| 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 | 40.9 | Very low | 44.9 | Very low | 240 Ų | 240 | 141.3 Ų | 141.3 | 100% | 1.182 | 80% | 0.796 | S | S | * | * | 0 | 87 | 0 | -64.5 | 170.6 | 177.2 | 0 | 0 | 107.1 | |||||
| 2 | V | 34.8 | Very low | 45 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -156.3 | 150 | -165.1 | 178 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | P | 45.4 | Very low | 44.9 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -129.5 | 170.5 | -17.7 | 31.1 | -12.1 | 0 | 0 | 0 | 113.9 | ||||
| 4 | I | 52.6 | Low | 45.1 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -92.3 | 131.4 | 161.6 | -66 | 172.1 | 0 | 0 | 0 | 108.4 | ||||
| 5 | S | 44.3 | Very low | 44.7 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -47.6 | 124.6 | -168.5 | -63.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 6 | L | 46.6 | Very low | 44.8 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | -97.6 | 97.5 | 161.3 | -140.6 | 148.3 | 0 | 0 | 0 | 106.5 | V8 | L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 HydrophobicContact CD2-CG2 3.79Å; L6-V8 PolarHBondContact O-N 2.69Å | ||
| 7 | V | 46.2 | Very low | 44.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 92.2 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | V9 | V7-V9 HydrophobicContact CG1-CG2 3.91Å; V7-V9 PolarHBondContact O-N 3.08Å | ||
| 8 | V | 44.2 | Very low | 44.7 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 61% | 0.606 | 79% | 0.786 | S | S | * | * | trans | -77 | 99.4 | 166.7 | 179.8 | 0 | 0 | 0 | 0 | 107 | L6 L10 | L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 HydrophobicContact CD2-CG2 3.79Å; L6-V8 PolarHBondContact O-N 2.69Å; V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 HydrophobicContact CG1-CG 4.12Å; V8-L10 PolarHBondContact O-N 3.37Å | ||
| 9 | V | 47.1 | Very low | 44.6 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | trans | -74.3 | 90.4 | 168 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | V7 L11 | V7-V9 HydrophobicContact CG1-CG2 3.91Å; V7-V9 PolarHBondContact O-N 3.08Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 HydrophobicContact CG1-CD1 3.75Å; V9-L11 HydrophobicContact CG1-CG 3.96Å; V9-L11 PolarHBondContact O-N 3.07Å; V9-L11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | L | 40.3 | Very low | 44.4 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -68.5 | 93 | 161.9 | -83 | 154.3 | 0 | 0 | 0 | 107.8 | V8 | V8-L10 VanDerWaalsContact C-N 3.3Å; V8-L10 HydrophobicContact CG1-CG 4.12Å; V8-L10 PolarHBondContact O-N 3.37Å | ||
| 11 | L | 51.9 | Low | 44.3 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 137.9 | 163.4 | -91.5 | 145.7 | 0 | 0 | 0 | 109 | V9 | V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L11 HydrophobicContact CG1-CD1 3.75Å; V9-L11 HydrophobicContact CG1-CG 3.96Å; V9-L11 PolarHBondContact O-N 3.07Å; V9-L11 VanDerWaalsContact O-N 3.1Å | ||
| 12 | P | 45.2 | Very low | 44.1 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | trans | -69.7 | 149.8 | -170.5 | 30.7 | -32.1 | 0 | 0 | 0 | 110.1 | A14 | P12-A14 PolarHBondContact O-N 3.34Š| ||
| 13 | A | 43.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 127 Ų | 127 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 83.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 14 | A | 47.9 | Very low | 43.9 | Very low | 69 Ų | 69 | 131 Ų | 131 | 57% | 0.57 | 78% | 0.783 | S | S | * | * | trans | -86.3 | 121.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | P12 F16 | P12-A14 PolarHBondContact O-N 3.34Å; A14-F16 WeakPolarHBondContact O-CD2 3.47Å; A14-F16 PolarHBondContact O-N 3.3Å | ||
| 15 | A | 39.5 | Very low | 43.2 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -49.6 | 122.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 16 | F | 46.1 | Very low | 42.7 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -107.7 | 101.8 | 159.3 | -74.6 | -82.3 | 0 | 0 | 0 | 107.1 | A14 L18 | A14-F16 WeakPolarHBondContact O-CD2 3.47Å; A14-F16 PolarHBondContact O-N 3.3Å; F16-L18 PolarHBondContact O-N 3.04Å | ||
| 17 | S | 42.5 | Very low | 42.5 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -52.6 | 132 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | D19 | S17-D19 PolarHBondContact O-N 3.23Š| ||
| 18 | L | 45.5 | Very low | 42.6 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -79.4 | 37.3 | -174.4 | -123.3 | 91.7 | 0 | 0 | 0 | 112.5 | F16 | F16-L18 PolarHBondContact O-N 3.04Š|
| 19 | D | 42.3 | Very low | 42.8 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -137.7 | 62 | -170.1 | -70.2 | -52.9 | 0 | 0 | 0 | 112.2 | S17 | S17-D19 PolarHBondContact O-N 3.23Š| ||
| 20 | T | 40 | Very low | 42.4 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -162.5 | 24 | 167.7 | -4 | 0 | 0 | 0 | 0 | 116.5 | ||
| 21 | L | 43.1 | Very low | 42.8 | Very low | 172 Ų | 172 | 131 Ų | 131 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | trans | -130.1 | 42.5 | 178.7 | -88.1 | 155 | 0 | 0 | 0 | 112.6 | ||||
| 22 | S | 35.8 | Very low | 42.7 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 94% | 0.937 | 74% | 0.739 | S | S | * | * | trans | -93.8 | 84.4 | 161 | -71.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 23 | G | 35.5 | Very low | 42.8 | Very low | 57 Ų | 57 | 128.3 Ų | 128.3 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | trans | -175.1 | 117.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 24 | M | 41 | Very low | 43.3 | Very low | 197 Ų | 197 | 125.1 Ų | 125.1 | 97% | 0.97 | 71% | 0.709 | S | S | * | * | trans | 96.5 | 85.1 | 168 | -51.9 | -173.4 | -172.9 | 0 | 0 | 114.2 | ||||
| 25 | F | 39 | Very low | 43.7 | Very low | 193 Ų | 193 | 124.9 Ų | 124.9 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | -61.8 | 152.4 | -176.3 | -88.7 | -102 | 0 | 0 | 0 | 114.7 | N27 | F25-N27 PolarHBondContact O-N 3.13Š| ||
| 26 | L | 32.4 | Very low | 44.7 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | trans | -40.3 | 118.5 | 159.4 | -68.5 | 145.2 | 0 | 0 | 0 | 113.4 | T28 | L26-T28 HydrophobicContact CB-CG2 4.32Å; L26-T28 HydrophobicContact CD2-CG2 3.99Å | ||
| 27 | N | 43.2 | Very low | 45.4 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 68% | 0.684 | 66% | 0.659 | S | S | * | * | trans | -99.9 | 93.7 | 151.2 | -75.2 | -3.2 | 0 | 0 | 0 | 107.5 | F25 | F25-N27 PolarHBondContact O-N 3.13Š| ||
| 28 | T | 48.1 | Very low | 46.7 | Very low | 71 Ų | 71 | 118.3 Ų | 118.3 | 44% | 0.436 | 65% | 0.652 | S | S | . | * | trans | -87.7 | 159.1 | 172.1 | 48.5 | 0 | 0 | 0 | 0 | 109.4 | L26 K30 | L26-T28 HydrophobicContact CB-CG2 4.32Å; L26-T28 HydrophobicContact CD2-CG2 3.99Å; T28-K30 PolarHBondContact O-N 2.62Å | ||
| 29 | P | 48.6 | Very low | 47.8 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 81% | 0.805 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 9.7 | 176.5 | 23.7 | -35.5 | 0 | 0 | 0 | 115.6 | E31 | P29-E31 VanDerWaalsContact C-N 3.31Å; P29-E31 PolarHBondContact O-N 3.26Å |
| 30 | K | 38.7 | Very low | 49 | Very low | 164 Ų | 164 | 109.3 Ų | 109.3 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.6 | -20.2 | 178.2 | -161.4 | 175.1 | -179.2 | -176.9 | 0 | 113.1 | T28 A34 | T28-K30 PolarHBondContact O-N 2.62Å; K30-A34 PolarHBondContact O-N 3.22Å |
| 31 | E | 48.8 | Very low | 50.6 | Low | 108 Ų | 108 | 111.6 Ų | 111.6 | 51% | 0.505 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.8 | -35.5 | -176.2 | -151.6 | -172.6 | 136 | 0 | 0 | 113.2 | P29 N33 A34 Q35 | P29-E31 VanDerWaalsContact C-N 3.31Å; P29-E31 PolarHBondContact O-N 3.26Å; E31-N33 PolarHBondContact O-N 2Å; E31-A34 WeakPolarHBondContact O-CB 3.34Å; E31-A34 PolarHBondContact O-N 3.12Å; E31-A34 VanDerWaalsContact O-N 3.14Å; E31-Q35 PolarHBondContact O-N 3.26Å |
| 32 | L | 49.4 | Very low | 52.2 | Low | 77 Ų | 77 | 106.4 Ų | 106.4 | 40% | 0.403 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.7 | -33.8 | -178.1 | -158.2 | 77.9 | 0 | 0 | 0 | 112.7 | A34 E109 | L32-A34 VanDerWaalsContact C-N 3.35Å; L32-E109 HydrophobicContact CD1-CG 4.04Å; L32-E109 HydrophobicContact CD2-CG 4.16Å; L32-E109 WeakPolarHBondContact CD2-OE1 3.02Å |
| 33 | N | 47.2 | Very low | 54.3 | Low | 115 Ų | 115 | 100.8 Ų | 100.8 | 62% | 0.615 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.6 | -21.8 | 173 | -162.1 | 32.5 | 0 | 0 | 0 | 112.2 | E31 S36 V37 | E31-N33 PolarHBondContact O-N 2Å; N33-S36 PolarHBondContact O-OG 3.42Å; N33-V37 WeakPolarHBondContact O-CG2 2.95Å |
| 34 | A | 54.2 | Low | 56.3 | Low | 48 Ų | 48 | 104.2 Ų | 104.2 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.4 | -41 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K30 E31 L32 S36 V37 E38 | K30-A34 PolarHBondContact O-N 3.22Å; E31-A34 WeakPolarHBondContact O-CB 3.34Å; E31-A34 PolarHBondContact O-N 3.12Å; E31-A34 VanDerWaalsContact O-N 3.14Å; L32-A34 VanDerWaalsContact C-N 3.35Å; A34-S36 PolarHBondContact O-N 3.25Å; A34-V37 PolarHBondContact O-N 2.96Å; A34-E38 VanDerWaalsContact O-CB 3.27Å; A34-E38 WeakPolarHBondContact O-CB 3.35Å; A34-E38 PolarHBondContact O-N 3.23Å |
| 35 | Q | 57.9 | Low | 57.9 | Low | 63 Ų | 63 | 96.5 Ų | 96.5 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 179.1 | -75.2 | 180 | -2.9 | 0 | 0 | 113.2 | E31 L39 | E31-Q35 PolarHBondContact O-N 3.26Å; Q35-L39 VanDerWaalsContact O-CB 3.22Å; Q35-L39 WeakPolarHBondContact O-CB 3.36Å; Q35-L39 PolarHBondContact O-N 2.99Å |
| 36 | S | 59 | Low | 59.7 | Low | 57 Ų | 57 | 94.1 Ų | 94.1 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 178.4 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | N33 A34 S40 | N33-S36 PolarHBondContact O-OG 3.42Å; A34-S36 PolarHBondContact O-N 3.25Å; S36-S40 PolarHBondContact O-N 3.37Å; S36-S40 VanDerWaalsContact O-N 3.16Å; S36-S40 PolarHBondContact O-OG 2.93Å |
| 37 | V | 62.1 | Low | 62.1 | Low | 70 Ų | 70 | 93 Ų | 93 | 42% | 0.424 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.4 | -39.7 | 176.8 | 176 | 0 | 0 | 0 | 0 | 110.9 | N33 A34 S40 R41 | N33-V37 WeakPolarHBondContact O-CG2 2.95Å; A34-V37 PolarHBondContact O-N 2.96Å; V37-S40 PolarHBondContact O-N 3.23Å; V37-R41 WeakPolarHBondContact O-CG 3.13Å; V37-R41 PolarHBondContact O-N 2.86Å; V37-R41 VanDerWaalsContact O-N 3.17Å |
