophobicContact CB-CB 3.55Å; C277-C322 WeakPolarHBondContact CB-SG 3.35Å; C277-C322 WeakPolarHBondContact SG-CB 3.1Å; C277-C322 CovalentContact SG-SG 2.04Å; C277-C322 PolarHBondContact SG-SG 3.34Å; C277-D325 VanDerWaalsContact CA-OD2 3.27Å; C277-D325 WeakPolarHBondContact CA-OD2 3.48Å |
| 278 | L | 92.3 | Very high | 93.1 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 54% | 0.539 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -42.5 | 177.5 | -64.4 | 172 | 0 | 0 | 0 | 110.5 | K300 N301 D325 | L278-K300 CarbonylContact O-C 3.47Å; L278-K300 VanDerWaalsContact O-CA 3.25Å; L278-K300 WeakPolarHBondContact O-CA 3.14Å; L278-N301 PolarHBondContact O-N 3.33Å; L278-D325 WeakPolarHBondContact CB-OD1 3.41Å; L278-D325 WeakPolarHBondContact CG-OD2 3.23Å; L278-D325 PolarHBondContact N-OD1 2.99Å; L278-D325 PolarHBondContact N-OD2 2.96Å |
| 279 | T | 88 | Confident | 92.4 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 109.4 | 176.7 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | C277 | C277-T279 VanDerWaalsContact SG-C 3.5Å; C277-T279 PolarHBondContact SG-O 3.14Å |
| 280 | V | 88.6 | Confident | 91.4 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 140.5 | 173 | -174 | 0 | 0 | 0 | 0 | 109.2 | V266 C277 M299 L302 | V266-V280 HydrophobicContact CG1-CG1 4.34Å; C277-V280 HydrophobicContact CB-CG2 4.04Å; V280-M299 HydrophobicContact CB-CB 4.06Å; V280-M299 HydrophobicContact CG1-CE 4.14Å; V280-M299 HydrophobicContact CG2-CB 3.86Å; V280-M299 PolarHBondContact N-O 2.86Å; V280-L302 HydrophobicContact CG2-CB 3.77Å; V280-L302 HydrophobicContact CG2-CD2 3.5Å; V280-L302 HydrophobicContact CG2-CG 4.27Å |
| 281 | P | 88.6 | Confident | 90.4 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -51 | 147.6 | 170 | -27.6 | 35.2 | 0 | 0 | 0 | 112.4 | I283 | P281-I283 PolarHBondContact O-N 3.48Š|
| 282 | E | 92.7 | Very high | 89.7 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 128.9 | 179.6 | 59.6 | 169.1 | -153.6 | 0 | 0 | 111.6 | K296 F298 | E282-K296 IonicContact OE1-NZ 2.82Å; E282-K296 PolarHBondContact OE1-NZ 2.64Å; E282-K296 WeakPolarHBondContact OE2-CD 3.37Å; E282-K296 IonicContact OE2-NZ 3.91Å; E282-K296 PolarHBondContact OE2-NZ 3.17Å; E282-F298 HydrophobicContact CB-CD1 4.09Å; E282-F298 HydrophobicContact CB-CE1 3.72Å; E282-F298 HydrophobicContact CB-CZ 4.45Å |
| 283 | I | 94.8 | Very high | 89.3 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.6 | 179.7 | -55.2 | 172.8 | 0 | 0 | 0 | 108.4 | I237 V266 P281 L285 K296 L297 M299 | I237-I283 HydrophobicContact CD1-CD1 3.63Å; I237-I283 HydrophobicContact CD1-CG2 4.34Å; V266-I283 HydrophobicContact CB-CD1 4.44Å; V266-I283 HydrophobicContact CG1-CD1 3.7Å; V266-I283 HydrophobicContact CG1-CG1 4.48Å; V266-I283 HydrophobicContact CG2-CD1 3.78Å; P281-I283 PolarHBondContact O-N 3.48Å; I283-L285 HydrophobicContact CG2-CD2 4.06Å; I283-K296 CarbonylContact O-C 3.57Å; I283-K296 WeakPolarHBondContact O-CA 3.41Å; I283-L297 HydrophobicContact CB-CB 4.26Å; I283-L297 HydrophobicContact CD1-CD2 4.24Å; I283-L297 PolarHBondContact N-O 2.7Å; I283-L297 PolarHBondContact O-N 2.89Å; I283-M299 HydrophobicContact CD1-CE 3.6Å |
| 284 | T | 95.9 | Very high | 89.1 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.3 | 176.3 | -60 | 0 | 0 | 0 | 0 | 110.4 | K286 | T284-K286 HydrophobicContact CG2-CG 4.47Å |
| 285 | L | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.4 | 170.6 | -47.2 | -179.8 | 0 | 0 | 0 | 109.1 | I237 L239 V260 I283 N294 C295 | I237-L285 HydrophobicContact CB-CD2 3.9Å; I237-L285 HydrophobicContact CG2-CD1 4.11Å; I237-L285 HydrophobicContact CG2-CD2 3.76Å; L239-L285 HydrophobicContact CB-CD1 3.97Å; V260-L285 HydrophobicContact CB-CB 3.92Å; V260-L285 HydrophobicContact CG2-CB 3.83Å; V260-L285 HydrophobicContact CG2-CD1 4.07Å; I283-L285 HydrophobicContact CG2-CD2 4.06Å; L285-N294 CarbonylContact O-C 3.51Å; L285-N294 WeakPolarHBondContact O-CA 3.11Å; L285-C295 HydrophobicContact CB-CB 4.22Å; L285-C295 HydrophobicContact CD1-CB 4.46Å; L285-C295 PolarHBondContact N-O 2.76Å; L285-C295 PolarHBondContact O-N 2.79Å |
| 286 | K | 94.5 | Very high | 89.1 | Confident | 141 Ų | 141 | 62.4 Ų | 62.4 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.9 | -178.4 | -65.5 | -177.7 | -179.5 | 178.5 | 0 | 110.6 | V260 S261 T284 | V260-K286 CarbonylContact C-O 3.53Å; V260-K286 VanDerWaalsContact CA-O 3.31Å; V260-K286 WeakPolarHBondContact CA-O 3.3Å; S261-K286 PolarHBondContact N-O 3.03Å; S261-K286 PolarHBondContact O-N 2.91Å; T284-K286 HydrophobicContact CG2-CG 4.47Å |
| 287 | G | 90 | Very high | 89.1 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | trans | -74 | -176.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N293 | G287-N293 WeakPolarHBondContact CA-O 3.17Å; G287-N293 PolarHBondContact N-O 2.88Å | ||
| 288 | N | 83.6 | Confident | 89.1 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 43% | 0.428 | 33% | 0.33 | S | S | . | . | trans | -83.9 | 168.2 | 174.1 | 63.2 | 19.7 | 0 | 0 | 0 | 111.4 | K290 I291 | N288-K290 PolarHBondContact O-N 3.11Å; N288-K290 VanDerWaalsContact O-N 3.16Å; N288-K290 PolarHBondContact OD1-N 3.46Å; N288-I291 CarbonylContact O-C 3.58Å; N288-I291 PolarHBondContact O-N 2.81Å; N288-I291 VanDerWaalsContact O-N 3.07Å; N288-I291 WeakPolarHBondContact OD1-CA 3.12Å; N288-I291 WeakPolarHBondContact OD1-CB 3.41Å; N288-I291 PolarHBondContact OD1-N 2.9Å | ||
| 289 | E | 78.1 | Confident | 89.2 | Confident | 197 Ų | 197 | 59.1 Ų | 59.1 | 92% | 0.921 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.3 | 179.3 | -63.4 | -178 | 171 | 0 | 0 | 113.1 | ||
| 290 | K | 73.6 | Confident | 89.5 | Confident | 189 Ų | 189 | 60.2 Ų | 60.2 | 82% | 0.822 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -29.6 | 179.1 | -63.4 | -175 | -179.8 | -177.9 | 0 | 112.5 | N288 | N288-K290 PolarHBondContact O-N 3.11Å; N288-K290 VanDerWaalsContact O-N 3.16Å; N288-K290 PolarHBondContact OD1-N 3.46Å |