| 38 | E | 69.8 | Low | 64.1 | Low | 119 Ų | 119 | 89.2 Ų | 89.2 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 175.8 | -168.4 | 172.2 | 176.2 | 0 | 0 | 110.9 | A34 S40 R41 L42 | A34-E38 VanDerWaalsContact O-CB 3.27Å; A34-E38 WeakPolarHBondContact O-CB 3.35Å; A34-E38 PolarHBondContact O-N 3.23Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 2.04Å; E38-R41 CarbonylContact O-C 3.52Å; E38-R41 WeakPolarHBondContact O-CB 3.09Å; E38-R41 PolarHBondContact O-N 3.17Å; E38-R41 VanDerWaalsContact O-N 3.07Å; E38-L42 HydrophobicContact CG-CD1 3.9Å; E38-L42 WeakPolarHBondContact O-CD1 3.01Å; E38-L42 WeakPolarHBondContact O-CG 3.33Å; E38-L42 PolarHBondContact O-N 3.48Å |
| 39 | L | 68.7 | Low | 65.9 | Low | 54 Ų | 54 | 86 Ų | 86 | 28% | 0.283 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 176.1 | 179.8 | 58 | 0 | 0 | 0 | 112.4 | Q35 R41 L42 C43 S55 | Q35-L39 VanDerWaalsContact O-CB 3.22Å; Q35-L39 WeakPolarHBondContact O-CB 3.36Å; Q35-L39 PolarHBondContact O-N 2.99Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.99Å; L39-L42 WeakPolarHBondContact O-CB 3.43Å; L39-L42 PolarHBondContact O-N 2.75Å; L39-C43 WeakPolarHBondContact O-CB 3.46Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 2.04Å; L39-C43 VanDerWaalsContact O-SG 3.4Å; L39-S55 WeakPolarHBondContact CD1-OG 3.12Å |
| 40 | S | 67.1 | Low | 67.7 | Low | 69 Ų | 69 | 83.1 Ų | 83.1 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -36.3 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | S36 V37 E38 Q44 | S36-S40 PolarHBondContact O-N 3.37Å; S36-S40 VanDerWaalsContact O-N 3.16Å; S36-S40 PolarHBondContact O-OG 2.93Å; V37-S40 PolarHBondContact O-N 3.23Å; E38-S40 VanDerWaalsContact C-N 3.32Å; E38-S40 PolarHBondContact O-N 2.04Å; S40-Q44 WeakPolarHBondContact O-CG 3.08Å; S40-Q44 PolarHBondContact O-N 3.44Å |
| 41 | R | 72.9 | Confident | 69.9 | Low | 186 Ų | 186 | 81.2 Ų | 81.2 | 70% | 0.702 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74 | -36 | 174.9 | -71.4 | -178.6 | 175.4 | 177 | -0.7 | 112.8 | V37 E38 L39 C43 Q44 T45 | V37-R41 WeakPolarHBondContact O-CG 3.13Å; V37-R41 PolarHBondContact O-N 2.86Å; V37-R41 VanDerWaalsContact O-N 3.17Å; E38-R41 CarbonylContact O-C 3.52Å; E38-R41 WeakPolarHBondContact O-CB 3.09Å; E38-R41 PolarHBondContact O-N 3.17Å; E38-R41 VanDerWaalsContact O-N 3.07Å; L39-R41 VanDerWaalsContact C-N 3.26Å; L39-R41 PolarHBondContact O-N 2.99Å; R41-C43 VanDerWaalsContact C-N 3.27Å; R41-C43 PolarHBondContact O-N 2.85Å; R41-Q44 PolarHBondContact O-N 2.94Å; R41-T45 WeakPolarHBondContact O-CG2 3.41Å |
| 42 | L | 76.1 | Confident | 71.8 | Confident | 64 Ų | 64 | 76.3 Ų | 76.3 | 34% | 0.335 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 175.7 | -80.8 | 151.3 | 0 | 0 | 0 | 111.7 | E38 L39 T45 P53 | E38-L42 HydrophobicContact CG-CD1 3.9Å; E38-L42 WeakPolarHBondContact O-CD1 3.01Å; E38-L42 WeakPolarHBondContact O-CG 3.33Å; E38-L42 PolarHBondContact O-N 3.48Å; L39-L42 WeakPolarHBondContact O-CB 3.43Å; L39-L42 PolarHBondContact O-N 2.75Å; L42-T45 WeakPolarHBondContact O-CG2 3.39Å; L42-T45 PolarHBondContact O-OG1 2.83Å; L42-P53 HydrophobicContact CB-CG 4.45Å |
| 43 | C | 80.4 | Confident | 73.7 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 11% | 0.108 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.5 | -21.3 | 179.3 | -73.6 | 0 | 0 | 0 | 0 | 114.7 | L39 R41 C56 T81 | L39-C43 WeakPolarHBondContact O-CB 3.46Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 2.04Å; L39-C43 VanDerWaalsContact O-SG 3.4Å; R41-C43 VanDerWaalsContact C-N 3.27Å; R41-C43 PolarHBondContact O-N 2.85Å; C43-C56 WeakPolarHBondContact CA-SG 2.98Å; C43-C56 HydrophobicContact CB-CB 4.05Å; C43-C56 WeakPolarHBondContact CB-SG 3.19Å; C43-C56 WeakPolarHBondContact SG-CB 3.41Å; C43-C56 CovalentContact SG-SG 2.03Å; C43-C56 PolarHBondContact SG-SG 2.88Å; C43-T81 HydrophobicContact CB-CG2 3.48Å; C43-T81 VanDerWaalsContact CB-CG2 3.48Å; C43-T81 WeakPolarHBondContact O-CA 3.04Å; C43-T81 WeakPolarHBondContact O-CB 3.45Å |
| 44 | Q | 78.9 | Confident | 75.7 | Confident | 129 Ų | 129 | 68.6 Ų | 68.6 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 65 | -179.8 | -68.1 | 179.5 | 0.4 | 0 | 0 | 110.5 | S40 R41 | S40-Q44 WeakPolarHBondContact O-CG 3.08Å; S40-Q44 PolarHBondContact O-N 3.44Å; R41-Q44 PolarHBondContact O-N 2.94Å |
| 45 | T | 74.2 | Confident | 77.3 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.2 | -176.5 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | R41 L42 K47 T82 | R41-T45 WeakPolarHBondContact O-CG2 3.41Å; L42-T45 WeakPolarHBondContact O-CG2 3.39Å; L42-T45 PolarHBondContact O-OG1 2.83Å; T45-K47 PolarHBondContact O-N 2.82Å; T45-T82 CarbonylContact C-O 3.6Å |
| 46 | N | 75.3 | Confident | 78.8 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 18.7 | 173.2 | -64.5 | -37.1 | 0 | 0 | 0 | 113.7 | T84 | N46-T84 PolarHBondContact O-OG1 3.4Å; N46-T84 VanDerWaalsContact O-OG1 3.11Å |
| 47 | K | 83.6 | Confident | 80.2 | Confident | 112 Ų | 112 | 62.6 Ų | 62.6 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 160.3 | 178.5 | -73.9 | -172.3 | 177.9 | -167.2 | 0 | 110.9 | T45 L52 T84 | T45-K47 PolarHBondContact O-N 2.82Å; K47-L52 HydrophobicContact CB-CD1 4.42Å; K47-T84 PolarHBondContact O-N 3.05Å |
| 48 | P | 85.9 | Confident | 81.6 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.3 | 174.6 | 26 | -33.5 | 0 | 0 | 0 | 110.9 | S50 E51 L52 T84 | P48-S50 PolarHBondContact O-N 3.04Å; P48-E51 HydrophobicContact CG-CB 4.05Å; P48-E51 HydrophobicContact CG-CG 3.79Å; P48-E51 WeakPolarHBondContact CG-OE1 3.38Å; P48-E51 PolarHBondContact O-N 2.83Å; P48-L52 WeakPolarHBondContact O-CD1 3.08Å; P48-T84 CarbonylContact C-O 3.58Å; P48-T84 WeakPolarHBondContact CA-O 3.37Å |
| 49 | C | 86 | Confident | 82.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -54.7 | -29.1 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | E51 L52 C83 T84 E86 V89 | C49-E51 PolarHBondContact O-N 2.96Å; C49-L52 PolarHBondContact O-N 3.08Å; C49-C83 HydrophobicContact CB-CB 3.99Å; C49-C83 WeakPolarHBondContact CB-SG 3.04Å; C49-C83 WeakPolarHBondContact SG-CB 3.17Å; C49-C83 CovalentContact SG-SG 2.04Å; C49-C83 PolarHBondContact SG-SG 2.86Å; C49-T84 PolarHBondContact N-O 2.03Å; C49-E86 WeakPolarHBondContact CB-O 3.42Å; C49-V89 HydrophobicContact CB-CG2 3.7Å; C49-V89 WeakPolarHBondContact O-CG2 3.35Å |
| 50 | S | 85.6 | Confident | 83.8 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -69.1 | -7.8 | 174.1 | 61 | 0 | 0 | 0 | 0 | 115.6 | P48 R91 | P48-S50 PolarHBondContact O-N 3.04Å; S50-R91 PolarHBondContact O-NH1 3.08Å; S50-R91 PolarHBondContact O-NH2 2.88Å |
| 51 | E | 85.6 | Confident | 85.1 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -112.2 | 0.9 | 176.4 | -73.1 | 178.8 | -153.4 | 0 | 0 | 112.7 | P48 C49 | P48-E51 HydrophobicContact CG-CB 4.05Å; P48-E51 HydrophobicContact CG-CG 3.79Å; P48-E51 WeakPolarHBondContact CG-OE1 3.38Å; P48-E51 PolarHBondContact O-N 2.83Å; C49-E51 PolarHBondContact O-N 2.96Å |
| 52 | L | 87.5 | Confident | 86 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -68.7 | 144 | 178 | -96.4 | 68.6 | 0 | 0 | 0 | 111.2 | K47 P48 C49 C56 L57 C83 | K47-L52 HydrophobicContact CB-CD1 4.42Å; P48-L52 WeakPolarHBondContact O-CD1 3.08Å; C49-L52 PolarHBondContact O-N 3.08Å; L52-C56 HydrophobicContact CD2-CB 4.1Å; L52-L57 HydrophobicContact CB-CD1 4.42Å; L52-L57 HydrophobicContact CB-CD2 4.33Å; L52-L57 HydrophobicContact CB-CG 4.26Å; L52-C83 HydrophobicContact CD1-CB 3.59Å; L52-C83 HydrophobicContact CD2-CB 3.92Å; L52-C83 HydrophobicContact CG-CB 4.43Å |
| 53 | P | 89.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 16% | 0.156 | 32% | 0.321 | C | S | . | . | trans | -69 | 155.3 | 175 | 29.2 | -32.9 | 0 | 0 | 0 | 110.9 | L42 S55 C56 D133 | L42-P53 HydrophobicContact CB-CG 4.45Å; P53-S55 PolarHBondContact O-N 3.34Å; P53-S55 VanDerWaalsContact O-N 3.15Å; P53-C56 HydrophobicContact CG-CB 4.31Å; P53-C56 VanDerWaalsContact CG-SG 3.56Å; P53-C56 PolarHBondContact O-N 3.31Å; P53-D133 CarbonylContact C-O 3.54Å; P53-D133 HydrophobicContact CB-CB 4.08Å; P53-D133 WeakPolarHBondContact CB-O 3.5Å | ||
| 54 | A | 89.5 | Confident | 86.9 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C56 D133 T135 I136 R141 | A54-C56 VanDerWaalsContact C-N 3.32Å; A54-D133 VanDerWaalsContact CA-O 3.32Å; A54-D133 WeakPolarHBondContact CA-O 3.38Å; A54-D133 WeakPolarHBondContact CB-O 3.45Å; A54-D133 PolarHBondContact N-O 3.22Å; A54-T135 WeakPolarHBondContact CB-O 3.48Å; A54-I136 HydrophobicContact CB-CB 4.33Å; A54-I136 HydrophobicContact CB-CG1 3.46Å; A54-I136 VanDerWaalsContact CB-CG1 3.46Å; A54-R141 PolarHBondContact O-NH1 2.78Å |
| 55 | S | 88.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.7 | 172.7 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | L39 P53 D133 | L39-S55 WeakPolarHBondContact CD1-OG 3.12Å; P53-S55 PolarHBondContact O-N 3.34Å; P53-S55 VanDerWaalsContact O-N 3.15Å; S55-D133 WeakPolarHBondContact CB-OD1 3.32Å; S55-D133 PolarHBondContact N-O 2.88Å; S55-D133 WeakPolarHBondContact OG-CB 3.39Å; S55-D133 VanDerWaalsContact OG-CG 3.26Å; S55-D133 PolarHBondContact OG-OD1 3.16Å |
| 56 | C | 88.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -96 | -1 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | C43 L52 P53 A54 S78 T81 | C43-C56 WeakPolarHBondContact CA-SG 2.98Å; C43-C56 HydrophobicContact CB-CB 4.05Å; C43-C56 WeakPolarHBondContact CB-SG 3.19Å; C43-C56 WeakPolarHBondContact SG-CB 3.41Å; C43-C56 CovalentContact SG-SG 2.03Å; C43-C56 PolarHBondContact SG-SG 2.88Å; L52-C56 HydrophobicContact CD2-CB 4.1Å; P53-C56 HydrophobicContact CG-CB 4.31Å; P53-C56 VanDerWaalsContact CG-SG 3.56Å; P53-C56 PolarHBondContact O-N 3.31Å; A54-C56 VanDerWaalsContact C-N 3.32Å; C56-S78 PolarHBondContact O-N 3.27Å; C56-T81 HydrophobicContact CB-CG2 3.67Å |
| 57 | L | 89.6 | Confident | 89.2 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.6 | -174.9 | -68.8 | 172.8 | 0 | 0 | 0 | 110.3 | L52 C75 K76 | L52-L57 HydrophobicContact CB-CD1 4.42Å; L52-L57 HydrophobicContact CB-CD2 4.33Å; L52-L57 HydrophobicContact CB-CG 4.26Å; L57-C75 HydrophobicContact CB-CB 4.11Å; L57-C75 HydrophobicContact CD1-CB 4.28Å; L57-C75 HydrophobicContact CD2-CB 4.36Å; L57-C75 HydrophobicContact CG-CB 4.49Å; L57-K76 CarbonylContact C-O 3.58Å; L57-K76 WeakPolarHBondContact CA-O 3.4Å |
| 58 | D | 90.9 | Very high | 89.6 | Confident | 115 Ų | 115 | 55 Ų | 55 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 107.6 | 170.4 | -168 | 5.4 | 0 | 0 | 0 | 109.4 | C75 K76 | D58-C75 CarbonylContact O-C 3.58Å; D58-C75 WeakPolarHBondContact O-CA 3.36Å; D58-K76 PolarHBondContact N-O 2.03Å; D58-K76 PolarHBondContact O-N 3.36Å |
| 59 | C | 92.4 | Very high | 90 | Very high | 18 Ų | 18 | 57 Ų | 57 | 12% | 0.122 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.9 | -171.6 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | F61 V73 C75 I136 | C59-F61 HydrophobicContact CB-CE2 4.45Å; C59-V73 HydrophobicContact CB-CB 4.39Å; C59-V73 HydrophobicContact CB-CG2 4.17Å; C59-C75 HydrophobicContact CB-CB 4.07Å; C59-C75 WeakPolarHBondContact CB-SG 3.36Å; C59-C75 WeakPolarHBondContact SG-CB 3.34Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 2.89Å; C59-I136 HydrophobicContact CB-CG2 4.02Å |
| 60 | T | 93 | Very high | 90.4 | Very high | 99 Ų | 99 | 64.5 Ų | 64.5 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120 | 174.9 | -56.4 | 0 | 0 | 0 | 0 | 110 | V74 | T60-V74 PolarHBondContact N-O 2.72Å |
| 61 | F | 92.5 | Very high | 90.9 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 146.2 | 176.4 | -73.8 | -101.3 | 0 | 0 | 0 | 111.2 | C59 V71 V73 T93 I136 L138 | C59-F61 HydrophobicContact CB-CE2 4.45Å; F61-V71 HydrophobicContact CD1-CG2 4.13Å; F61-V71 HydrophobicContact CE1-CG2 4.39Å; F61-V73 HydrophobicContact CD1-CG1 3.62Å; F61-V73 HydrophobicContact CD2-CG1 4.42Å; F61-V73 HydrophobicContact CE1-CG1 3.85Å; F61-V73 HydrophobicContact CG-CG1 3.94Å; F61-V73 HydrophobicContact CZ-CG1 4.35Å; F61-T93 HydrophobicContact CE1-CG2 3.77Å; F61-T93 HydrophobicContact CZ-CG2 4.14Å; F61-I136 HydrophobicContact CE2-CG2 4.34Å; F61-I136 HydrophobicContact CZ-CG2 3.91Å; F61-L138 HydrophobicContact CB-CD1 4.11Å; F61-L138 HydrophobicContact CD2-CB 4.32Å; F61-L138 HydrophobicContact CD2-CD1 3.62Å; F61-L138 HydrophobicContact CE2-CB 4.15Å; F61-L138 HydrophobicContact CE2-CD1 4.21Å; F61-L138 HydrophobicContact CG-CD1 3.93Å; F61-L138 HydrophobicContact CZ-CB 4.3Å |
| 62 | P | 91.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 60.1 Ų | 60.1 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 138.7 | 175.8 | 25.3 | -32.1 | 0 | 0 | 0 | 111 | G64 C65 V71 | P62-G64 PolarHBondContact O-N 3.41Å; P62-C65 HydrophobicContact CG-CB 4.23Å; P62-V71 HydrophobicContact CG-CB 3.99Å; P62-V71 HydrophobicContact CG-CG1 4Å |
| 63 | P | 87.3 | Confident | 91.6 | Very high | 137 Ų | 137 | 59.9 Ų | 59.9 | 89% | 0.89 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 121.3 | 178.8 | 27.2 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 64 | G | 88.5 | Confident | 91.8 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 79% | 0.794 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | 19.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P62 | P62-G64 PolarHBondContact O-N 3.41Š|
| 65 | C | 91.5 | Very high | 91.9 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.2 | 172.6 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | P62 V71 C95 | P62-C65 HydrophobicContact CG-CB 4.23Å; C65-V71 HydrophobicContact CB-CG1 3.69Å; C65-C95 VanDerWaalsContact C-SG 3.5Å; C65-C95 HydrophobicContact CB-CB 3.58Å; C65-C95 WeakPolarHBondContact CB-SG 3.29Å; C65-C95 PolarHBondContact O-SG 2.85Å; C65-C95 VanDerWaalsContact O-SG 3.41Å; C65-C95 WeakPolarHBondContact SG-CB 3.04Å; C65-C95 CovalentContact SG-SG 2.04Å; C65-C95 PolarHBondContact SG-SG 3Å |
| 66 | S | 92.9 | Very high | 92.1 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 144.3 | 178 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | G68 E69 C95 | S66-G68 PolarHBondContact O-N 2.04Å; S66-E69 PolarHBondContact N-OE2 3.41Å; S66-E69 WeakPolarHBondContact O-CB 3.48Å; S66-E69 PolarHBondContact O-N 2.96Å; S66-C95 WeakPolarHBondContact O-CB 3.11Å |
| 67 | Y | 93.5 | Very high | 92.2 | Very high | 162 Ų | 162 | 66.3 Ų | 66.3 | 64% | 0.635 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 124.7 | 178.6 | 177 | -98.6 | 0 | 0 | 0 | 111.6 | E69 C95 R96 L100 | Y67-E69 VanDerWaalsContact C-N 3.34Å; Y67-C95 WeakPolarHBondContact CA-O 3.49Å; Y67-R96 HydrophobicContact CD2-CB 4.23Å; Y67-R96 HydrophobicContact CE2-CB 3.88Å; Y67-L100 HydrophobicContact CD2-CD1 3.97Å; Y67-L100 HydrophobicContact CE2-CB 3.95Å; Y67-L100 HydrophobicContact CE2-CD1 3.61Å; Y67-L100 HydrophobicContact CE2-CG 4.39Å |
| 68 | G | 92.1 | Very high | 91.9 | Very high | 41 Ų | 41 | 68.3 Ų | 68.3 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -4.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S66 C95 | S66-G68 PolarHBondContact O-N 2.04Å; G68-C95 PolarHBondContact N-O 3.4Å |
| 69 | E | 93.8 | Very high | 91.3 | Very high | 91 Ų | 91 | 70.8 Ų | 70.8 | 43% | 0.425 | 41% | 0.412 | S | S | . | . | trans | -69.3 | 137.7 | 175.5 | -172.1 | -178.9 | 175.9 | 0 | 0 | 111 | S66 Y67 V71 E94 C95 | S66-E69 PolarHBondContact N-OE2 3.41Å; S66-E69 WeakPolarHBondContact O-CB 3.48Å; S66-E69 PolarHBondContact O-N 2.96Å; Y67-E69 VanDerWaalsContact C-N 3.34Å; E69-V71 HydrophobicContact CB-CG1 4.47Å; E69-V71 HydrophobicContact CG-CG1 4.22Å; E69-V71 PolarHBondContact O-N 2.86Å; E69-E94 CarbonylContact O-C 3.53Å; E69-E94 WeakPolarHBondContact O-CA 3.13Å; E69-C95 PolarHBondContact O-N 3.12Å | ||
| 70 | K | 95 | Very high | 90.5 | Very high | 160 Ų | 160 | 76.1 Ų | 76.1 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 113.4 | 172.9 | -69.9 | -175 | 179.7 | -178.8 | 0 | 109.4 | T93 E94 | K70-T93 CarbonylContact C-O 3.54Å; K70-T93 WeakPolarHBondContact CA-O 3.4Å; K70-E94 HydrophobicContact CG-CG 4.48Å |
| 71 | V | 94.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.055 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 146.3 | -178.4 | -66.3 | 0 | 0 | 0 | 0 | 111 | F61 P62 C65 E69 V73 T92 T93 C95 | F61-V71 HydrophobicContact CD1-CG2 4.13Å; F61-V71 HydrophobicContact CE1-CG2 4.39Å; P62-V71 HydrophobicContact CG-CB 3.99Å; P62-V71 HydrophobicContact CG-CG1 4Å; C65-V71 HydrophobicContact CB-CG1 3.69Å; E69-V71 HydrophobicContact CB-CG1 4.47Å; E69-V71 HydrophobicContact CG-CG1 4.22Å; E69-V71 PolarHBondContact O-N 2.86Å; V71-V73 HydrophobicContact CG2-CG1 4.04Å; V71-T92 WeakPolarHBondContact O-CA 3.16Å; V71-T93 HydrophobicContact CG2-CG2 4.3Å; V71-T93 PolarHBondContact N-O 3.15Å; V71-T93 PolarHBondContact O-N 3.34Å; V71-T93 VanDerWaalsContact O-O 3.09Å; V71-C95 HydrophobicContact CG1-CB 4.17Å; V71-C95 HydrophobicContact CG2-CB 3.99Å |
| 72 | V | 94.7 | Very high | 89.3 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 53% | 0.527 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.2 | 171.2 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | V90 | V72-V90 HydrophobicContact CG1-CG1 3.23Å |
| 73 | V | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.4 | 179.7 | -61.1 | 0 | 0 | 0 | 0 | 110 | C59 F61 V71 R91 T93 I136 | C59-V73 HydrophobicContact CB-CB 4.39Å; C59-V73 HydrophobicContact CB-CG2 4.17Å; F61-V73 HydrophobicContact CD1-CG1 3.62Å; F61-V73 HydrophobicContact CD2-CG1 4.42Å; F61-V73 HydrophobicContact CE1-CG1 3.85Å; F61-V73 HydrophobicContact CG-CG1 3.94Å; F61-V73 HydrophobicContact CZ-CG1 4.35Å; V71-V73 HydrophobicContact CG2-CG1 4.04Å; V73-R91 HydrophobicContact CG2-CB 4.13Å; V73-R91 WeakPolarHBondContact CG2-O 3.11Å; V73-R91 PolarHBondContact N-O 2.94Å; V73-R91 PolarHBondContact O-N 3.01Å; V73-T93 HydrophobicContact CG1-CG2 3.94Å; V73-T93 HydrophobicContact CG2-CG2 3.9Å; V73-I136 HydrophobicContact CG2-CG2 4.29Å |
| 74 | V | 93.6 | Very high | 88.8 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.5 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | T60 E88 | T60-V74 PolarHBondContact N-O 2.72Å; V74-E88 HydrophobicContact CG1-CB 4.13Å |
| 75 | C | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.2 | -175.9 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L57 D58 C59 V89 | L57-C75 HydrophobicContact CB-CB 4.11Å; L57-C75 HydrophobicContact CD1-CB 4.28Å; L57-C75 HydrophobicContact CD2-CB 4.36Å; L57-C75 HydrophobicContact CG-CB 4.49Å; D58-C75 CarbonylContact O-C 3.58Å; D58-C75 WeakPolarHBondContact O-CA 3.36Å; C59-C75 HydrophobicContact CB-CB 4.07Å; C59-C75 WeakPolarHBondContact CB-SG 3.36Å; C59-C75 WeakPolarHBondContact SG-CB 3.34Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 2.89Å; C75-V89 WeakPolarHBondContact CB-O 3.02Å; C75-V89 PolarHBondContact N-O 3.45Å; C75-V89 PolarHBondContact O-N 2.92Å |
| 76 | K | 91.7 | Very high | 88.2 | Confident | 102 Ų | 102 | 76.6 Ų | 76.6 | 44% | 0.443 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.2 | 175.6 | -59.9 | -169.9 | -178.9 | -157 | 0 | 110.3 | L57 D58 S78 E88 | L57-K76 CarbonylContact C-O 3.58Å; L57-K76 WeakPolarHBondContact CA-O 3.4Å; D58-K76 PolarHBondContact N-O 2.03Å; D58-K76 PolarHBondContact O-N 3.36Å; K76-S78 PolarHBondContact O-N 2.83Å; K76-E88 WeakPolarHBondContact CE-OE1 3.08Å; K76-E88 HydrophobicContact CG-CG 4.47Å; K76-E88 IonicContact NZ-OE1 2.69Å; K76-E88 PolarHBondContact NZ-OE1 2.9Å |
| 77 | P | 89.9 | Confident | 87.8 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 136.2 | 172.5 | -21.9 | 30.4 | 0 | 0 | 0 | 111.5 | T81 C83 T87 | P77-T81 WeakPolarHBondContact CB-OG1 3.16Å; P77-C83 WeakPolarHBondContact CG-SG 3.09Å; P77-T87 WeakPolarHBondContact CD-O 3.38Å |
| 78 | S | 85 | Confident | 87.6 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | trans | -65.4 | 161.3 | 175.7 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | C56 K76 N80 T81 | C56-S78 PolarHBondContact O-N 3.27Å; K76-S78 PolarHBondContact O-N 2.83Å; S78-N80 PolarHBondContact O-N 3.11Å; S78-T81 PolarHBondContact N-OG1 3Å; S78-T81 PolarHBondContact O-N 2.8Å; S78-T81 PolarHBondContact O-OG1 2.96Å | ||
| 79 | I | 77.9 | Confident | 87.5 | Confident | 167 Ų | 167 | 72.2 Ų | 72.2 | 86% | 0.856 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.7 | -171.1 | -62.7 | 169.5 | 0 | 0 | 0 | 113.5 | ||
| 80 | N | 75 | Confident | 87.5 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 16.7 | -177 | -66.1 | -28.2 | 0 | 0 | 0 | 114.2 | S78 | S78-N80 PolarHBondContact O-N 3.11Š|
| 81 | T | 79.3 | Confident | 87.3 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 13% | 0.129 | 39% | 0.39 | C | S | . | . | trans | -109.1 | 132.4 | 179.9 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | C43 C56 P77 S78 | C43-T81 HydrophobicContact CB-CG2 3.48Å; C43-T81 VanDerWaalsContact CB-CG2 3.48Å; C43-T81 WeakPolarHBondContact O-CA 3.04Å; C43-T81 WeakPolarHBondContact O-CB 3.45Å; C56-T81 HydrophobicContact CB-CG2 3.67Å; P77-T81 WeakPolarHBondContact CB-OG1 3.16Å; S78-T81 PolarHBondContact N-OG1 3Å; S78-T81 PolarHBondContact O-N 2.8Å; S78-T81 PolarHBondContact O-OG1 2.96Å | ||
| 82 | T | 81.7 | Confident | 87.3 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 52% | 0.515 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.2 | 171.6 | 53.4 | 0 | 0 | 0 | 0 | 107 | T45 | T45-T82 CarbonylContact C-O 3.6Å |