| 291 | I | 74 | Confident | 89.7 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -136.5 | 87.7 | -175 | -52.2 | 179.3 | 0 | 0 | 0 | 107 | V258 N288 N293 | V258-I291 HydrophobicContact CG1-CG2 3.95Å; V258-I291 HydrophobicContact CG2-CD1 4.14Å; V258-I291 HydrophobicContact CG2-CG2 4.05Å; N288-I291 CarbonylContact O-C 3.58Å; N288-I291 PolarHBondContact O-N 2.81Å; N288-I291 VanDerWaalsContact O-N 3.07Å; N288-I291 WeakPolarHBondContact OD1-CA 3.12Å; N288-I291 WeakPolarHBondContact OD1-CB 3.41Å; N288-I291 PolarHBondContact OD1-N 2.9Å; I291-N293 HydrophobicContact CG2-CB 4.25Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.33Å; I291-N293 PolarHBondContact O-N 3.24Å |
| 292 | P | 79.7 | Confident | 90.1 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 51% | 0.506 | 29% | 0.291 | S | S | . | . | trans | -76.7 | 40 | -173.7 | 34 | -37.7 | 0 | 0 | 0 | 112.3 | ||||
| 293 | N | 84.9 | Confident | 90.3 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | trans | -76.1 | 147.1 | 173.4 | -64.6 | -15.4 | 0 | 0 | 0 | 109.1 | F158 Y241 M243 V258 G287 I291 | F158-N293 WeakPolarHBondContact O-CB 3.32Å; Y241-N293 WeakPolarHBondContact OH-CB 3.25Å; Y241-N293 PolarHBondContact OH-ND2 2.9Å; M243-N293 WeakPolarHBondContact CE-ND2 3.43Å; V258-N293 HydrophobicContact CG1-CB 4.36Å; G287-N293 WeakPolarHBondContact CA-O 3.17Å; G287-N293 PolarHBondContact N-O 2.88Å; I291-N293 HydrophobicContact CG2-CB 4.25Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.33Å; I291-N293 PolarHBondContact O-N 3.24Å | ||
| 294 | N | 92.7 | Very high | 90.4 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 153.6 | 174.5 | -62.4 | -49.5 | 0 | 0 | 0 | 108.5 | F158 L285 | F158-N294 WeakPolarHBondContact CB-O 3.42Å; F158-N294 PolarHBondContact N-O 3.43Å; F158-N294 PolarHBondContact O-N 3.03Å; L285-N294 CarbonylContact O-C 3.51Å; L285-N294 WeakPolarHBondContact O-CA 3.11Å |
| 295 | C | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.6 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | Q156 V157 L239 V260 L285 | Q156-C295 CarbonylContact O-C 3.45Å; Q156-C295 VanDerWaalsContact O-CA 3.3Å; Q156-C295 WeakPolarHBondContact O-CA 3.05Å; V157-C295 HydrophobicContact CG2-CB 4.24Å; L239-C295 HydrophobicContact CD2-CB 4.47Å; V260-C295 HydrophobicContact CB-CB 4.5Å; V260-C295 HydrophobicContact CG2-CB 3.72Å; L285-C295 HydrophobicContact CB-CB 4.22Å; L285-C295 HydrophobicContact CD1-CB 4.46Å; L285-C295 PolarHBondContact N-O 2.76Å; L285-C295 PolarHBondContact O-N 2.79Å |
| 296 | K | 96.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129 | 167.6 | -71 | -179.5 | 170.1 | -150.6 | 0 | 109.2 | F155 Q156 F158 E282 I283 F298 | F155-K296 CarbonylContact C-O 3.49Å; F155-K296 WeakPolarHBondContact CA-O 3.39Å; Q156-K296 HydrophobicContact CB-CB 4.27Å; Q156-K296 PolarHBondContact N-O 3.18Å; Q156-K296 PolarHBondContact O-N 3.49Å; F158-K296 HydrophobicContact CE2-CB 4.24Å; F158-K296 HydrophobicContact CE2-CD 3.88Å; F158-K296 HydrophobicContact CE2-CG 3.78Å; F158-K296 HydrophobicContact CZ-CD 4.08Å; F158-K296 HydrophobicContact CZ-CG 4.47Å; E282-K296 IonicContact OE1-NZ 2.82Å; E282-K296 PolarHBondContact OE1-NZ 2.64Å; E282-K296 WeakPolarHBondContact OE2-CD 3.37Å; E282-K296 IonicContact OE2-NZ 3.91Å; E282-K296 PolarHBondContact OE2-NZ 3.17Å; I283-K296 CarbonylContact O-C 3.57Å; I283-K296 WeakPolarHBondContact O-CA 3.41Å; K296-F298 HydrophobicContact CB-CE2 3.68Å; K296-F298 HydrophobicContact CB-CZ 3.83Å; K296-F298 HydrophobicContact CD-CZ 4.12Å |
| 297 | L | 96.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.6 | 173.8 | 167.3 | 65.7 | 0 | 0 | 0 | 109 | I153 F155 I237 I283 M299 | I153-L297 HydrophobicContact CG2-CD1 3.59Å; F155-L297 HydrophobicContact CD1-CB 4.47Å; F155-L297 HydrophobicContact CD1-CD1 4.01Å; F155-L297 HydrophobicContact CE1-CD1 3.65Å; F155-L297 HydrophobicContact CZ-CD1 4.05Å; I237-L297 HydrophobicContact CD1-CD2 3.76Å; I237-L297 HydrophobicContact CG2-CD2 3.83Å; I283-L297 HydrophobicContact CB-CB 4.26Å; I283-L297 HydrophobicContact CD1-CD2 4.24Å; I283-L297 PolarHBondContact N-O 2.7Å; I283-L297 PolarHBondContact O-N 2.89Å; L297-M299 HydrophobicContact CD1-CG 4.1Å; L297-M299 HydrophobicContact CD2-CE 4.27Å; L297-M299 HydrophobicContact CD2-SD 4.4Å; L297-M299 HydrophobicContact CG-CG 4.23Å |
| 298 | F | 94.8 | Very high | 90.8 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 19% | 0.189 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.3 | 174.5 | -54.6 | -89.2 | 0 | 0 | 0 | 108.4 | I153 M154 Q156 E282 K296 | I153-F298 WeakPolarHBondContact CA-O 3.17Å; M154-F298 HydrophobicContact CB-CB 4.31Å; M154-F298 HydrophobicContact CE-CB 4.02Å; M154-F298 HydrophobicContact CE-CD2 3.58Å; M154-F298 HydrophobicContact CE-CE2 4.17Å; M154-F298 HydrophobicContact CE-CG 3.79Å; M154-F298 PolarHBondContact N-O 2.78Å; M154-F298 PolarHBondContact O-N 3.32Å; Q156-F298 HydrophobicContact CB-CE2 4.04Å; E282-F298 HydrophobicContact CB-CD1 4.09Å; E282-F298 HydrophobicContact CB-CE1 3.72Å; E282-F298 HydrophobicContact CB-CZ 4.45Å; K296-F298 HydrophobicContact CB-CE2 3.68Å; K296-F298 HydrophobicContact CB-CZ 3.83Å; K296-F298 HydrophobicContact CD-CZ 4.12Å |
| 299 | M | 94.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.4 | 176.2 | -68.4 | -172.7 | -72.8 | 0 | 0 | 109.1 | F149 D152 I153 V280 I283 L297 L302 | F149-M299 HydrophobicContact CZ-SD 4.26Å; D152-M299 WeakPolarHBondContact O-CA 3.13Å; I153-M299 HydrophobicContact CG1-CG 4.22Å; V280-M299 HydrophobicContact CB-CB 4.06Å; V280-M299 HydrophobicContact CG1-CE 4.14Å; V280-M299 HydrophobicContact CG2-CB 3.86Å; V280-M299 PolarHBondContact N-O 2.86Å; I283-M299 HydrophobicContact CD1-CE 3.6Å; L297-M299 HydrophobicContact CD1-CG 4.1Å; L297-M299 HydrophobicContact CD2-CE 4.27Å; L297-M299 HydrophobicContact CD2-SD 4.4Å; L297-M299 HydrophobicContact CG-CG 4.23Å; M299-L302 HydrophobicContact CE-CD2 4.37Å; M299-L302 HydrophobicContact SD-CD1 4.42Å |