| 83 | C | 85.4 | Confident | 87.2 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.1 | 173.9 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | C49 L52 P77 | C49-C83 HydrophobicContact CB-CB 3.99Å; C49-C83 WeakPolarHBondContact CB-SG 3.04Å; C49-C83 WeakPolarHBondContact SG-CB 3.17Å; C49-C83 CovalentContact SG-SG 2.04Å; C49-C83 PolarHBondContact SG-SG 2.86Å; L52-C83 HydrophobicContact CD1-CB 3.59Å; L52-C83 HydrophobicContact CD2-CB 3.92Å; L52-C83 HydrophobicContact CG-CB 4.43Å; P77-C83 WeakPolarHBondContact CG-SG 3.09Å |
| 84 | T | 82.1 | Confident | 87.2 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 52% | 0.521 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 141.1 | -178.7 | -49.3 | 0 | 0 | 0 | 0 | 109.9 | N46 K47 P48 C49 | N46-T84 PolarHBondContact O-OG1 3.4Å; N46-T84 VanDerWaalsContact O-OG1 3.11Å; K47-T84 PolarHBondContact O-N 3.05Å; P48-T84 CarbonylContact C-O 3.58Å; P48-T84 WeakPolarHBondContact CA-O 3.37Å; C49-T84 PolarHBondContact N-O 2.03Å |
| 85 | G | 83.8 | Confident | 87.2 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 63% | 0.629 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 103.6 | -152.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T87 | G85-T87 PolarHBondContact O-N 3.27Š|
| 86 | E | 83.8 | Confident | 87.2 | Confident | 150 Ų | 150 | 73.2 Ų | 73.2 | 70% | 0.701 | 41% | 0.408 | S | S | * | . | trans | -68.7 | 126.6 | -174.7 | -166 | 171.1 | -168.7 | 0 | 0 | 111.3 | C49 E88 | C49-E86 WeakPolarHBondContact CB-O 3.42Å; E86-E88 PolarHBondContact O-N 3.32Å | ||
| 87 | T | 83.9 | Confident | 87.3 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 59% | 0.589 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -72.4 | -15.3 | -178.6 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | P77 G85 | P77-T87 WeakPolarHBondContact CD-O 3.38Å; G85-T87 PolarHBondContact O-N 3.27Å |
| 88 | E | 89.7 | Confident | 87.5 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | trans | -111.4 | 115.8 | 176.7 | -61.7 | -164.7 | 161.7 | 0 | 0 | 108.8 | V74 K76 E86 | V74-E88 HydrophobicContact CG1-CB 4.13Å; K76-E88 WeakPolarHBondContact CE-OE1 3.08Å; K76-E88 HydrophobicContact CG-CG 4.47Å; K76-E88 IonicContact NZ-OE1 2.69Å; K76-E88 PolarHBondContact NZ-OE1 2.9Å; E86-E88 PolarHBondContact O-N 3.32Å | ||
| 89 | V | 90.5 | Very high | 87.8 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.2 | -176.8 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | C49 C75 R91 | C49-V89 HydrophobicContact CB-CG2 3.7Å; C49-V89 WeakPolarHBondContact O-CG2 3.35Å; C75-V89 WeakPolarHBondContact CB-O 3.02Å; C75-V89 PolarHBondContact N-O 3.45Å; C75-V89 PolarHBondContact O-N 2.92Å; V89-R91 HydrophobicContact CG1-CG 4.14Å |
| 90 | V | 93 | Very high | 88.5 | Confident | 94 Ų | 94 | 67.2 Ų | 67.2 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.7 | 177.5 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | V72 | V72-V90 HydrophobicContact CG1-CG1 3.23Å |
| 91 | R | 91.8 | Very high | 89.3 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 32% | 0.317 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.3 | 178.8 | -63.5 | -65.6 | -157.4 | 175 | 7.7 | 111 | S50 V73 V89 I136 | S50-R91 PolarHBondContact O-NH1 3.08Å; S50-R91 PolarHBondContact O-NH2 2.88Å; V73-R91 HydrophobicContact CG2-CB 4.13Å; V73-R91 WeakPolarHBondContact CG2-O 3.11Å; V73-R91 PolarHBondContact N-O 2.94Å; V73-R91 PolarHBondContact O-N 3.01Å; V89-R91 HydrophobicContact CG1-CG 4.14Å; R91-I136 HydrophobicContact CB-CD1 3.58Å; R91-I136 HydrophobicContact CG-CD1 3.83Å |
| 92 | T | 93.6 | Very high | 89.9 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.7 | 172 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | V71 | V71-T92 WeakPolarHBondContact O-CA 3.16Å |
| 93 | T | 92.8 | Very high | 90.2 | Very high | 17 Ų | 17 | 66 Ų | 66 | 10% | 0.104 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 169.6 | 178.7 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | F61 K70 V71 V73 I136 | F61-T93 HydrophobicContact CE1-CG2 3.77Å; F61-T93 HydrophobicContact CZ-CG2 4.14Å; K70-T93 CarbonylContact C-O 3.54Å; K70-T93 WeakPolarHBondContact CA-O 3.4Å; V71-T93 HydrophobicContact CG2-CG2 4.3Å; V71-T93 PolarHBondContact N-O 3.15Å; V71-T93 PolarHBondContact O-N 3.34Å; V71-T93 VanDerWaalsContact O-O 3.09Å; V73-T93 HydrophobicContact CG1-CG2 3.94Å; V73-T93 HydrophobicContact CG2-CG2 3.9Å; T93-I136 HydrophobicContact CG2-CB 4.24Å; T93-I136 HydrophobicContact CG2-CG2 4Å; T93-I136 PolarHBondContact OG1-O 2.62Å |
| 94 | E | 93.5 | Very high | 90.4 | Very high | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 135.6 | 170.9 | -68.1 | 171.6 | 175.2 | 0 | 0 | 109.7 | E69 K70 R96 | E69-E94 CarbonylContact O-C 3.53Å; E69-E94 WeakPolarHBondContact O-CA 3.13Å; K70-E94 HydrophobicContact CG-CG 4.48Å; E94-R96 PolarHBondContact O-N 3.37Å; E94-R96 IonicContact OE2-CZ 3.59Å; E94-R96 VanDerWaalsContact OE2-CZ 3.28Å; E94-R96 IonicContact OE2-NH1 3.28Å; E94-R96 PolarHBondContact OE2-NH1 2.87Å; E94-R96 IonicContact OE2-NH2 2.88Å |
| 95 | C | 94.1 | Very high | 90.8 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | trans | -68.4 | 99 | 172.7 | 175.3 | 0 | 0 | 0 | 0 | 109 | C65 S66 Y67 G68 E69 V71 | C65-C95 VanDerWaalsContact C-SG 3.5Å; C65-C95 HydrophobicContact CB-CB 3.58Å; C65-C95 WeakPolarHBondContact CB-SG 3.29Å; C65-C95 PolarHBondContact O-SG 2.85Å; C65-C95 VanDerWaalsContact O-SG 3.41Å; C65-C95 WeakPolarHBondContact SG-CB 3.04Å; C65-C95 CovalentContact SG-SG 2.04Å; C65-C95 PolarHBondContact SG-SG 3Å; S66-C95 WeakPolarHBondContact O-CB 3.11Å; Y67-C95 WeakPolarHBondContact CA-O 3.49Å; G68-C95 PolarHBondContact N-O 3.4Å; E69-C95 PolarHBondContact O-N 3.12Å; V71-C95 HydrophobicContact CG1-CB 4.17Å; V71-C95 HydrophobicContact CG2-CB 3.99Å | ||
| 96 | R | 93.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | trans | -150.1 | 146.7 | 176.7 | 62.1 | -178.7 | 163.7 | -145.5 | -11.5 | 111.1 | Y67 E94 V101 L138 | Y67-R96 HydrophobicContact CD2-CB 4.23Å; Y67-R96 HydrophobicContact CE2-CB 3.88Å; E94-R96 PolarHBondContact O-N 3.37Å; E94-R96 IonicContact OE2-CZ 3.59Å; E94-R96 VanDerWaalsContact OE2-CZ 3.28Å; E94-R96 IonicContact OE2-NH1 3.28Å; E94-R96 PolarHBondContact OE2-NH1 2.87Å; E94-R96 IonicContact OE2-NH2 2.88Å; R96-V101 HydrophobicContact CG-CG2 4.42Å; R96-L138 PolarHBondContact O-N 2.75Å | ||
| 97 | S | 92.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 61 Ų | 61 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 148.5 | 171.1 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | F99 L100 V101 L138 | S97-F99 PolarHBondContact O-N 3.24Å; S97-L100 WeakPolarHBondContact O-CB 3.44Å; S97-L100 PolarHBondContact O-N 2.79Å; S97-V101 PolarHBondContact O-N 2.93Å; S97-L138 CarbonylContact C-O 3.56Å; S97-L138 VanDerWaalsContact CA-O 3.31Å; S97-L138 WeakPolarHBondContact CA-O 3.29Å |
| 98 | C | 93.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -56.9 | -34.8 | -177.9 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | L100 V101 V131 C137 L138 R140 F143 | C98-L100 VanDerWaalsContact C-N 3.26Å; C98-L100 PolarHBondContact O-N 2.89Å; C98-V101 WeakPolarHBondContact O-CB 3.06Å; C98-V101 WeakPolarHBondContact O-CG2 3.31Å; C98-V101 PolarHBondContact O-N 2.03Å; C98-V131 HydrophobicContact CB-CG2 3.91Å; C98-C137 WeakPolarHBondContact CA-SG 3.32Å; C98-C137 HydrophobicContact CB-CB 3.89Å; C98-C137 WeakPolarHBondContact CB-SG 3.11Å; C98-C137 VanDerWaalsContact SG-C 3.52Å; C98-C137 WeakPolarHBondContact SG-CB 3.44Å; C98-C137 CovalentContact SG-SG 2.03Å; C98-C137 PolarHBondContact SG-SG 3.26Å; C98-L138 PolarHBondContact N-O 3.27Å; C98-L138 PolarHBondContact SG-O 2.72Å; C98-L138 VanDerWaalsContact SG-O 3.37Å; C98-R140 WeakPolarHBondContact CB-O 3.35Å; C98-F143 VanDerWaalsContact O-CE1 3.29Å; C98-F143 WeakPolarHBondContact O-CE1 3.05Å |
| 99 | F | 92.2 | Very high | 91.6 | Very high | 125 Ų | 125 | 57.1 Ų | 57.1 | 55% | 0.548 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -73.5 | -14.7 | 177.4 | 70.6 | -91.6 | 0 | 0 | 0 | 114.2 | S97 F143 | S97-F99 PolarHBondContact O-N 3.24Å; F99-F143 HydrophobicContact CB-CB 4.28Å; F99-F143 HydrophobicContact CB-CD1 4.37Å; F99-F143 HydrophobicContact CB-CD2 3.81Å; F99-F143 HydrophobicContact CB-CE2 4.22Å; F99-F143 HydrophobicContact CB-CG 3.9Å |
| 100 | L | 92.3 | Very high | 91 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -97.2 | 0.6 | 177 | -64.2 | 175 | 0 | 0 | 0 | 112.8 | Y67 S97 C98 | Y67-L100 HydrophobicContact CD2-CD1 3.97Å; Y67-L100 HydrophobicContact CE2-CB 3.95Å; Y67-L100 HydrophobicContact CE2-CD1 3.61Å; Y67-L100 HydrophobicContact CE2-CG 4.39Å; S97-L100 WeakPolarHBondContact O-CB 3.44Å; S97-L100 PolarHBondContact O-N 2.79Å; C98-L100 VanDerWaalsContact C-N 3.26Å; C98-L100 PolarHBondContact O-N 2.89Å |
| 101 | V | 91.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -62.9 | 142.7 | 178 | 171 | 0 | 0 | 0 | 0 | 110.2 | R96 S97 C98 N105 H106 T135 C137 | R96-V101 HydrophobicContact CG-CG2 4.42Å; S97-V101 PolarHBondContact O-N 2.93Å; C98-V101 WeakPolarHBondContact O-CB 3.06Å; C98-V101 WeakPolarHBondContact O-CG2 3.31Å; C98-V101 PolarHBondContact O-N 2.03Å; V101-N105 HydrophobicContact CG1-CB 3.29Å; V101-H106 PolarHBondContact O-CE1 2.86Å; V101-H106 PolarHBondContact O-ND1 3.41Å; V101-T135 HydrophobicContact CG1-CG2 4.2Å; V101-T135 HydrophobicContact CG2-CG2 4.25Å; V101-C137 HydrophobicContact CG2-CB 3.95Å |
| 102 | H | 91.5 | Very high | 89 | Confident | 126 Ų | 126 | 59 Ų | 59 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | trans | -58 | 150.3 | 179.7 | -170.2 | -103.3 | 0 | 0 | 0 | 111.9 | S104 N105 H106 | H102-S104 PolarHBondContact ND1-N 3.12Å; H102-S104 PolarHBondContact ND1-OG 2.88Å; H102-S104 PolarHBondContact O-N 2.97Å; H102-N105 PolarHBondContact O-N 2.89Å; H102-H106 PolarHBondContact O-CE1 3.21Å; H102-H106 PolarHBondContact O-ND1 2.93Å | ||
| 103 | S | 88.3 | Confident | 87.6 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.8 | -177.1 | -55.4 | 0 | 0 | 0 | 0 | 115.2 | N105 H106 | S103-N105 VanDerWaalsContact C-N 3.34Å; S103-H106 WeakPolarHBondContact CA-CE1 3.07Å |
| 104 | S | 89.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.6 | 172.4 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | H102 N132 | H102-S104 PolarHBondContact ND1-N 3.12Å; H102-S104 PolarHBondContact ND1-OG 2.88Å; H102-S104 PolarHBondContact O-N 2.97Å; S104-N132 PolarHBondContact O-ND2 3.32Å |
| 105 | N | 90.6 | Very high | 84.7 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -110.9 | 11.3 | -169.1 | -66.9 | 8.6 | 0 | 0 | 0 | 112.1 | V101 H102 S103 N132 | V101-N105 HydrophobicContact CG1-CB 3.29Å; H102-N105 PolarHBondContact O-N 2.89Å; S103-N105 VanDerWaalsContact C-N 3.34Å; N105-N132 VanDerWaalsContact C-CG 3.46Å; N105-N132 WeakPolarHBondContact CA-ND2 3.32Å; N105-N132 PolarHBondContact O-N 3.44Å; N105-N132 PolarHBondContact O-OD1 2.83Å |
| 106 | H | 91.5 | Very high | 82.9 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 6% | 0.06 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.4 | 169 | 61.2 | -92.4 | 0 | 0 | 0 | 110.6 | V101 H102 S103 H130 V131 F143 K145 | V101-H106 PolarHBondContact O-CE1 2.86Å; V101-H106 PolarHBondContact O-ND1 3.41Å; H102-H106 PolarHBondContact O-CE1 3.21Å; H102-H106 PolarHBondContact O-ND1 2.93Å; S103-H106 WeakPolarHBondContact CA-CE1 3.07Å; H106-H130 CarbonylContact C-O 3.58Å; H106-H130 WeakPolarHBondContact CA-O 3.06Å; H106-H130 WeakPolarHBondContact CB-O 3.21Å; H106-V131 HydrophobicContact CB-CG2 4.49Å; H106-F143 HydrophobicContact CB-CE1 4.43Å; H106-F143 HydrophobicContact CB-CZ 4.23Å; H106-F143 AromaticContact CG-CZ 3.98Å; H106-K145 PolarHBondContact CE1-NZ 2.93Å; H106-K145 PolarHBondContact NE2-NZ 3.37Å |
| 107 | I | 90.9 | Very high | 81.1 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.4 | 178.4 | -60.1 | 170.3 | 0 | 0 | 0 | 107.6 | C129 H130 | I107-C129 CarbonylContact O-C 3.47Å; I107-C129 VanDerWaalsContact O-CA 3.31Å; I107-C129 WeakPolarHBondContact O-CA 3.08Å; I107-H130 PolarHBondContact N-O 3.4Å; I107-H130 PolarHBondContact O-N 3.36Å |
| 108 | C | 89.3 | Confident | 79.1 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 25% | 0.25 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 143.6 | 177.1 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | T127 C129 V147 | C108-T127 HydrophobicContact CB-CG2 3.71Å; C108-C129 HydrophobicContact CB-CB 4.04Å; C108-C129 WeakPolarHBondContact CB-SG 3.22Å; C108-C129 WeakPolarHBondContact SG-CB 3.47Å; C108-C129 CovalentContact SG-SG 2.04Å; C108-C129 PolarHBondContact SG-SG 3.07Å; C108-V147 HydrophobicContact CB-CG1 4.23Å |
| 109 | E | 85.5 | Confident | 77.2 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 29% | 0.285 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 131.2 | 173.2 | -72.7 | 178 | -178.6 | 0 | 0 | 110.1 | L32 V111 T127 L128 | L32-E109 HydrophobicContact CD1-CG 4.04Å; L32-E109 HydrophobicContact CD2-CG 4.16Å; L32-E109 WeakPolarHBondContact CD2-OE1 3.02Å; E109-V111 PolarHBondContact O-N 2.96Å; E109-T127 WeakPolarHBondContact CB-OG1 3.45Å; E109-T127 PolarHBondContact O-OG1 3.22Å; E109-L128 HydrophobicContact CG-CB 4.31Å; E109-L128 PolarHBondContact N-O 3.17Å |
| 110 | P | 78.2 | Confident | 75.4 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 57% | 0.571 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 130.2 | 179 | 28.5 | -35.1 | 0 | 0 | 0 | 110.8 | F112 | P110-F112 HydrophobicContact CB-CD2 4.36Å; P110-F112 HydrophobicContact CB-CE1 4.1Å; P110-F112 HydrophobicContact CB-CE2 3.63Å; P110-F112 HydrophobicContact CB-CZ 3.47Å; P110-F112 VanDerWaalsContact CB-CZ 3.47Å; P110-F112 HydrophobicContact CG-CD2 4.35Å; P110-F112 HydrophobicContact CG-CE2 3.4Å; P110-F112 VanDerWaalsContact CG-CE2 3.4Å; P110-F112 HydrophobicContact CG-CZ 3.58Å |
| 111 | V | 75.1 | Confident | 73.7 | Confident | 26 Ų | 26 | 73 Ų | 73 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | trans | -92.6 | 107 | 177.6 | -175 | 0 | 0 | 0 | 0 | 109.5 | E109 I125 V147 | E109-V111 PolarHBondContact O-N 2.96Å; V111-I125 HydrophobicContact CG1-CB 4.31Å; V111-I125 HydrophobicContact CG1-CD1 3.71Å; V111-I125 HydrophobicContact CG1-CG2 3.97Å; V111-I125 HydrophobicContact CG2-CG2 4.32Å; V111-V147 HydrophobicContact CG2-CG2 3.83Å | ||
| 112 | F | 66.7 | Low | 72.1 | Confident | 115 Ų | 115 | 79.8 Ų | 79.8 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | trans | -101.5 | -23.7 | 178.6 | -57.7 | -68.7 | 0 | 0 | 0 | 114 | P110 C114 | P110-F112 HydrophobicContact CB-CD2 4.36Å; P110-F112 HydrophobicContact CB-CE1 4.1Å; P110-F112 HydrophobicContact CB-CE2 3.63Å; P110-F112 HydrophobicContact CB-CZ 3.47Å; P110-F112 VanDerWaalsContact CB-CZ 3.47Å; P110-F112 HydrophobicContact CG-CD2 4.35Å; P110-F112 HydrophobicContact CG-CE2 3.4Å; P110-F112 VanDerWaalsContact CG-CE2 3.4Å; P110-F112 HydrophobicContact CG-CZ 3.58Å; F112-C114 PolarHBondContact O-N 2.9Å | ||
| 113 | N | 64.5 | Low | 70.8 | Confident | 160 Ų | 160 | 77.1 Ų | 77.1 | 86% | 0.856 | 45% | 0.446 | S | S | * | . | trans | -83 | 42.7 | -177.5 | -73.6 | -22.3 | 0 | 0 | 0 | 112.7 | S115 | N113-S115 PolarHBondContact O-N 2.77Š| ||
| 114 | C | 66.5 | Low | 70.2 | Confident | 17 Ų | 17 | 78.4 Ų | 78.4 | 12% | 0.115 | 45% | 0.445 | C | S | . | . | trans | -79 | 110.2 | 168.1 | -50.2 | 0 | 0 | 0 | 0 | 107.1 | F112 C149 W151 | F112-C114 PolarHBondContact O-N 2.9Å; C114-C149 HydrophobicContact CB-CB 4.04Å; C114-C149 WeakPolarHBondContact CB-SG 3.41Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 1.99Å; C114-C149 PolarHBondContact SG-SG 2.04Å; C114-W151 HydrophobicContact CB-CD2 3.94Å; C114-W151 HydrophobicContact CB-CE3 3.62Å; C114-W151 HydrophobicContact CB-CH2 3.57Å; C114-W151 HydrophobicContact CB-CZ2 3.87Å; C114-W151 HydrophobicContact CB-CZ3 3.45Å; C114-W151 VanDerWaalsContact CB-CZ3 3.45Å; C114-W151 WeakPolarHBondContact O-CZ3 3.48Å | ||
| 115 | S | 59.5 | Low | 69.6 | Low | 51 Ų | 51 | 76.7 Ų | 76.7 | 36% | 0.357 | 43% | 0.429 | S | S | . | . | trans | -92.1 | 130.6 | 171.5 | 78.2 | 0 | 0 | 0 | 0 | 108.6 | N113 Y117 A118 W151 | N113-S115 PolarHBondContact O-N 2.77Å; S115-Y117 PolarHBondContact O-N 3.37Å; S115-A118 PolarHBondContact O-N 3.1Å; S115-A118 WeakPolarHBondContact OG-CB 3.44Å; S115-A118 PolarHBondContact OG-N 3.33Å; S115-W151 WeakPolarHBondContact O-CH2 3.32Å | ||
| 116 | V | 55.9 | Low | 69.3 | Low | 103 Ų | 103 | 78.8 Ų | 78.8 | 62% | 0.624 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -21.5 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | W151 | V116-W151 HydrophobicContact CB-CH2 4.5Å; V116-W151 HydrophobicContact CB-CZ3 4.28Å; V116-W151 HydrophobicContact CG2-CE3 4.24Å; V116-W151 HydrophobicContact CG2-CH2 4.31Å; V116-W151 HydrophobicContact CG2-CZ3 3.64Å; V116-W151 VanDerWaalsContact N-CZ3 3.33Å |
| 117 | Y | 56 | Low | 69 | Low | 153 Ų | 153 | 78.5 Ų | 78.5 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -16.1 | -179.4 | -61.5 | -75.5 | 0 | 0 | 0 | 115.7 | S115 L179 | S115-Y117 PolarHBondContact O-N 3.37Å; Y117-L179 HydrophobicContact CE2-CD2 4.4Å; Y117-L179 WeakPolarHBondContact OH-CD2 3.36Å |
| 118 | A | 52.1 | Low | 69 | Low | 76 Ų | 76 | 76 Ų | 76 | 63% | 0.628 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S115 | S115-A118 PolarHBondContact O-N 3.1Å; S115-A118 WeakPolarHBondContact OG-CB 3.44Å; S115-A118 PolarHBondContact OG-N 3.33Å |
| 119 | A | 53.9 | Low | 69.1 | Low | 17 Ų | 17 | 74.3 Ų | 74.3 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -140.6 | 114.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D123 | A119-D123 WeakPolarHBondContact CA-OD2 3.39Å; A119-D123 HydrophobicContact CB-CB 4.03Å |
| 120 | P | 54.3 | Low | 69.5 | Low | 81 Ų | 81 | 74.3 Ų | 74.3 | 53% | 0.526 | 42% | 0.42 | S | S | . | . | trans | -42.6 | 146 | 162.8 | -15.5 | 2.8 | 0 | 0 | 0 | 111.8 | N122 D123 | P120-N122 PolarHBondContact O-N 3.38Å; P120-D123 WeakPolarHBondContact CD-OD2 3.34Å; P120-D123 WeakPolarHBondContact CG-OD1 3.39Å; P120-D123 WeakPolarHBondContact CG-OD2 3.12Å; P120-D123 WeakPolarHBondContact O-CB 3.32Å; P120-D123 PolarHBondContact O-N 3.49Å | ||
| 121 | P | 55.5 | Low | 70.2 | Confident | 117 Ų | 117 | 70.5 Ų | 70.5 | 76% | 0.76 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -8 | -175 | 18.9 | -30 | 0 | 0 | 0 | 115.3 | ||
| 122 | N | 58.8 | Low | 71 | Confident | 146 Ų | 146 | 71.7 Ų | 71.7 | 78% | 0.781 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 6.3 | 178.2 | -68.5 | -20.6 | 0 | 0 | 0 | 114.1 | P120 M124 | P120-N122 PolarHBondContact O-N 3.38Å; N122-M124 PolarHBondContact O-N 3.2Å; N122-M124 VanDerWaalsContact O-N 3.14Å |
| 123 | D | 64.8 | Low | 72.1 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | trans | -74.6 | 111.1 | -175.9 | -78.6 | -0.9 | 0 | 0 | 0 | 111 | A119 P120 I125 | A119-D123 WeakPolarHBondContact CA-OD2 3.39Å; A119-D123 HydrophobicContact CB-CB 4.03Å; P120-D123 WeakPolarHBondContact CD-OD2 3.34Å; P120-D123 WeakPolarHBondContact CG-OD1 3.39Å; P120-D123 WeakPolarHBondContact CG-OD2 3.12Å; P120-D123 WeakPolarHBondContact O-CB 3.32Å; P120-D123 PolarHBondContact O-N 3.49Å; D123-I125 PolarHBondContact O-N 2.99Å | ||
| 124 | M | 74.9 | Confident | 73.2 | Confident | 106 Ų | 106 | 69.7 Ų | 69.7 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 112.7 | 168.3 | -49.4 | 179.1 | 176.5 | 0 | 0 | 108.2 | N122 K146 V147 | N122-M124 PolarHBondContact O-N 3.2Å; N122-M124 VanDerWaalsContact O-N 3.14Å; M124-K146 HydrophobicContact CB-CB 3.58Å; M124-K146 HydrophobicContact CB-CD 4.24Å; M124-K146 HydrophobicContact CB-CG 4.49Å; M124-K146 HydrophobicContact SD-CB 4.36Å; M124-V147 CarbonylContact C-O 3.55Å; M124-V147 VanDerWaalsContact CA-O 3.31Å; M124-V147 WeakPolarHBondContact CA-O 3.07Å |
| 125 | I | 77.1 | Confident | 74.4 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 20% | 0.2 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.7 | -176.8 | -60.3 | 172.4 | 0 | 0 | 0 | 108.5 | V111 D123 T127 K146 V147 C149 | V111-I125 HydrophobicContact CG1-CB 4.31Å; V111-I125 HydrophobicContact CG1-CD1 3.71Å; V111-I125 HydrophobicContact CG1-CG2 3.97Å; V111-I125 HydrophobicContact CG2-CG2 4.32Å; D123-I125 PolarHBondContact O-N 2.99Å; I125-T127 PolarHBondContact O-N 2.69Å; I125-K146 WeakPolarHBondContact O-CA 3.36Å; I125-V147 PolarHBondContact N-O 2.92Å; I125-V147 PolarHBondContact O-N 3.35Å; I125-C149 HydrophobicContact CD1-CB 3.97Å |
| 126 | P | 83.9 | Confident | 76 | Confident | 87 Ų | 87 | 68 Ų | 68 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.5 | 172.7 | 28.4 | -33.2 | 0 | 0 | 0 | 109.8 | ||
| 127 | T | 86.4 | Confident | 77.8 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 158 | 174.4 | -163.4 | 0 | 0 | 0 | 0 | 110.1 | C108 E109 I125 Y144 K145 V147 | C108-T127 HydrophobicContact CB-CG2 3.71Å; E109-T127 WeakPolarHBondContact CB-OG1 3.45Å; E109-T127 PolarHBondContact O-OG1 3.22Å; I125-T127 PolarHBondContact O-N 2.69Å; T127-Y144 WeakPolarHBondContact O-CA 3.22Å; T127-K145 PolarHBondContact N-O 3.27Å; T127-K145 PolarHBondContact O-N 2.88Å; T127-V147 HydrophobicContact CG2-CB 4.11Å; T127-V147 HydrophobicContact CG2-CG1 3.55Å; T127-V147 HydrophobicContact CG2-CG2 3.41Å; T127-V147 VanDerWaalsContact CG2-CG2 3.41Å |