| 300 | K | 93.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 42.6 Ų | 42.6 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.5 | 176.6 | -66.1 | -178.5 | 178.9 | -178.3 | 0 | 110.5 | S151 D152 L278 L302 | S151-K300 PolarHBondContact OG-O 2.74Å; D152-K300 HydrophobicContact CB-CB 4.2Å; D152-K300 PolarHBondContact N-O 3.17Å; D152-K300 PolarHBondContact O-N 3.37Å; L278-K300 CarbonylContact O-C 3.47Å; L278-K300 VanDerWaalsContact O-CA 3.25Å; L278-K300 WeakPolarHBondContact O-CA 3.14Å; K300-L302 PolarHBondContact O-N 3.01Å |
| 301 | N | 93.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.2 | 40.8 | -177.4 | -54.7 | -58.6 | 0 | 0 | 0 | 111.9 | V134 C277 L278 K303 | V134-N301 HydrophobicContact CG1-CB 4.32Å; V134-N301 HydrophobicContact CG2-CB 3.98Å; C277-N301 CarbonylContact O-C 3.58Å; C277-N301 WeakPolarHBondContact O-CA 3.33Å; C277-N301 PolarHBondContact O-N 3.15Å; L278-N301 PolarHBondContact O-N 3.33Å; N301-K303 PolarHBondContact O-N 2.91Å |
| 302 | L | 95.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 122.3 | -179.1 | 175.8 | 64.3 | 0 | 0 | 0 | 109.1 | F149 Q150 F267 Y275 S276 C277 V280 M299 K300 V304 | F149-L302 HydrophobicContact CD2-CD1 4.09Å; F149-L302 HydrophobicContact CE2-CD1 3.45Å; F149-L302 VanDerWaalsContact CE2-CD1 3.45Å; F149-L302 HydrophobicContact CZ-CD1 3.86Å; Q150-L302 CarbonylContact O-C 3.49Å; Q150-L302 VanDerWaalsContact O-CA 3.28Å; Q150-L302 WeakPolarHBondContact O-CA 3.43Å; F267-L302 HydrophobicContact CE1-CD2 3.95Å; Y275-L302 HydrophobicContact CD1-CD2 3.82Å; Y275-L302 HydrophobicContact CD1-CG 4.36Å; Y275-L302 HydrophobicContact CE1-CD2 3.8Å; S276-L302 CarbonylContact C-O 3.55Å; S276-L302 WeakPolarHBondContact CA-O 3.41Å; C277-L302 HydrophobicContact CB-CB 4.4Å; C277-L302 PolarHBondContact N-O 3.17Å; C277-L302 PolarHBondContact O-N 2.68Å; V280-L302 HydrophobicContact CG2-CB 3.77Å; V280-L302 HydrophobicContact CG2-CD2 3.5Å; V280-L302 HydrophobicContact CG2-CG 4.27Å; M299-L302 HydrophobicContact CE-CD2 4.37Å; M299-L302 HydrophobicContact SD-CD1 4.42Å; K300-L302 PolarHBondContact O-N 3.01Å; L302-V304 HydrophobicContact CD1-CG1 4.48Å |
| 303 | K | 97.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 27% | 0.274 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.3 | 162.1 | -61.9 | -170.3 | 174.3 | -161.8 | 0 | 110.1 | F149 Q150 Y275 N301 F315 | F149-K303 CarbonylContact C-O 3.11Å; F149-K303 WeakPolarHBondContact CA-O 3Å; Q150-K303 HydrophobicContact CB-CB 4.24Å; Q150-K303 PolarHBondContact N-O 2.89Å; Q150-K303 PolarHBondContact O-N 3.44Å; Y275-K303 CarbonylContact O-C 3.58Å; Y275-K303 WeakPolarHBondContact O-CA 3.32Å; N301-K303 PolarHBondContact O-N 2.91Å; K303-F315 HydrophobicContact CB-CD1 4.48Å; K303-F315 HydrophobicContact CB-CD2 4.36Å; K303-F315 HydrophobicContact CB-CE1 3.88Å; K303-F315 HydrophobicContact CB-CE2 3.74Å; K303-F315 HydrophobicContact CB-CZ 3.47Å; K303-F315 VanDerWaalsContact CB-CZ 3.47Å; K303-F315 HydrophobicContact CD-CD2 4.2Å; K303-F315 HydrophobicContact CD-CE2 4.13Å |
| 304 | V | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 131 | 178.9 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | F147 L148 F149 F213 Y232 F267 Y274 Y275 L302 | F147-V304 HydrophobicContact CE2-CG2 3.63Å; F147-V304 HydrophobicContact CZ-CG2 3.91Å; L148-V304 VanDerWaalsContact O-CA 3.32Å; L148-V304 WeakPolarHBondContact O-CA 3.31Å; F149-V304 HydrophobicContact CD2-CB 4.12Å; F149-V304 HydrophobicContact CD2-CG2 4.08Å; F213-V304 HydrophobicContact CE1-CG2 3.68Å; F213-V304 HydrophobicContact CZ-CG2 3.81Å; Y232-V304 PolarHBondContact OH-O 3.37Å; F267-V304 HydrophobicContact CE1-CG1 4.44Å; F267-V304 HydrophobicContact CE2-CG1 4.01Å; F267-V304 HydrophobicContact CZ-CG1 3.61Å; Y274-V304 WeakPolarHBondContact CA-O 3.28Å; Y275-V304 HydrophobicContact CD1-CG1 4.15Å; Y275-V304 HydrophobicContact CG-CG1 4.47Å; Y275-V304 PolarHBondContact N-O 3.21Å; Y275-V304 PolarHBondContact O-N 2.97Å; L302-V304 HydrophobicContact CD1-CG1 4.48Å |
| 305 | E | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.6 | 173.2 | -168.9 | 171.4 | 167.5 | 0 | 0 | 107.6 | F147 L148 M308 F315 I316 G317 | F147-E305 WeakPolarHBondContact CA-O 3.18Å; L148-E305 PolarHBondContact N-O 3.46Å; L148-E305 PolarHBondContact O-N 2.9Å; E305-M308 HydrophobicContact CB-SD 4.42Å; E305-M308 HydrophobicContact CG-CB 4.32Å; E305-M308 HydrophobicContact CG-CE 4.13Å; E305-M308 HydrophobicContact CG-SD 4.28Å; E305-F315 HydrophobicContact CB-CD1 3.84Å; E305-F315 HydrophobicContact CB-CE1 4.18Å; E305-F315 VanDerWaalsContact OE2-CA 3.25Å; E305-F315 WeakPolarHBondContact OE2-CA 3.36Å; E305-I316 PolarHBondContact OE2-N 2.71Å; E305-G317 PolarHBondContact OE1-N 2.96Å; E305-G317 PolarHBondContact OE2-N 3.27Å |
| 306 | A | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 157 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F147 Y232 M308 | F147-A306 HydrophobicContact CD2-CB 3.67Å; F147-A306 HydrophobicContact CE2-CB 3.99Å; Y232-A306 HydrophobicContact CD2-CB 3.86Å; Y232-A306 HydrophobicContact CE2-CB 3.98Å; Y232-A306 HydrophobicContact CG-CB 4.2Å; A306-M308 PolarHBondContact O-N 2.88Å |
| 307 | F | 96.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.5 | 31.2 | 179.4 | -49.8 | -82.6 | 0 | 0 | 0 | 113.2 | C146 F213 R215 Y232 V271 | C146-F307 PolarHBondContact O-N 3.1Å; F213-F307 HydrophobicContact CB-CE2 4.29Å; R215-F307 HydrophobicContact CB-CD1 4.1Å; R215-F307 HydrophobicContact CB-CD2 4.21Å; R215-F307 HydrophobicContact CB-CE1 3.74Å; R215-F307 HydrophobicContact CB-CE2 3.89Å; R215-F307 HydrophobicContact CB-CG 4.31Å; R215-F307 HydrophobicContact CB-CZ 3.63Å; Y232-F307 VanDerWaalsContact CB-CE2 3.5Å; Y232-F307 HydrophobicContact CD1-CD2 4.49Å; Y232-F307 HydrophobicContact CG-CD2 4.09Å; Y232-F307 HydrophobicContact CG-CE2 4.26Å; V271-F307 HydrophobicContact CG1-CB 4.34Å |
| 308 | M | 94.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 164.6 | 175.9 | 77.6 | -158.8 | -57.2 | 0 | 0 | 111 | Y145 C146 L148 E305 A306 N310 A314 | Y145-M308 CarbonylContact O-C 3.54Å; Y145-M308 WeakPolarHBondContact O-CG 3.09Å; C146-M308 WeakPolarHBondContact CA-O 3.42Å; C146-M308 PolarHBondContact O-N 2.94Å; C146-M308 VanDerWaalsContact O-N 3.13Å; L148-M308 HydrophobicContact CB-SD 4.39Å; L148-M308 HydrophobicContact CD1-CE 3.77Å; L148-M308 HydrophobicContact CD1-SD 3.89Å; L148-M308 HydrophobicContact CG-CE 4.23Å; L148-M308 HydrophobicContact CG-SD 3.65Å; E305-M308 HydrophobicContact CB-SD 4.42Å; E305-M308 HydrophobicContact CG-CB 4.32Å; E305-M308 HydrophobicContact CG-CE 4.13Å; E305-M308 HydrophobicContact CG-SD 4.28Å; A306-M308 PolarHBondContact O-N 2.88Å; M308-N310 HydrophobicContact CE-CB 4.23Å; M308-N310 WeakPolarHBondContact CE-ND2 3.33Å; M308-A314 WeakPolarHBondContact CE-O 3.2Å |
| 309 | N | 94.4 | Very high | 95.3 | Very high | 126 Ų | 126 | 52 Ų | 52 | 67% | 0.674 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 65.8 | 173.5 | -175.8 | 16.2 | 0 | 0 | 0 | 109.3 | S144 | S144-N309 WeakPolarHBondContact CB-OD1 3.42Å; S144-N309 PolarHBondContact OG-OD1 2.87Å |
| 310 | N | 94 | Very high | 95.3 | Very high | 44 Ų | 44 | 54 Ų | 54 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.8 | -173.4 | -68.7 | -33.6 | 0 | 0 | 0 | 110.8 | S144 Y145 M308 V312 I316 | S144-N310 CarbonylContact C-O 3.6Å; S144-N310 WeakPolarHBondContact CA-O 3.44Å; Y145-N310 PolarHBondContact N-O 3.22Å; Y145-N310 PolarHBondContact O-N 2.78Å; M308-N310 HydrophobicContact CE-CB 4.23Å; M308-N310 WeakPolarHBondContact CE-ND2 3.33Å; N310-V312 VanDerWaalsContact C-N 3.27Å; N310-I316 HydrophobicContact CB-CD1 3.72Å; N310-I316 WeakPolarHBondContact ND2-CD1 3.04Å |
| 311 | S | 94.8 | Very high | 95.2 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77.5 | -14.8 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 312 | V | 95.6 | Very high | 95.1 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -105.9 | 136.3 | -174.9 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | N310 A314 I316 | N310-V312 VanDerWaalsContact C-N 3.27Å; V312-A314 HydrophobicContact CG1-CB 3.88Å; V312-A314 PolarHBondContact O-N 3.33Å; V312-I316 HydrophobicContact CB-CD1 4.32Å |
| 313 | E | 96.2 | Very high | 94.6 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -79.9 | 54.6 | 177.4 | -157.4 | -172.6 | 126.3 | 0 | 0 | 112.8 | K136 Y145 L148 | K136-E313 WeakPolarHBondContact CE-OE1 3.26Å; K136-E313 PolarHBondContact NZ-O 2.93Å; K136-E313 IonicContact NZ-OE1 2.77Å; K136-E313 PolarHBondContact NZ-OE1 3.1Å; Y145-E313 HydrophobicContact CD1-CB 4.37Å; Y145-E313 HydrophobicContact CD1-CG 3.94Å; Y145-E313 HydrophobicContact CD2-CB 4.16Å; Y145-E313 HydrophobicContact CE1-CB 3.81Å; Y145-E313 HydrophobicContact CE1-CG 3.41Å; Y145-E313 VanDerWaalsContact CE1-CG 3.41Å; Y145-E313 HydrophobicContact CE2-CB 3.61Å; Y145-E313 HydrophobicContact CE2-CG 4.18Å; Y145-E313 HydrophobicContact CG-CG 4.47Å; Y145-E313 PolarHBondContact OH-OE2 3.31Å; L148-E313 HydrophobicContact CD2-CG 3.56Å |
| 314 | A | 96.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -132.2 | 149.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L148 M308 V312 I316 | L148-A314 VanDerWaalsContact CD1-O 3.29Å; L148-A314 WeakPolarHBondContact CD1-O 3.42Å; M308-A314 WeakPolarHBondContact CE-O 3.2Å; V312-A314 HydrophobicContact CG1-CB 3.88Å; V312-A314 PolarHBondContact O-N 3.33Å; A314-I316 HydrophobicContact CB-CG1 4.34Å; A314-I316 WeakPolarHBondContact O-CG1 3.41Å; A314-I316 PolarHBondContact O-N 2.99Å |
| 315 | F | 96.4 | Very high | 92.8 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 19% | 0.193 | 33% | 0.334 | C | S | . | . | trans | -69.1 | 111.3 | 167.4 | -62.7 | -74.8 | 0 | 0 | 0 | 108 | L148 Q150 Y274 K303 E305 | L148-F315 HydrophobicContact CB-CD1 4.27Å; L148-F315 HydrophobicContact CB-CE1 3.66Å; L148-F315 HydrophobicContact CB-CZ 3.98Å; L148-F315 HydrophobicContact CD1-CD1 4.44Å; Q150-F315 HydrophobicContact CB-CE2 4.23Å; Q150-F315 HydrophobicContact CB-CZ 4.02Å; Y274-F315 HydrophobicContact CD1-CB 3.83Å; Y274-F315 HydrophobicContact CD2-CB 4.39Å; Y274-F315 HydrophobicContact CD2-CD1 4.4Å; Y274-F315 HydrophobicContact CE1-CB 4.05Å; Y274-F315 HydrophobicContact CG-CB 4.01Å; Y274-F315 HydrophobicContact CG-CD1 4.16Å; Y274-F315 HydrophobicContact CG-CG 4.39Å; K303-F315 HydrophobicContact CB-CD1 4.48Å; K303-F315 HydrophobicContact CB-CD2 4.36Å; K303-F315 HydrophobicContact CB-CE1 3.88Å; K303-F315 HydrophobicContact CB-CE2 3.74Å; K303-F315 HydrophobicContact CB-CZ 3.47Å; K303-F315 VanDerWaalsContact CB-CZ 3.47Å; K303-F315 HydrophobicContact CD-CD2 4.2Å; K303-F315 HydrophobicContact CD-CE2 4.13Å; E305-F315 HydrophobicContact CB-CD1 3.84Å; E305-F315 HydrophobicContact CB-CE1 4.18Å; E305-F315 VanDerWaalsContact OE2-CA 3.25Å; E305-F315 WeakPolarHBondContact OE2-CA 3.36Å | ||
| 316 | I | 94 | Very high | 91.5 | Very high | 89 Ų | 89 | 62.7 Ų | 62.7 | 46% | 0.456 | 35% | 0.352 | S | S | . | . | trans | -111.6 | -31.4 | -171.8 | -69.7 | 161.1 | 0 | 0 | 0 | 110.9 | E305 N310 V312 A314 | E305-I316 PolarHBondContact OE2-N 2.71Å; N310-I316 HydrophobicContact CB-CD1 3.72Å; N310-I316 WeakPolarHBondContact ND2-CD1 3.04Å; V312-I316 HydrophobicContact CB-CD1 4.32Å; A314-I316 HydrophobicContact CB-CG1 4.34Å; A314-I316 WeakPolarHBondContact O-CG1 3.41Å; A314-I316 PolarHBondContact O-N 2.99Å | ||
| 317 | G | 92.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -59.6 | 171.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | G272 Y274 E305 | G272-G317 WeakPolarHBondContact O-CA 3.13Å; Y274-G317 WeakPolarHBondContact CD1-O 3.07Å; Y274-G317 WeakPolarHBondContact CE1-O 3.38Å; E305-G317 PolarHBondContact OE1-N 2.96Å; E305-G317 PolarHBondContact OE2-N 3.27Å |
| 318 | N | 94.6 | Very high | 87.7 | Confident | 126 Ų | 126 | 71.8 Ų | 71.8 | 67% | 0.674 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 137.5 | 172.9 | -66.7 | -28.4 | 0 | 0 | 0 | 110.5 | G272 S273 Y274 T320 | G272-N318 PolarHBondContact O-N 2.94Å; S273-N318 CarbonylContact C-O 3.6Å; S273-N318 WeakPolarHBondContact CA-O 3.28Å; S273-N318 WeakPolarHBondContact CB-O 3.47Å; Y274-N318 PolarHBondContact N-O 3.01Å; N318-T320 PolarHBondContact O-N 3.4Å |