| 128 | L | 91 | Very high | 79.5 | Confident | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 132.2 | 174.1 | -172.5 | 64.4 | 0 | 0 | 0 | 109.4 | E109 H130 A142 Y144 | E109-L128 HydrophobicContact CG-CB 4.31Å; E109-L128 PolarHBondContact N-O 3.17Å; L128-H130 WeakPolarHBondContact CD2-NE2 3.47Å; L128-A142 HydrophobicContact CD1-CB 4.35Å; L128-Y144 HydrophobicContact CB-CE1 4.27Å; L128-Y144 HydrophobicContact CD1-CD1 4.47Å; L128-Y144 HydrophobicContact CD1-CE1 4.16Å; L128-Y144 HydrophobicContact CD1-CE2 4.47Å |
| 129 | C | 91.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.8 | 176.7 | -52.2 | 0 | 0 | 0 | 0 | 110.8 | I107 C108 A142 F143 K145 | I107-C129 CarbonylContact O-C 3.47Å; I107-C129 VanDerWaalsContact O-CA 3.31Å; I107-C129 WeakPolarHBondContact O-CA 3.08Å; C108-C129 HydrophobicContact CB-CB 4.04Å; C108-C129 WeakPolarHBondContact CB-SG 3.22Å; C108-C129 WeakPolarHBondContact SG-CB 3.47Å; C108-C129 CovalentContact SG-SG 2.04Å; C108-C129 PolarHBondContact SG-SG 3.07Å; C129-A142 CarbonylContact O-C 3.46Å; C129-A142 VanDerWaalsContact O-CA 3.32Å; C129-A142 WeakPolarHBondContact O-CA 3.46Å; C129-F143 HydrophobicContact CB-CD2 4.43Å; C129-F143 HydrophobicContact CB-CE1 4.41Å; C129-F143 HydrophobicContact CB-CE2 4.03Å; C129-F143 HydrophobicContact CB-CZ 4.02Å; C129-F143 PolarHBondContact N-O 3.01Å; C129-F143 PolarHBondContact O-N 2.81Å; C129-K145 VanDerWaalsContact SG-CB 3.51Å |
| 130 | H | 92.5 | Very high | 83.1 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.9 | -179.4 | -63 | -88.4 | 0 | 0 | 0 | 110 | H106 I107 L128 R141 | H106-H130 CarbonylContact C-O 3.58Å; H106-H130 WeakPolarHBondContact CA-O 3.06Å; H106-H130 WeakPolarHBondContact CB-O 3.21Å; I107-H130 PolarHBondContact N-O 3.4Å; I107-H130 PolarHBondContact O-N 3.36Å; L128-H130 WeakPolarHBondContact CD2-NE2 3.47Å; H130-R141 WeakPolarHBondContact CA-O 3.36Å |
| 131 | V | 93.7 | Very high | 84.8 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.4 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | C98 H106 T135 R141 F143 | C98-V131 HydrophobicContact CB-CG2 3.91Å; H106-V131 HydrophobicContact CB-CG2 4.49Å; V131-T135 HydrophobicContact CG1-CG2 4.05Å; V131-R141 PolarHBondContact N-O 3.36Å; V131-R141 PolarHBondContact O-NH2 3.33Å; V131-R141 VanDerWaalsContact O-NH2 3.13Å; V131-F143 HydrophobicContact CG2-CD1 4.31Å; V131-F143 HydrophobicContact CG2-CE1 3.69Å |
| 132 | N | 92.1 | Very high | 86.5 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | trans | -55.4 | 141.5 | 177.6 | -65.5 | 5.6 | 0 | 0 | 0 | 111.8 | S104 N105 E134 T135 R141 | S104-N132 PolarHBondContact O-ND2 3.32Å; N105-N132 VanDerWaalsContact C-CG 3.46Å; N105-N132 WeakPolarHBondContact CA-ND2 3.32Å; N105-N132 PolarHBondContact O-N 3.44Å; N105-N132 PolarHBondContact O-OD1 2.83Å; N132-E134 PolarHBondContact O-N 3.38Å; N132-T135 PolarHBondContact O-N 3.04Å; N132-R141 VanDerWaalsContact C-NH2 3.29Å; N132-R141 PolarHBondContact O-NH2 3.13Å | ||
| 133 | D | 89.5 | Confident | 88.1 | Confident | 55 Ų | 55 | 56 Ų | 56 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.1 | -173.4 | -68.6 | -40 | 0 | 0 | 0 | 114.8 | P53 A54 S55 | P53-D133 CarbonylContact C-O 3.54Å; P53-D133 HydrophobicContact CB-CB 4.08Å; P53-D133 WeakPolarHBondContact CB-O 3.5Å; A54-D133 VanDerWaalsContact CA-O 3.32Å; A54-D133 WeakPolarHBondContact CA-O 3.38Å; A54-D133 WeakPolarHBondContact CB-O 3.45Å; A54-D133 PolarHBondContact N-O 3.22Å; S55-D133 WeakPolarHBondContact CB-OD1 3.32Å; S55-D133 PolarHBondContact N-O 2.88Å; S55-D133 WeakPolarHBondContact OG-CB 3.39Å; S55-D133 VanDerWaalsContact OG-CG 3.26Å; S55-D133 PolarHBondContact OG-OD1 3.16Å |
| 134 | E | 88 | Confident | 89.3 | Confident | 177 Ų | 177 | 61.3 Ų | 61.3 | 83% | 0.827 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -20.9 | 179 | -61.1 | 178.6 | 174.1 | 0 | 0 | 113.5 | N132 | N132-E134 PolarHBondContact O-N 3.38Š|
| 135 | T | 91.7 | Very high | 89.9 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | trans | -86.7 | 122.3 | -173.9 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | A54 V101 V131 N132 R141 | A54-T135 WeakPolarHBondContact CB-O 3.48Å; V101-T135 HydrophobicContact CG1-CG2 4.2Å; V101-T135 HydrophobicContact CG2-CG2 4.25Å; V131-T135 HydrophobicContact CG1-CG2 4.05Å; N132-T135 PolarHBondContact O-N 3.04Å; T135-R141 PolarHBondContact O-NH1 2.92Å | ||
| 136 | I | 92.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | trans | -86.5 | 127.3 | 170.9 | -55.9 | 169.4 | 0 | 0 | 0 | 108.8 | A54 C59 F61 V73 R91 T93 | A54-I136 HydrophobicContact CB-CB 4.33Å; A54-I136 HydrophobicContact CB-CG1 3.46Å; A54-I136 VanDerWaalsContact CB-CG1 3.46Å; C59-I136 HydrophobicContact CB-CG2 4.02Å; F61-I136 HydrophobicContact CE2-CG2 4.34Å; F61-I136 HydrophobicContact CZ-CG2 3.91Å; V73-I136 HydrophobicContact CG2-CG2 4.29Å; R91-I136 HydrophobicContact CB-CD1 3.58Å; R91-I136 HydrophobicContact CG-CD1 3.83Å; T93-I136 HydrophobicContact CG2-CB 4.24Å; T93-I136 HydrophobicContact CG2-CG2 4Å; T93-I136 PolarHBondContact OG1-O 2.62Å | ||
| 137 | C | 94 | Very high | 90.3 | Very high | 14 Ų | 14 | 62 Ų | 62 | 10% | 0.095 | 31% | 0.307 | C | S | . | . | trans | -147.7 | 158.3 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | C98 V101 | C98-C137 WeakPolarHBondContact CA-SG 3.32Å; C98-C137 HydrophobicContact CB-CB 3.89Å; C98-C137 WeakPolarHBondContact CB-SG 3.11Å; C98-C137 VanDerWaalsContact SG-C 3.52Å; C98-C137 WeakPolarHBondContact SG-CB 3.44Å; C98-C137 CovalentContact SG-SG 2.03Å; C98-C137 PolarHBondContact SG-SG 3.26Å; V101-C137 HydrophobicContact CG2-CB 3.95Å | ||
| 138 | L | 91.7 | Very high | 90 | Very high | 75 Ų | 75 | 71.7 Ų | 71.7 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -82.1 | 133.6 | 178.8 | -177 | 75.2 | 0 | 0 | 0 | 111 | F61 R96 S97 C98 | F61-L138 HydrophobicContact CB-CD1 4.11Å; F61-L138 HydrophobicContact CD2-CB 4.32Å; F61-L138 HydrophobicContact CD2-CD1 3.62Å; F61-L138 HydrophobicContact CE2-CB 4.15Å; F61-L138 HydrophobicContact CE2-CD1 4.21Å; F61-L138 HydrophobicContact CG-CD1 3.93Å; F61-L138 HydrophobicContact CZ-CB 4.3Å; R96-L138 PolarHBondContact O-N 2.75Å; S97-L138 CarbonylContact C-O 3.56Å; S97-L138 VanDerWaalsContact CA-O 3.31Å; S97-L138 WeakPolarHBondContact CA-O 3.29Å; C98-L138 PolarHBondContact N-O 3.27Å; C98-L138 PolarHBondContact SG-O 2.72Å; C98-L138 VanDerWaalsContact SG-O 3.37Å |
| 139 | G | 90.5 | Very high | 89.2 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 63% | 0.629 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 91 | -153.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 140 | R | 89.6 | Confident | 88.2 | Confident | 165 Ų | 165 | 76.6 Ų | 76.6 | 62% | 0.623 | 37% | 0.37 | S | S | * | . | trans | -78.4 | 129.5 | -174.4 | -67.4 | -177 | 173.2 | -162.6 | -5.1 | 111.8 | C98 A142 V251 | C98-R140 WeakPolarHBondContact CB-O 3.35Å; R140-A142 PolarHBondContact O-N 2.7Å; R140-V251 VanDerWaalsContact CZ-CG1 3.46Å; R140-V251 VanDerWaalsContact NH1-CG1 3.3Å | ||
| 141 | R | 90.5 | Very high | 86.8 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 22% | 0.219 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -71.5 | -15.6 | 177.4 | -59.2 | -179.3 | 64.8 | 80.9 | 12.2 | 114 | A54 H130 V131 N132 T135 | A54-R141 PolarHBondContact O-NH1 2.78Å; H130-R141 WeakPolarHBondContact CA-O 3.36Å; V131-R141 PolarHBondContact N-O 3.36Å; V131-R141 PolarHBondContact O-NH2 3.33Å; V131-R141 VanDerWaalsContact O-NH2 3.13Å; N132-R141 VanDerWaalsContact C-NH2 3.29Å; N132-R141 PolarHBondContact O-NH2 3.13Å; T135-R141 PolarHBondContact O-NH1 2.92Å |
| 142 | A | 91.7 | Very high | 85.2 | Confident | 45 Ų | 45 | 82 Ų | 82 | 37% | 0.372 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L128 C129 R140 | L128-A142 HydrophobicContact CD1-CB 4.35Å; C129-A142 CarbonylContact O-C 3.46Å; C129-A142 VanDerWaalsContact O-CA 3.32Å; C129-A142 WeakPolarHBondContact O-CA 3.46Å; R140-A142 PolarHBondContact O-N 2.7Å |
| 143 | F | 92.7 | Very high | 83.6 | Confident | 23 Ų | 23 | 82.9 Ų | 82.9 | 10% | 0.101 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 156.6 | -176.3 | 62.9 | -88.6 | 0 | 0 | 0 | 111.5 | C98 F99 H106 C129 V131 K145 | C98-F143 VanDerWaalsContact O-CE1 3.29Å; C98-F143 WeakPolarHBondContact O-CE1 3.05Å; F99-F143 HydrophobicContact CB-CB 4.28Å; F99-F143 HydrophobicContact CB-CD1 4.37Å; F99-F143 HydrophobicContact CB-CD2 3.81Å; F99-F143 HydrophobicContact CB-CE2 4.22Å; F99-F143 HydrophobicContact CB-CG 3.9Å; H106-F143 HydrophobicContact CB-CE1 4.43Å; H106-F143 HydrophobicContact CB-CZ 4.23Å; H106-F143 AromaticContact CG-CZ 3.98Å; C129-F143 HydrophobicContact CB-CD2 4.43Å; C129-F143 HydrophobicContact CB-CE1 4.41Å; C129-F143 HydrophobicContact CB-CE2 4.03Å; C129-F143 HydrophobicContact CB-CZ 4.02Å; C129-F143 PolarHBondContact N-O 3.01Å; C129-F143 PolarHBondContact O-N 2.81Å; V131-F143 HydrophobicContact CG2-CD1 4.31Å; V131-F143 HydrophobicContact CG2-CE1 3.69Å; F143-K145 HydrophobicContact CD2-CB 4.41Å; F143-K145 HydrophobicContact CE2-CB 4.11Å; F143-K145 HydrophobicContact CE2-CD 4.25Å |
| 144 | Y | 89.9 | Confident | 82.2 | Confident | 182 Ų | 182 | 83.5 Ų | 83.5 | 71% | 0.714 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.6 | 176.2 | -70.9 | -78.6 | 0 | 0 | 0 | 111.1 | T127 L128 | T127-Y144 WeakPolarHBondContact O-CA 3.22Å; L128-Y144 HydrophobicContact CB-CE1 4.27Å; L128-Y144 HydrophobicContact CD1-CD1 4.47Å; L128-Y144 HydrophobicContact CD1-CE1 4.16Å; L128-Y144 HydrophobicContact CD1-CE2 4.47Å |
| 145 | K | 88.2 | Confident | 80.8 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.2 | 173.6 | -168 | 171.2 | 175.1 | 173.7 | 0 | 109.6 | H106 T127 C129 F143 V147 | H106-K145 PolarHBondContact CE1-NZ 2.93Å; H106-K145 PolarHBondContact NE2-NZ 3.37Å; T127-K145 PolarHBondContact N-O 3.27Å; T127-K145 PolarHBondContact O-N 2.88Å; C129-K145 VanDerWaalsContact SG-CB 3.51Å; F143-K145 HydrophobicContact CD2-CB 4.41Å; F143-K145 HydrophobicContact CE2-CB 4.11Å; F143-K145 HydrophobicContact CE2-CD 4.25Å; K145-V147 PolarHBondContact O-N 2.82Å |
| 146 | K | 85.5 | Confident | 79.7 | Confident | 148 Ų | 148 | 85.3 Ų | 85.3 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 116.4 | 172.1 | -58.7 | -170.1 | -177.7 | 179.3 | 0 | 109 | M124 I125 | M124-K146 HydrophobicContact CB-CB 3.58Å; M124-K146 HydrophobicContact CB-CD 4.24Å; M124-K146 HydrophobicContact CB-CG 4.49Å; M124-K146 HydrophobicContact SD-CB 4.36Å; I125-K146 WeakPolarHBondContact O-CA 3.36Å |
| 147 | V | 83 | Confident | 78.6 | Confident | 33 Ų | 33 | 92 Ų | 92 | 20% | 0.2 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153 | 178 | -63.8 | 0 | 0 | 0 | 0 | 110 | C108 V111 M124 I125 T127 K145 | C108-V147 HydrophobicContact CB-CG1 4.23Å; V111-V147 HydrophobicContact CG2-CG2 3.83Å; M124-V147 CarbonylContact C-O 3.55Å; M124-V147 VanDerWaalsContact CA-O 3.31Å; M124-V147 WeakPolarHBondContact CA-O 3.07Å; I125-V147 PolarHBondContact N-O 2.92Å; I125-V147 PolarHBondContact O-N 3.35Å; T127-V147 HydrophobicContact CG2-CB 4.11Å; T127-V147 HydrophobicContact CG2-CG1 3.55Å; T127-V147 HydrophobicContact CG2-CG2 3.41Å; T127-V147 VanDerWaalsContact CG2-CG2 3.41Å; K145-V147 PolarHBondContact O-N 2.82Å |
| 148 | R | 79.5 | Confident | 77.7 | Confident | 210 Ų | 210 | 98.7 Ų | 98.7 | 79% | 0.792 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 138.7 | 170.7 | -68.1 | -161.7 | 178.3 | 113.9 | -0.2 | 109.1 | N150 | R148-N150 PolarHBondContact O-N 3.4Å |
| 149 | C | 74.9 | Confident | 77 | Confident | 22 Ų | 22 | 99.9 Ų | 99.9 | 15% | 0.149 | 48% | 0.484 | C | S | . | . | trans | -59.8 | 126.5 | 169.2 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | C114 I125 W151 | C114-C149 HydrophobicContact CB-CB 4.04Å; C114-C149 WeakPolarHBondContact CB-SG 3.41Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 1.99Å; C114-C149 PolarHBondContact SG-SG 2.04Å; I125-C149 HydrophobicContact CD1-CB 3.97Å; C149-W151 VanDerWaalsContact SG-CE2 3.58Å | ||
| 150 | N | 70.4 | Confident | 76.1 | Confident | 119 Ų | 119 | 97.6 Ų | 97.6 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | trans | -92.3 | 100 | 166.2 | -165.8 | -1.7 | 0 | 0 | 0 | 108.6 | R148 T152 | R148-N150 PolarHBondContact O-N 3.4Å; N150-T152 PolarHBondContact O-N 2.95Å | ||
| 151 | W | 62.9 | Low | 75.6 | Confident | 99 Ų | 99 | 93.7 Ų | 93.7 | 38% | 0.375 | 45% | 0.45 | S | S | . | . | trans | -70.1 | 92.9 | 178.7 | -64.5 | 94.7 | 0 | 0 | 0 | 110.1 | C114 S115 V116 C149 | C114-W151 HydrophobicContact CB-CD2 3.94Å; C114-W151 HydrophobicContact CB-CE3 3.62Å; C114-W151 HydrophobicContact CB-CH2 3.57Å; C114-W151 HydrophobicContact CB-CZ2 3.87Å; C114-W151 HydrophobicContact CB-CZ3 3.45Å; C114-W151 VanDerWaalsContact CB-CZ3 3.45Å; C114-W151 WeakPolarHBondContact O-CZ3 3.48Å; S115-W151 WeakPolarHBondContact O-CH2 3.32Å; V116-W151 HydrophobicContact CB-CH2 4.5Å; V116-W151 HydrophobicContact CB-CZ3 4.28Å; V116-W151 HydrophobicContact CG2-CE3 4.24Å; V116-W151 HydrophobicContact CG2-CH2 4.31Å; V116-W151 HydrophobicContact CG2-CZ3 3.64Å; V116-W151 VanDerWaalsContact N-CZ3 3.33Å; C149-W151 VanDerWaalsContact SG-CE2 3.58Å | ||
| 152 | T | 60.5 | Low | 75.1 | Confident | 83 Ų | 83 | 92.4 Ų | 92.4 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | trans | -105.7 | 92 | 160 | 54.1 | 0 | 0 | 0 | 0 | 106.4 | N150 G154 | N150-T152 PolarHBondContact O-N 2.95Å; T152-G154 PolarHBondContact O-N 3.21Å | ||
| 153 | S | 58.1 | Low | 74.3 | Confident | 71 Ų | 71 | 93 Ų | 93 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | trans | -62.5 | 3.4 | -176.9 | -166.6 | 0 | 0 | 0 | 0 | 113.5 | Y155 | S153-Y155 VanDerWaalsContact O-CD2 3.23Å; S153-Y155 WeakPolarHBondContact O-CD2 3.5Å; S153-Y155 PolarHBondContact O-N 3.49Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 154 | G | 59.6 | Low | 73.3 | Confident | 68 Ų | 68 | 94.1 Ų | 94.1 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 65.6 | -21 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T152 K156 | T152-G154 PolarHBondContact O-N 3.21Å; G154-K156 PolarHBondContact O-N 2.71Å |
| 155 | Y | 59.3 | Low | 72.8 | Confident | 95 Ų | 95 | 91.2 Ų | 91.2 | 37% | 0.373 | 45% | 0.452 | S | S | . | . | trans | -79.3 | 110.7 | 176.3 | -57.5 | -52.4 | 0 | 0 | 0 | 110.6 | S153 Q157 Y176 L177 | S153-Y155 VanDerWaalsContact O-CD2 3.23Å; S153-Y155 WeakPolarHBondContact O-CD2 3.5Å; S153-Y155 PolarHBondContact O-N 3.49Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.45Å; Y155-Q157 PolarHBondContact O-N 2.89Å; Y155-Y176 AromaticContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD2 4.39Å; Y155-Y176 AromaticContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE1 3.43Å; Y155-Y176 VanDerWaalsContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE2 4.01Å; Y155-Y176 HydrophobicContact CD1-CG 4.32Å; Y155-Y176 AromaticContact CD1-CZ 3.5Å; Y155-Y176 WeakPolarHBondContact CD1-O 3.25Å; Y155-Y176 HydrophobicContact CE1-CD2 4.45Å; Y155-Y176 HydrophobicContact CE1-CE1 4.36Å; Y155-Y176 HydrophobicContact CE1-CE2 4.29Å; Y155-Y176 WeakPolarHBondContact CE1-O 3.44Å; Y155-Y176 VanDerWaalsContact CE2-O 3.3Å; Y155-Y176 WeakPolarHBondContact CE2-O 3.2Å; Y155-Y176 HydrophobicContact CG-CD1 4.22Å; Y155-Y176 AromaticContact CG-CE1 3.88Å; Y155-Y176 HydrophobicContact CG-CE1 3.88Å; Y155-Y176 PolarHBondContact OH-O 3.48Å; Y155-L177 HydrophobicContact CD2-CD2 4.09Å; Y155-L177 HydrophobicContact CG-CD2 4.32Å | ||
| 156 | K | 68.5 | Low | 72.3 | Confident | 135 Ų | 135 | 94.8 Ų | 94.8 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | trans | -65.1 | 127.6 | 167.9 | -61 | -171 | 176.1 | -170.1 | 0 | 108.6 | G154 W158 K159 A160 | G154-K156 PolarHBondContact O-N 2.71Å; K156-W158 PolarHBondContact O-N 2.87Å; K156-W158 VanDerWaalsContact O-N 3.15Å; K156-K159 HydrophobicContact CB-CB 4.3Å; K156-K159 HydrophobicContact CB-CG 3.94Å; K156-K159 WeakPolarHBondContact O-CA 3.13Å; K156-K159 WeakPolarHBondContact O-CB 3.03Å; K156-K159 PolarHBondContact O-N 3.12Å; K156-A160 PolarHBondContact O-N 2.95Å | ||
| 157 | Q | 70.2 | Confident | 71.5 | Confident | 158 Ų | 158 | 89.5 Ų | 89.5 | 74% | 0.738 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -52.6 | -37.2 | 174.4 | -176.4 | -175.5 | -5.3 | 0 | 0 | 111.7 | Y155 K159 A160 I161 | Y155-Q157 PolarHBondContact O-N 2.89Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 3.43Å; Q157-A160 WeakPolarHBondContact O-CB 3.44Å; Q157-A160 PolarHBondContact O-N 3.42Å; Q157-I161 HydrophobicContact CG-CD1 4.13Å; Q157-I161 WeakPolarHBondContact O-CG1 3.37Å; Q157-I161 PolarHBondContact O-N 2.94Å |
| 158 | W | 75.6 | Confident | 70.6 | Confident | 156 Ų | 156 | 90.9 Ų | 90.9 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.9 | -40.6 | 174.8 | 118.9 | -94.2 | 0 | 0 | 0 | 112 | K156 A160 I161 T162 | K156-W158 PolarHBondContact O-N 2.87Å; K156-W158 VanDerWaalsContact O-N 3.15Å; W158-A160 VanDerWaalsContact C-N 3.35Å; W158-A160 PolarHBondContact O-N 2.99Å; W158-I161 PolarHBondContact O-N 2.82Å; W158-T162 HydrophobicContact CH2-CG2 4.14Å; W158-T162 WeakPolarHBondContact CH2-OG1 3.49Å; W158-T162 HydrophobicContact CZ3-CG2 4.21Å; W158-T162 WeakPolarHBondContact CZ3-OG1 3.47Å; W158-T162 PolarHBondContact O-N 3.08Å; W158-T162 PolarHBondContact O-OG1 3.1Å |
| 159 | K | 75.2 | Confident | 70 | Confident | 99 Ų | 99 | 84 Ų | 84 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.8 | -72 | -76.6 | -161.6 | 176.2 | 0 | 111.5 | K156 Q157 T162 L163 Y176 | K156-K159 HydrophobicContact CB-CB 4.3Å; K156-K159 HydrophobicContact CB-CG 3.94Å; K156-K159 WeakPolarHBondContact O-CA 3.13Å; K156-K159 WeakPolarHBondContact O-CB 3.03Å; K156-K159 PolarHBondContact O-N 3.12Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 3.43Å; K159-T162 PolarHBondContact O-N 3.32Å; K159-L163 VanDerWaalsContact O-CB 3.24Å; K159-L163 WeakPolarHBondContact O-CB 3.15Å; K159-L163 PolarHBondContact O-N 3.19Å; K159-Y176 HydrophobicContact CB-CE1 3.73Å; K159-Y176 WeakPolarHBondContact CB-OH 3.45Å; K159-Y176 WeakPolarHBondContact CG-OH 3.31Å |
| 160 | A | 72.1 | Confident | 69.6 | Low | 13 Ų | 13 | 91.8 Ų | 91.8 | 11% | 0.107 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K156 Q157 W158 L163 S164 D173 | K156-A160 PolarHBondContact O-N 2.95Å; Q157-A160 WeakPolarHBondContact O-CB 3.44Å; Q157-A160 PolarHBondContact O-N 3.42Å; W158-A160 VanDerWaalsContact C-N 3.35Å; W158-A160 PolarHBondContact O-N 2.99Å; A160-L163 PolarHBondContact O-N 2.81Å; A160-S164 WeakPolarHBondContact O-CB 3.41Å; A160-S164 PolarHBondContact O-N 3.26Å; A160-S164 PolarHBondContact O-OG 2.86Å; A160-D173 VanDerWaalsContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CB-OD1 3.31Å |
| 161 | I | 79.3 | Confident | 69.1 | Low | 83 Ų | 83 | 88 Ų | 88 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 176 | -65.8 | 167.3 | 0 | 0 | 0 | 111.7 | Q157 W158 L163 S164 I165 | Q157-I161 HydrophobicContact CG-CD1 4.13Å; Q157-I161 WeakPolarHBondContact O-CG1 3.37Å; Q157-I161 PolarHBondContact O-N 2.94Å; W158-I161 PolarHBondContact O-N 2.82Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 PolarHBondContact O-N 3.38Å; I161-S164 PolarHBondContact O-N 2.9Å; I161-S164 PolarHBondContact O-OG 2.9Å; I161-I165 HydrophobicContact CG2-CD1 3.81Å; I161-I165 WeakPolarHBondContact O-CG1 3.41Å; I161-I165 PolarHBondContact O-N 3.05Å; I161-I165 VanDerWaalsContact O-N 3.09Å |
| 162 | T | 80.3 | Confident | 69.1 | Low | 32 Ų | 32 | 84.5 Ų | 84.5 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.1 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | W158 K159 I165 L166 | W158-T162 HydrophobicContact CH2-CG2 4.14Å; W158-T162 WeakPolarHBondContact CH2-OG1 3.49Å; W158-T162 HydrophobicContact CZ3-CG2 4.21Å; W158-T162 WeakPolarHBondContact CZ3-OG1 3.47Å; W158-T162 PolarHBondContact O-N 3.08Å; W158-T162 PolarHBondContact O-OG1 3.1Å; K159-T162 PolarHBondContact O-N 3.32Å; T162-I165 PolarHBondContact O-N 2.8Å; T162-L166 HydrophobicContact CG2-CD1 3.51Å; T162-L166 HydrophobicContact CG2-CG 4.03Å; T162-L166 VanDerWaalsContact O-CB 3.27Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.16Å; T162-L166 PolarHBondContact O-N 3.48Å |
| 163 | L | 74.6 | Confident | 69.2 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 29% | 0.293 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 179.8 | -168.3 | 67 | 0 | 0 | 0 | 111.5 | K159 A160 I161 A167 A172 Y176 | K159-L163 VanDerWaalsContact O-CB 3.24Å; K159-L163 WeakPolarHBondContact O-CB 3.15Å; K159-L163 PolarHBondContact O-N 3.19Å; A160-L163 PolarHBondContact O-N 2.81Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 PolarHBondContact O-N 3.38Å; L163-A167 HydrophobicContact CD1-CB 4.37Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 2.98Å; L163-A172 HydrophobicContact CD1-CB 4.35Å; L163-A172 HydrophobicContact CD2-CB 3.98Å; L163-A172 WeakPolarHBondContact CD2-O 3.06Å; L163-A172 HydrophobicContact CG-CB 3.94Å; L163-Y176 VanDerWaalsContact CD2-CB 3.48Å; L163-Y176 HydrophobicContact CD2-CD2 4.11Å; L163-Y176 HydrophobicContact CD2-CG 3.88Å |