| 319 | E | 94.9 | Very high | 85.8 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.8 | 177.7 | -172 | 158.9 | -136.7 | 0 | 0 | 111 | Y274 S276 L321 | Y274-E319 HydrophobicContact CD2-CG 4.38Å; Y274-E319 HydrophobicContact CE1-CB 3.91Å; Y274-E319 HydrophobicContact CE1-CG 4.49Å; Y274-E319 HydrophobicContact CE2-CB 3.87Å; Y274-E319 HydrophobicContact CE2-CG 3.52Å; Y274-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y274-E319 VanDerWaalsContact CZ-CB 3.45Å; Y274-E319 WeakPolarHBondContact OH-CB 3.38Å; Y274-E319 PolarHBondContact OH-OE1 3.41Å; Y274-E319 PolarHBondContact OH-OE2 3.2Å; S276-E319 WeakPolarHBondContact CB-OE1 3.39Å; S276-E319 PolarHBondContact OG-OE1 3.49Å; E319-L321 HydrophobicContact CG-CD2 4.25Å; E319-L321 HydrophobicContact CG-CG 4.41Å |
| 320 | T | 93.9 | Very high | 84.3 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 28% | 0.276 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.9 | 168.3 | -55.8 | 0 | 0 | 0 | 0 | 108.9 | I269 Y274 Y275 S276 N318 | I269-T320 HydrophobicContact CD1-CG2 3.72Å; Y274-T320 PolarHBondContact O-N 3.38Å; Y275-T320 WeakPolarHBondContact CA-O 3.35Å; Y275-T320 WeakPolarHBondContact CD2-O 3.43Å; S276-T320 PolarHBondContact N-O 3.39Å; N318-T320 PolarHBondContact O-N 3.4Å |
| 321 | L | 92.8 | Very high | 83.3 | Confident | 89 Ų | 89 | 78.2 Ų | 78.2 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 152.3 | 179.1 | -66.7 | 169.5 | 0 | 0 | 0 | 111.4 | S276 E319 V326 | S276-L321 WeakPolarHBondContact O-CA 3.15Å; E319-L321 HydrophobicContact CG-CD2 4.25Å; E319-L321 HydrophobicContact CG-CG 4.41Å; L321-V326 HydrophobicContact CB-CG2 4.28Å |
| 322 | C | 91.4 | Very high | 82.6 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.02 | 44% | 0.435 | C | S | . | . | trans | -80.2 | 149.9 | 172 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | Y275 S276 C277 S324 D325 V326 | Y275-C322 HydrophobicContact CE2-CB 3.69Å; Y275-C322 WeakPolarHBondContact OH-CB 3.38Å; S276-C322 PolarHBondContact O-N 3.02Å; S276-C322 VanDerWaalsContact O-N 3.11Å; C277-C322 WeakPolarHBondContact CA-SG 3.26Å; C277-C322 HydrophobicContact CB-CB 3.55Å; C277-C322 WeakPolarHBondContact CB-SG 3.35Å; C277-C322 WeakPolarHBondContact SG-CB 3.1Å; C277-C322 CovalentContact SG-SG 2.04Å; C277-C322 PolarHBondContact SG-SG 3.34Å; C322-S324 PolarHBondContact O-N 2.98Å; C322-D325 PolarHBondContact O-N 3.41Å; C322-V326 WeakPolarHBondContact O-CG2 3.28Å; C322-V326 PolarHBondContact O-N 2.86Å | ||
| 323 | D | 85.1 | Confident | 82.1 | Confident | 137 Ų | 137 | 78.6 Ų | 78.6 | 73% | 0.733 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.1 | 178 | -59.8 | -25.3 | 0 | 0 | 0 | 113.5 | D325 V326 | D323-D325 VanDerWaalsContact C-N 3.32Å; D323-V326 PolarHBondContact O-N 2.79Å |
| 324 | S | 77.6 | Confident | 81.4 | Confident | 60 Ų | 60 | 79.8 Ų | 79.8 | 42% | 0.42 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -29.8 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | C322 | C322-S324 PolarHBondContact O-N 2.98Š|
| 325 | D | 80.1 | Confident | 80.9 | Confident | 47 Ų | 47 | 79.7 Ų | 79.7 | 25% | 0.251 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -23.7 | 177.2 | -69.9 | -0.5 | 0 | 0 | 0 | 112.1 | C277 L278 C322 D323 N327 | C277-D325 VanDerWaalsContact CA-OD2 3.27Å; C277-D325 WeakPolarHBondContact CA-OD2 3.48Å; L278-D325 WeakPolarHBondContact CB-OD1 3.41Å; L278-D325 WeakPolarHBondContact CG-OD2 3.23Å; L278-D325 PolarHBondContact N-OD1 2.99Å; L278-D325 PolarHBondContact N-OD2 2.96Å; C322-D325 PolarHBondContact O-N 3.41Å; D323-D325 VanDerWaalsContact C-N 3.32Å; D325-N327 PolarHBondContact O-N 3.09Å; D325-N327 VanDerWaalsContact O-N 3.14Å |
| 326 | V | 68.6 | Low | 80.7 | Confident | 66 Ų | 66 | 81.6 Ų | 81.6 | 40% | 0.4 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -66.8 | -11.4 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | L321 C322 D323 | L321-V326 HydrophobicContact CB-CG2 4.28Å; C322-V326 WeakPolarHBondContact O-CG2 3.28Å; C322-V326 PolarHBondContact O-N 2.86Å; D323-V326 PolarHBondContact O-N 2.79Å |
| 327 | N | 59 | Low | 80.7 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 58% | 0.583 | 46% | 0.456 | S | S | * | . | trans | -116.1 | 99.9 | -176.4 | -71.2 | -18.6 | 0 | 0 | 0 | 112.8 | D325 | D325-N327 PolarHBondContact O-N 3.09Å; D325-N327 VanDerWaalsContact O-N 3.14Å | ||
| 328 | V | 53.9 | Low | 80.7 | Confident | 111 Ų | 111 | 83 Ų | 83 | 67% | 0.673 | 48% | 0.475 | S | S | * | . | -146.3 | 85.3 | 85.6 | -94.9 | 0 | 0 | 0 | 0 | 106.1 | N330 | V328-N330 PolarHBondContact O-N 2.85Š| |||
| 329 | N | 55.5 | Low | 80.7 | Confident | 101 Ų | 101 | 79.6 Ų | 79.6 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | trans | -66.4 | 72.9 | 158.7 | -66.4 | -24.2 | 0 | 0 | 0 | 107.1 | M331 V332 | N329-M331 HydrophobicContact CB-CB 4.17Å; N329-M331 PolarHBondContact O-N 2.88Å; N329-V332 PolarHBondContact O-N 3.25Å | ||
| 330 | N | 63.2 | Low | 80.7 | Confident | 83 Ų | 83 | 80.1 Ų | 80.1 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -8.2 | 163.1 | -70.1 | -27.8 | 0 | 0 | 0 | 110.1 | V328 V332 P333 I334 | V328-N330 PolarHBondContact O-N 2.85Å; N330-V332 PolarHBondContact O-N 3.19Å; N330-P333 VanDerWaalsContact O-CD 3.28Å; N330-P333 WeakPolarHBondContact O-CD 3.24Å; N330-I334 HydrophobicContact CB-CD1 3.51Å; N330-I334 HydrophobicContact CB-CG1 4.08Å; N330-I334 WeakPolarHBondContact O-CB 3.46Å; N330-I334 WeakPolarHBondContact O-CD1 3.43Å; N330-I334 WeakPolarHBondContact O-CG1 3.41Å; N330-I334 PolarHBondContact O-N 2.92Å |
| 331 | M | 73.4 | Confident | 80.8 | Confident | 137 Ų | 137 | 83.1 Ų | 83.1 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -41.2 | -41.4 | 167.4 | -165.5 | 165.8 | 78.6 | 0 | 0 | 114 | N329 G335 | N329-M331 HydrophobicContact CB-CB 4.17Å; N329-M331 PolarHBondContact O-N 2.88Å; M331-G335 WeakPolarHBondContact O-CA 3.38Å; M331-G335 PolarHBondContact O-N 3.4Å |
| 332 | V | 80.2 | Confident | 81 | Confident | 103 Ų | 103 | 82.6 Ų | 82.6 | 62% | 0.624 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.4 | -57.4 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | N329 N330 I334 G335 V336 | N329-V332 PolarHBondContact O-N 3.25Å; N330-V332 PolarHBondContact O-N 3.19Å; V332-I334 VanDerWaalsContact C-N 3.29Å; V332-I334 PolarHBondContact O-N 3.45Å; V332-G335 PolarHBondContact O-N 3.46Å; V332-V336 WeakPolarHBondContact O-CG2 3.43Å; V332-V336 PolarHBondContact O-N 2.88Å |
| 333 | P | 84.8 | Confident | 81.2 | Confident | 86 Ų | 86 | 86.4 Ų | 86.4 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -55.8 | -39 | 173 | -26 | 31.4 | 0 | 0 | 0 | 114.4 | N330 G337 | N330-P333 VanDerWaalsContact O-CD 3.28Å; N330-P333 WeakPolarHBondContact O-CD 3.24Å; P333-G337 PolarHBondContact O-N 2.69Å |
| 334 | I | 81.9 | Confident | 81.7 | Confident | 96 Ų | 96 | 84.5 Ų | 84.5 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 178.4 | -68.6 | 166.7 | 0 | 0 | 0 | 109.9 | N330 V332 G337 I338 | N330-I334 HydrophobicContact CB-CD1 3.51Å; N330-I334 HydrophobicContact CB-CG1 4.08Å; N330-I334 WeakPolarHBondContact O-CB 3.46Å; N330-I334 WeakPolarHBondContact O-CD1 3.43Å; N330-I334 WeakPolarHBondContact O-CG1 3.41Å; N330-I334 PolarHBondContact O-N 2.92Å; V332-I334 VanDerWaalsContact C-N 3.29Å; V332-I334 PolarHBondContact O-N 3.45Å; I334-G337 PolarHBondContact O-N 3.26Å; I334-I338 HydrophobicContact CG2-CD1 3.87Å; I334-I338 WeakPolarHBondContact O-CG1 3.47Å; I334-I338 PolarHBondContact O-N 3.5Å |
| 335 | G | 86 | Confident | 82.6 | Confident | 36 Ų | 36 | 85.5 Ų | 85.5 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | M331 V332 G337 I338 A339 | M331-G335 WeakPolarHBondContact O-CA 3.38Å; M331-G335 PolarHBondContact O-N 3.4Å; V332-G335 PolarHBondContact O-N 3.46Å; G335-G337 VanDerWaalsContact C-N 3.32Å; G335-G337 PolarHBondContact O-N 2.91Å; G335-I338 PolarHBondContact O-N 2.97Å; G335-A339 WeakPolarHBondContact O-CB 3.22Å; G335-A339 PolarHBondContact O-N 3.39Å |
| 336 | V | 91.4 | Very high | 83.4 | Confident | 83 Ų | 83 | 85 Ų | 85 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | V332 A339 L340 | V332-V336 WeakPolarHBondContact O-CG2 3.43Å; V332-V336 PolarHBondContact O-N 2.88Å; V336-A339 PolarHBondContact O-N 3.25Å; V336-L340 HydrophobicContact CG1-CD1 4.33Å; V336-L340 WeakPolarHBondContact O-CG 3.05Å; V336-L340 PolarHBondContact O-N 2.84Å |
| 337 | G | 93.1 | Very high | 84.6 | Confident | 31 Ų | 31 | 84.8 Ų | 84.8 | 32% | 0.32 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P333 I334 G335 L340 I341 | P333-G337 PolarHBondContact O-N 2.69Å; I334-G337 PolarHBondContact O-N 3.26Å; G335-G337 VanDerWaalsContact C-N 3.32Å; G335-G337 PolarHBondContact O-N 2.91Å; G337-L340 PolarHBondContact O-N 3.42Å; G337-I341 WeakPolarHBondContact O-CG1 3.48Å; G337-I341 PolarHBondContact O-N 2.94Å |
| 338 | I | 94.3 | Very high | 86.4 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 178.6 | -66 | 167.2 | 0 | 0 | 0 | 110.8 | I334 G335 L340 I341 V342 | I334-I338 HydrophobicContact CG2-CD1 3.87Å; I334-I338 WeakPolarHBondContact O-CG1 3.47Å; I334-I338 PolarHBondContact O-N 3.5Å; G335-I338 PolarHBondContact O-N 2.97Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 3.4Å; I338-I341 PolarHBondContact O-N 2.96Å; I338-V342 HydrophobicContact CG2-CG2 4.45Å; I338-V342 WeakPolarHBondContact O-CG2 3.27Å; I338-V342 PolarHBondContact O-N 3.44Å |
| 339 | A | 94 | Very high | 88.4 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G335 V336 V342 C343 | G335-A339 WeakPolarHBondContact O-CB 3.22Å; G335-A339 PolarHBondContact O-N 3.39Å; V336-A339 PolarHBondContact O-N 3.25Å; A339-V342 PolarHBondContact O-N 3.44Å; A339-C343 WeakPolarHBondContact O-CB 3.27Å; A339-C343 PolarHBondContact O-N 3.39Å; A339-C343 PolarHBondContact O-SG 3.16Å; A339-C343 VanDerWaalsContact O-SG 3.34Å |
| 340 | L | 95.1 | Very high | 90.2 | Very high | 106 Ų | 106 | 79.8 Ų | 79.8 | 56% | 0.555 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 175.6 | -74 | 178.5 | 0 | 0 | 0 | 112.4 | V336 G337 I338 C343 I344 | V336-L340 HydrophobicContact CG1-CD1 4.33Å; V336-L340 WeakPolarHBondContact O-CG 3.05Å; V336-L340 PolarHBondContact O-N 2.84Å; G337-L340 PolarHBondContact O-N 3.42Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 3.4Å; L340-C343 PolarHBondContact O-N 2.88Å; L340-I344 WeakPolarHBondContact O-CD1 3.4Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.47Å; L340-I344 PolarHBondContact O-N 2.95Å |
| 341 | I | 95.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 82.3 Ų | 82.3 | 55% | 0.554 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 177.4 | -67.7 | 167.9 | 0 | 0 | 0 | 110.7 | G337 I338 C343 I344 V345 | G337-I341 WeakPolarHBondContact O-CG1 3.48Å; G337-I341 PolarHBondContact O-N 2.94Å; I338-I341 PolarHBondContact O-N 2.96Å; I341-C343 PolarHBondContact O-N 3.38Å; I341-I344 PolarHBondContact O-N 3.47Å; I341-V345 HydrophobicContact CG2-CG2 4.42Å; I341-V345 WeakPolarHBondContact O-CG2 3.31Å; I341-V345 PolarHBondContact O-N 3.19Å |
| 342 | V | 96.1 | Very high | 92.6 | Very high | 77 Ų | 77 | 80.7 Ų | 80.7 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 178 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | I338 A339 I344 V345 V346 | I338-V342 HydrophobicContact CG2-CG2 4.45Å; I338-V342 WeakPolarHBondContact O-CG2 3.27Å; I338-V342 PolarHBondContact O-N 3.44Å; A339-V342 PolarHBondContact O-N 3.44Å; V342-I344 VanDerWaalsContact C-N 3.32Å; V342-I344 PolarHBondContact O-N 3.03Å; V342-V345 PolarHBondContact O-N 3.41Å; V342-V346 HydrophobicContact CG1-CG2 4.37Å; V342-V346 WeakPolarHBondContact O-CB 3.29Å; V342-V346 VanDerWaalsContact O-CG2 3.29Å; V342-V346 WeakPolarHBondContact O-CG2 3.49Å; V342-V346 PolarHBondContact O-N 3.39Å |
| 343 | C | 95.7 | Very high | 93.1 | Very high | 84 Ų | 84 | 79.2 Ų | 79.2 | 57% | 0.568 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.4 | -42.1 | 175.8 | -75.5 | 0 | 0 | 0 | 0 | 112.5 | A339 L340 I341 V346 A347 | A339-C343 WeakPolarHBondContact O-CB 3.27Å; A339-C343 PolarHBondContact O-N 3.39Å; A339-C343 PolarHBondContact O-SG 3.16Å; A339-C343 VanDerWaalsContact O-SG 3.34Å; L340-C343 PolarHBondContact O-N 2.88Å; I341-C343 PolarHBondContact O-N 3.38Å; C343-V346 PolarHBondContact O-N 2.9Å; C343-A347 VanDerWaalsContact O-CB 3.31Å; C343-A347 WeakPolarHBondContact O-CB 3.32Å; C343-A347 PolarHBondContact O-N 3.49Å |
| 344 | I | 96.6 | Very high | 93.3 | Very high | 97 Ų | 97 | 81.9 Ų | 81.9 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 177.2 | -69.4 | 164.6 | 0 | 0 | 0 | 110.9 | L340 I341 V342 V346 A347 I348 | L340-I344 WeakPolarHBondContact O-CD1 3.4Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.47Å; L340-I344 PolarHBondContact O-N 2.95Å; I341-I344 PolarHBondContact O-N 3.47Å; V342-I344 VanDerWaalsContact C-N 3.32Å; V342-I344 PolarHBondContact O-N 3.03Å; I344-V346 VanDerWaalsContact C-N 3.32Å; I344-V346 PolarHBondContact O-N 2.88Å; I344-A347 PolarHBondContact O-N 2.92Å; I344-I348 HydrophobicContact CG2-CD1 3.66Å; I344-I348 HydrophobicContact CG2-CG1 4.33Å; I344-I348 WeakPolarHBondContact O-CB 2.99Å; I344-I348 VanDerWaalsContact O-CG1 3.27Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 2.93Å |
| 345 | V | 96.5 | Very high | 93.6 | Very high | 81 Ų | 81 | 80.5 Ų | 80.5 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 179 | 171.6 | 0 | 0 | 0 | 0 | 111 | I341 V342 I348 T349 | I341-V345 HydrophobicContact CG2-CG2 4.42Å; I341-V345 WeakPolarHBondContact O-CG2 3.31Å; I341-V345 PolarHBondContact O-N 3.19Å; V342-V345 PolarHBondContact O-N 3.41Å; V345-I348 PolarHBondContact O-N 3.47Å; V345-T349 WeakPolarHBondContact O-CB 3.36Å; V345-T349 PolarHBondContact O-N 2.94Å; V345-T349 PolarHBondContact O-OG1 3Å |
| 346 | V | 95.4 | Very high | 93.6 | Very high | 37 Ų | 37 | 85.3 Ų | 85.3 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F13 V342 C343 I344 I348 T349 V350 | F13-V346 HydrophobicContact CE1-CG1 4.07Å; F13-V346 HydrophobicContact CE2-CG1 3.85Å; F13-V346 HydrophobicContact CZ-CG1 3.29Å; V342-V346 HydrophobicContact CG1-CG2 4.37Å; V342-V346 WeakPolarHBondContact O-CB 3.29Å; V342-V346 VanDerWaalsContact O-CG2 3.29Å; V342-V346 WeakPolarHBondContact O-CG2 3.49Å; V342-V346 PolarHBondContact O-N 3.39Å; C343-V346 PolarHBondContact O-N 2.9Å; I344-V346 VanDerWaalsContact C-N 3.32Å; I344-V346 PolarHBondContact O-N 2.88Å; V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 PolarHBondContact O-N 3.38Å; V346-T349 PolarHBondContact O-N 3.47Å; V346-V350 HydrophobicContact CG1-CG2 4.42Å; V346-V350 VanDerWaalsContact O-CG2 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.3Å; V346-V350 PolarHBondContact O-N 3.44Å |
| 347 | A | 95.7 | Very high | 93.2 | Very high | 60 Ų | 60 | 89.7 Ų | 89.7 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C343 I344 V350 F351 | C343-A347 VanDerWaalsContact O-CB 3.31Å; C343-A347 WeakPolarHBondContact O-CB 3.32Å; C343-A347 PolarHBondContact O-N 3.49Å; I344-A347 PolarHBondContact O-N 2.92Å; A347-V350 PolarHBondContact O-N 2.91Å; A347-F351 VanDerWaalsContact O-CB 3.3Å; A347-F351 WeakPolarHBondContact O-CB 3.38Å; A347-F351 PolarHBondContact O-N 3.39Å |
| 348 | I | 96.5 | Very high | 92.4 | Very high | 90 Ų | 90 | 92.4 Ų | 92.4 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.6 | -69.4 | 169.4 | 0 | 0 | 0 | 110.7 | I344 V345 V346 V350 F351 I352 | I344-I348 HydrophobicContact CG2-CD1 3.66Å; I344-I348 HydrophobicContact CG2-CG1 4.33Å; I344-I348 WeakPolarHBondContact O-CB 2.99Å; I344-I348 VanDerWaalsContact O-CG1 3.27Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 2.93Å; V345-I348 PolarHBondContact O-N 3.47Å; V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 PolarHBondContact O-N 3.38Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 3.05Å; I348-F351 PolarHBondContact O-N 3.46Å; I348-I352 HydrophobicContact CG2-CD1 3.66Å; I348-I352 HydrophobicContact CG2-CG1 4.3Å; I348-I352 VanDerWaalsContact O-CG1 3.27Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.02Å |
| 349 | T | 94.7 | Very high | 91.4 | Very high | 77 Ų | 77 | 97.4 Ų | 97.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | -179.4 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | V345 V346 I352 V353 | V345-T349 WeakPolarHBondContact O-CB 3.36Å; V345-T349 PolarHBondContact O-N 2.94Å; V345-T349 PolarHBondContact O-OG1 3Å; V346-T349 PolarHBondContact O-N 3.47Å; T349-I352 PolarHBondContact O-N 3.25Å; T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.33Å; T349-V353 PolarHBondContact O-N 3.42Å |
| 350 | V | 94.4 | Very high | 90.2 | Very high | 50 Ų | 50 | 103.8 Ų | 103.8 | 30% | 0.303 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | F13 V346 A347 I348 I352 V353 F354 | F13-V350 HydrophobicContact CE2-CG2 4.47Å; V346-V350 HydrophobicContact CG1-CG2 4.42Å; V346-V350 VanDerWaalsContact O-CG2 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.3Å; V346-V350 PolarHBondContact O-N 3.44Å; A347-V350 PolarHBondContact O-N 2.91Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 3.05Å; V350-I352 VanDerWaalsContact C-N 3.35Å; V350-I352 PolarHBondContact O-N 3.21Å; V350-V353 PolarHBondContact O-N 3.17Å; V350-F354 HydrophobicContact CG1-CD2 3.53Å; V350-F354 HydrophobicContact CG1-CE2 3.66Å; V350-F354 WeakPolarHBondContact O-CD2 3.3Å; V350-F354 PolarHBondContact O-N 2.92Å |
| 351 | F | 93.8 | Very high | 88.6 | Confident | 136 Ų | 136 | 102.5 Ų | 102.5 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.3 | -43.6 | 177.8 | -179.6 | -104.9 | 0 | 0 | 0 | 112.6 | A347 I348 F354 N355 | A347-F351 VanDerWaalsContact O-CB 3.3Å; A347-F351 WeakPolarHBondContact O-CB 3.38Å; A347-F351 PolarHBondContact O-N 3.39Å; I348-F351 PolarHBondContact O-N 3.46Å; F351-F354 PolarHBondContact O-N 3.31Å; F351-N355 WeakPolarHBondContact CD1-ND2 3.31Å; F351-N355 WeakPolarHBondContact CE1-ND2 3.47Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.41Å; F351-N355 WeakPolarHBondContact CZ-ND2 3.3Å; F351-N355 WeakPolarHBondContact O-CB 3.5Å; F351-N355 PolarHBondContact O-N 3.22Å; F351-N355 PolarHBondContact O-ND2 3.06Å |
| 352 | I | 92.9 | Very high | 87.1 | Confident | 103 Ų | 103 | 105.4 Ų | 105.4 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.6 | -68.7 | 168.5 | 0 | 0 | 0 | 110.8 | I348 T349 V350 K356 | I348-I352 HydrophobicContact CG2-CD1 3.66Å; I348-I352 HydrophobicContact CG2-CG1 4.3Å; I348-I352 VanDerWaalsContact O-CG1 3.27Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.02Å; T349-I352 PolarHBondContact O-N 3.25Å; V350-I352 VanDerWaalsContact C-N 3.35Å; V350-I352 PolarHBondContact O-N 3.21Å; I352-K356 WeakPolarHBondContact O-CB 3.39Å; I352-K356 PolarHBondContact O-N 3.43Å |
| 353 | V | 90.4 | Very high | 85.5 | Confident | 71 Ų | 71 | 107.6 Ų | 107.6 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | I9 T349 V350 K356 R357 | I9-V353 HydrophobicContact CD1-CG1 4.34Å; T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.33Å; T349-V353 PolarHBondContact O-N 3.42Å; V350-V353 PolarHBondContact O-N 3.17Å; V353-K356 PolarHBondContact O-N 3.09Å; V353-R357 PolarHBondContact O-N 3.14Å; V353-R357 VanDerWaalsContact O-N 3.09Å |
| 354 | F | 89.3 | Confident | 83.9 | Confident | 142 Ų | 142 | 109.3 Ų | 109.3 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -45.9 | 177 | -93 | -83.2 | 0 | 0 | 0 | 112.1 | V350 F351 K356 R357 N358 | V350-F354 HydrophobicContact CG1-CD2 3.53Å; V350-F354 HydrophobicContact CG1-CE2 3.66Å; V350-F354 WeakPolarHBondContact O-CD2 3.3Å; V350-F354 PolarHBondContact O-N 2.92Å; F351-F354 PolarHBondContact O-N 3.31Å; F354-K356 VanDerWaalsContact C-N 3.34Å; F354-K356 PolarHBondContact O-N 3.2Å; F354-R357 PolarHBondContact O-N 3.43Å; F354-N358 PolarHBondContact O-N 3.33Å |
| 355 | N | 88.2 | Confident | 81.5 | Confident | 67 Ų | 67 | 115.8 Ų | 115.8 | 36% | 0.358 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -37.7 | 176.9 | -79.8 | -25.9 | 0 | 0 | 0 | 112.7 | F351 R357 N358 R359 | F351-N355 WeakPolarHBondContact CD1-ND2 3.31Å; F351-N355 WeakPolarHBondContact CE1-ND2 3.47Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.41Å; F351-N355 WeakPolarHBondContact CZ-ND2 3.3Å; F351-N355 WeakPolarHBondContact O-CB 3.5Å; F351-N355 PolarHBondContact O-N 3.22Å; F351-N355 PolarHBondContact O-ND2 3.06Å; N355-R357 VanDerWaalsContact C-N 3.3Å; N355-R357 PolarHBondContact O-N 3.33Å; N355-N358 PolarHBondContact O-N 3.47Å; N355-R359 PolarHBondContact O-N 3.32Å |
| 356 | K | 86 | Confident | 80.8 | Confident | 137 Ų | 137 | 117.5 Ų | 117.5 | 60% | 0.596 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.5 | -34.4 | 175.7 | -171.5 | 173.6 | -179.5 | 174.7 | 0 | 112 | I352 V353 F354 | I352-K356 WeakPolarHBondContact O-CB 3.39Å; I352-K356 PolarHBondContact O-N 3.43Å; V353-K356 PolarHBondContact O-N 3.09Å; F354-K356 VanDerWaalsContact C-N 3.34Å; F354-K356 PolarHBondContact O-N 3.2Å |
| 357 | R | 82.1 | Confident | 80 | Confident | 176 Ų | 176 | 121.7 Ų | 121.7 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.9 | -42 | 175 | -171.9 | 174.1 | 177.7 | 168.6 | -3 | 111.6 | V353 F354 N355 R359 R360 | V353-R357 PolarHBondContact O-N 3.14Å; V353-R357 VanDerWaalsContact O-N 3.09Å; F354-R357 PolarHBondContact O-N 3.43Å; N355-R357 VanDerWaalsContact C-N 3.3Å; N355-R357 PolarHBondContact O-N 3.33Å; R357-R359 VanDerWaalsContact C-N 3.33Å; R357-R359 PolarHBondContact O-N 3.15Å; R357-R360 PolarHBondContact O-N 2.99Å |
| 358 | N | 76.2 | Confident | 79.1 | Confident | 87 Ų | 87 | 125.2 Ų | 125.2 | 47% | 0.465 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.6 | -34.8 | -178 | -155.1 | 24.2 | 0 | 0 | 0 | 112.5 | F354 N355 R360 S361 Y362 | F354-N358 PolarHBondContact O-N 3.33Å; N355-N358 PolarHBondContact O-N 3.47Å; N358-R360 VanDerWaalsContact C-N 3.27Å; N358-R360 PolarHBondContact O-N 3.15Å; N358-S361 PolarHBondContact O-N 3.04Å; N358-Y362 VanDerWaalsContact O-CD2 3.3Å; N358-Y362 WeakPolarHBondContact O-CD2 3.3Å |
| 359 | R | 74 | Confident | 78.1 | Confident | 206 Ų | 206 | 127.2 Ų | 127.2 | 78% | 0.777 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.4 | -27.7 | 175.4 | -72.7 | -170.4 | 179.7 | -165.4 | 0.7 | 114.1 | N355 R357 S361 | N355-R359 PolarHBondContact O-N 3.32Å; R357-R359 VanDerWaalsContact C-N 3.33Å; R357-R359 PolarHBondContact O-N 3.15Å; R359-S361 PolarHBondContact O-N 3.43Å |
| 360 | R | 68.1 | Low | 77.1 | Confident | 188 Ų | 188 | 130.4 Ų | 130.4 | 71% | 0.709 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.5 | -19.7 | 178.3 | -71.4 | -177.9 | 176.2 | 178.6 | -3.1 | 113.1 | R357 N358 Y362 | R357-R360 PolarHBondContact O-N 2.99Å; N358-R360 VanDerWaalsContact C-N 3.27Å; N358-R360 PolarHBondContact O-N 3.15Å; R360-Y362 VanDerWaalsContact C-N 3.34Å |
| 361 | S | 63.2 | Low | 75.9 | Confident | 79 Ų | 79 | 135.7 Ų | 135.7 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -12.8 | -178.9 | -59.4 | 0 | 0 | 0 | 0 | 113.9 | N358 R359 | N358-S361 PolarHBondContact O-N 3.04Å; R359-S361 PolarHBondContact O-N 3.43Å |
| 362 | Y | 64.2 | Low | 74.6 | Confident | 169 Ų | 169 | 135.7 Ų | 135.7 | 66% | 0.663 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 5.5 | -177 | -64.1 | -75.2 | 0 | 0 | 0 | 114.5 | N358 R360 | N358-Y362 VanDerWaalsContact O-CD2 3.3Å; N358-Y362 WeakPolarHBondContact O-CD2 3.3Å; R360-Y362 VanDerWaalsContact C-N 3.34Å |
| 363 | T | 62.6 | Low | 73.2 | Confident | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -100.7 | 13.7 | 177.9 | -38.8 | 0 | 0 | 0 | 0 | 113 | ||
| 364 | T | 60.4 | Low | 71.8 | Confident | 121 Ų | 121 | 143.8 Ų | 143.8 | 74% | 0.742 | 68% | 0.676 | S | S | * | * | trans | -126.1 | 78.2 | 171.4 | 50.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 365 | L | 47 | Very low | 70.2 | Confident | 232 Ų | 232 | 144 Ų | 144 | 100% | 1.215 | 68% | 0.681 | S | S | * | * | trans | -136.1 | 0 | 162.8 | -108.3 | 157.8 | 0 | 0 | 0 | 107.8 |
Retrieved 365 of 365 residues in 641.9 ms
(Link to these results)