| 164 | S | 72.3 | Confident | 69.5 | Low | 47 Ų | 47 | 87.1 Ų | 87.1 | 33% | 0.329 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 176.2 | 70.2 | 0 | 0 | 0 | 0 | 112.6 | A160 I161 G169 | A160-S164 WeakPolarHBondContact O-CB 3.41Å; A160-S164 PolarHBondContact O-N 3.26Å; A160-S164 PolarHBondContact O-OG 2.86Å; I161-S164 PolarHBondContact O-N 2.9Å; I161-S164 PolarHBondContact O-OG 2.9Å; S164-G169 PolarHBondContact O-N 2.91Å; S164-G169 VanDerWaalsContact O-N 3.07Å |
| 165 | I | 77.9 | Confident | 69.5 | Low | 122 Ų | 122 | 89.9 Ų | 89.9 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -73.9 | -50.7 | 177.3 | -63.4 | 168.6 | 0 | 0 | 0 | 111.2 | I161 T162 G168 | I161-I165 HydrophobicContact CG2-CD1 3.81Å; I161-I165 WeakPolarHBondContact O-CG1 3.41Å; I161-I165 PolarHBondContact O-N 3.05Å; I161-I165 VanDerWaalsContact O-N 3.09Å; T162-I165 PolarHBondContact O-N 2.8Å; I165-G168 PolarHBondContact O-N 2.96Å |
| 166 | L | 79.6 | Confident | 69.6 | Low | 142 Ų | 142 | 88.5 Ų | 88.5 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -73.8 | -34.7 | -174.1 | -66.6 | -178.2 | 0 | 0 | 0 | 113.2 | T162 G168 | T162-L166 HydrophobicContact CG2-CD1 3.51Å; T162-L166 HydrophobicContact CG2-CG 4.03Å; T162-L166 VanDerWaalsContact O-CB 3.27Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.16Å; T162-L166 PolarHBondContact O-N 3.48Å; L166-G168 PolarHBondContact O-N 3.18Å |
| 167 | A | 68.2 | Low | 69.3 | Low | 37 Ų | 37 | 85.3 Ų | 85.3 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 18.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L163 G169 F170 A172 | L163-A167 HydrophobicContact CD1-CB 4.37Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 2.98Å; A167-G169 PolarHBondContact O-N 2.04Å; A167-F170 WeakPolarHBondContact O-CB 3.35Å; A167-F170 PolarHBondContact O-N 2.83Å; A167-A172 HydrophobicContact CB-CB 3.87Å |
| 168 | G | 64.4 | Low | 68.8 | Low | 62 Ų | 62 | 79.2 Ų | 79.2 | 64% | 0.639 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 33.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I165 L166 F170 | I165-G168 PolarHBondContact O-N 2.96Å; L166-G168 PolarHBondContact O-N 3.18Å; G168-F170 PolarHBondContact O-N 3.23Å; G168-F170 VanDerWaalsContact O-N 3.12Å |
| 169 | G | 66.4 | Low | 68.1 | Low | 64 Ų | 64 | 74.3 Ų | 74.3 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S164 A167 G171 | S164-G169 PolarHBondContact O-N 2.91Å; S164-G169 VanDerWaalsContact O-N 3.07Å; A167-G169 PolarHBondContact O-N 2.04Å; G169-G171 VanDerWaalsContact C-N 3.28Å; G169-G171 PolarHBondContact O-N 2.88Å |
| 170 | F | 65.3 | Low | 67.4 | Low | 187 Ų | 187 | 75.1 Ų | 75.1 | 82% | 0.82 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -84.3 | 58.4 | -172.8 | -128.1 | -87.1 | 0 | 0 | 0 | 112.3 | A167 G168 A172 | A167-F170 WeakPolarHBondContact O-CB 3.35Å; A167-F170 PolarHBondContact O-N 2.83Å; G168-F170 PolarHBondContact O-N 3.23Å; G168-F170 VanDerWaalsContact O-N 3.12Å; F170-A172 PolarHBondContact O-N 3.32Å |
| 171 | G | 60.5 | Low | 66.4 | Low | 38 Ų | 38 | 84 Ų | 84 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 57.8 | -2.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | G169 D173 R174 F175 | G169-G171 VanDerWaalsContact C-N 3.28Å; G169-G171 PolarHBondContact O-N 2.88Å; G171-D173 PolarHBondContact O-N 3.43Å; G171-R174 WeakPolarHBondContact O-CB 3.32Å; G171-R174 PolarHBondContact O-N 3.44Å; G171-F175 WeakPolarHBondContact O-CD2 3.36Å; G171-F175 PolarHBondContact O-N 3.14Å |
| 172 | A | 63.5 | Low | 65.3 | Low | 26 Ų | 26 | 84.8 Ų | 84.8 | 22% | 0.215 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60 | -30.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L163 A167 F170 R174 F175 Y176 | L163-A172 HydrophobicContact CD1-CB 4.35Å; L163-A172 HydrophobicContact CD2-CB 3.98Å; L163-A172 WeakPolarHBondContact CD2-O 3.06Å; L163-A172 HydrophobicContact CG-CB 3.94Å; A167-A172 HydrophobicContact CB-CB 3.87Å; F170-A172 PolarHBondContact O-N 3.32Å; A172-R174 VanDerWaalsContact C-N 3.28Å; A172-R174 PolarHBondContact O-N 2.88Å; A172-F175 WeakPolarHBondContact O-CB 3.19Å; A172-F175 PolarHBondContact O-N 3.22Å; A172-F175 VanDerWaalsContact O-N 3.12Å; A172-Y176 WeakPolarHBondContact O-CB 3.41Å; A172-Y176 PolarHBondContact O-N 2.84Å |
| 173 | D | 62.7 | Low | 63.8 | Low | 47 Ų | 47 | 86.1 Ų | 86.1 | 25% | 0.251 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -36.3 | 172.4 | -169.8 | 41 | 0 | 0 | 0 | 112.7 | A160 G171 Y176 L177 | A160-D173 VanDerWaalsContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CA-OD1 3.27Å; A160-D173 WeakPolarHBondContact CB-OD1 3.31Å; G171-D173 PolarHBondContact O-N 3.43Å; D173-Y176 PolarHBondContact O-N 3.38Å; D173-L177 WeakPolarHBondContact O-CG 3.11Å; D173-L177 PolarHBondContact O-N 3.45Å |
| 174 | R | 62.9 | Low | 62.6 | Low | 163 Ų | 163 | 88.4 Ų | 88.4 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.3 | -31.5 | 174.8 | -69.7 | -127.5 | 174.2 | -178.7 | -0.9 | 113 | G171 A172 L179 | G171-R174 WeakPolarHBondContact O-CB 3.32Å; G171-R174 PolarHBondContact O-N 3.44Å; A172-R174 VanDerWaalsContact C-N 3.28Å; A172-R174 PolarHBondContact O-N 2.88Å; R174-L179 PolarHBondContact O-N 3.2Å; R174-L179 VanDerWaalsContact O-N 3.11Å |
| 175 | F | 60.9 | Low | 61.2 | Low | 125 Ų | 125 | 90.6 Ų | 90.6 | 55% | 0.548 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.3 | -38.4 | 171.7 | -67.7 | -80.7 | 0 | 0 | 0 | 111.2 | G171 A172 L177 G178 W180 | G171-F175 WeakPolarHBondContact O-CD2 3.36Å; G171-F175 PolarHBondContact O-N 3.14Å; A172-F175 WeakPolarHBondContact O-CB 3.19Å; A172-F175 PolarHBondContact O-N 3.22Å; A172-F175 VanDerWaalsContact O-N 3.12Å; F175-L177 PolarHBondContact O-N 3.27Å; F175-G178 PolarHBondContact O-N 2.94Å; F175-G178 VanDerWaalsContact O-N 3.15Å; F175-W180 HydrophobicContact CD1-CB 3.4Å; F175-W180 VanDerWaalsContact CD1-CB 3.4Å; F175-W180 HydrophobicContact CD1-CG 4.4Å; F175-W180 HydrophobicContact CE1-CB 3.7Å; F175-W180 HydrophobicContact CG-CB 4.37Å |
| 176 | Y | 62 | Low | 59.5 | Low | 67 Ų | 67 | 89.8 Ų | 89.8 | 26% | 0.263 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 178.2 | -172.9 | -106.3 | 0 | 0 | 0 | 112.1 | Y155 K159 L163 A172 D173 G178 | Y155-Y176 AromaticContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD1 3.86Å; Y155-Y176 HydrophobicContact CD1-CD2 4.39Å; Y155-Y176 AromaticContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE1 3.43Å; Y155-Y176 VanDerWaalsContact CD1-CE1 3.43Å; Y155-Y176 HydrophobicContact CD1-CE2 4.01Å; Y155-Y176 HydrophobicContact CD1-CG 4.32Å; Y155-Y176 AromaticContact CD1-CZ 3.5Å; Y155-Y176 WeakPolarHBondContact CD1-O 3.25Å; Y155-Y176 HydrophobicContact CE1-CD2 4.45Å; Y155-Y176 HydrophobicContact CE1-CE1 4.36Å; Y155-Y176 HydrophobicContact CE1-CE2 4.29Å; Y155-Y176 WeakPolarHBondContact CE1-O 3.44Å; Y155-Y176 VanDerWaalsContact CE2-O 3.3Å; Y155-Y176 WeakPolarHBondContact CE2-O 3.2Å; Y155-Y176 HydrophobicContact CG-CD1 4.22Å; Y155-Y176 AromaticContact CG-CE1 3.88Å; Y155-Y176 HydrophobicContact CG-CE1 3.88Å; Y155-Y176 PolarHBondContact OH-O 3.48Å; K159-Y176 HydrophobicContact CB-CE1 3.73Å; K159-Y176 WeakPolarHBondContact CB-OH 3.45Å; K159-Y176 WeakPolarHBondContact CG-OH 3.31Å; L163-Y176 VanDerWaalsContact CD2-CB 3.48Å; L163-Y176 HydrophobicContact CD2-CD2 4.11Å; L163-Y176 HydrophobicContact CD2-CG 3.88Å; A172-Y176 WeakPolarHBondContact O-CB 3.41Å; A172-Y176 PolarHBondContact O-N 2.84Å; D173-Y176 PolarHBondContact O-N 3.38Å; Y176-G178 PolarHBondContact O-N 2.94Å |
| 177 | L | 60.7 | Low | 57.9 | Low | 67 Ų | 67 | 93 Ų | 93 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 4.8 | 176.2 | -65 | 172 | 0 | 0 | 0 | 114.3 | Y155 D173 F175 L179 | Y155-L177 HydrophobicContact CD2-CD2 4.09Å; Y155-L177 HydrophobicContact CG-CD2 4.32Å; D173-L177 WeakPolarHBondContact O-CG 3.11Å; D173-L177 PolarHBondContact O-N 3.45Å; F175-L177 PolarHBondContact O-N 3.27Å; L177-L179 HydrophobicContact CB-CD1 3.96Å; L177-L179 HydrophobicContact CB-CG 4.1Å; L177-L179 HydrophobicContact CD1-CD1 4.34Å; L177-L179 PolarHBondContact O-N 3.14Å |
| 178 | G | 59.8 | Low | 56.6 | Low | 30 Ų | 30 | 94.4 Ų | 94.4 | 31% | 0.309 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.3 | 9.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F175 Y176 W180 | F175-G178 PolarHBondContact O-N 2.94Å; F175-G178 VanDerWaalsContact O-N 3.15Å; Y176-G178 PolarHBondContact O-N 2.94Å; G178-W180 PolarHBondContact O-N 2.79Å |
| 179 | L | 62.1 | Low | 55.4 | Low | 53 Ų | 53 | 97.5 Ų | 97.5 | 28% | 0.277 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -84.2 | 15 | -178.7 | -60.6 | 168.9 | 0 | 0 | 0 | 112.8 | Y117 R174 L177 R181 S182 | Y117-L179 HydrophobicContact CE2-CD2 4.4Å; Y117-L179 WeakPolarHBondContact OH-CD2 3.36Å; R174-L179 PolarHBondContact O-N 3.2Å; R174-L179 VanDerWaalsContact O-N 3.11Å; L177-L179 HydrophobicContact CB-CD1 3.96Å; L177-L179 HydrophobicContact CB-CG 4.1Å; L177-L179 HydrophobicContact CD1-CD1 4.34Å; L177-L179 PolarHBondContact O-N 3.14Å; L179-R181 PolarHBondContact O-N 3.38Å; L179-S182 PolarHBondContact O-N 3.5Å |
| 180 | W | 59.2 | Low | 54 | Low | 117 Ų | 117 | 102.6 Ų | 102.6 | 44% | 0.443 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -65.8 | -21.1 | -172.7 | 66.2 | -90.9 | 0 | 0 | 0 | 114.1 | F175 G178 S182 G183 L184 | F175-W180 HydrophobicContact CD1-CB 3.4Å; F175-W180 VanDerWaalsContact CD1-CB 3.4Å; F175-W180 HydrophobicContact CD1-CG 4.4Å; F175-W180 HydrophobicContact CE1-CB 3.7Å; F175-W180 HydrophobicContact CG-CB 4.37Å; G178-W180 PolarHBondContact O-N 2.79Å; W180-S182 PolarHBondContact O-N 3.43Å; W180-G183 PolarHBondContact O-N 3.04Å; W180-L184 HydrophobicContact CE3-CD1 3.79Å; W180-L184 HydrophobicContact CZ3-CD1 3.82Å |
| 181 | R | 51.8 | Low | 52.5 | Low | 199 Ų | 199 | 99 Ų | 99 | 75% | 0.751 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -64.3 | -20.6 | 178.2 | -98.4 | -159.7 | 177.8 | 107.1 | 0.4 | 114 | L179 G183 | L179-R181 PolarHBondContact O-N 3.38Å; R181-G183 VanDerWaalsContact C-N 3.32Å |
| 182 | S | 55.6 | Low | 51.3 | Low | 100 Ų | 100 | 100.9 Ų | 100.9 | 70% | 0.699 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -84.2 | -6.1 | 174.3 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | L179 W180 | L179-S182 PolarHBondContact O-N 3.5Å; W180-S182 PolarHBondContact O-N 3.43Å |
| 183 | G | 48.7 | Very low | 50.1 | Low | 60 Ų | 60 | 108.2 Ų | 108.2 | 62% | 0.619 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -106.3 | -4.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | W180 R181 | W180-G183 PolarHBondContact O-N 3.04Å; R181-G183 VanDerWaalsContact C-N 3.32Å |
| 184 | L | 50.2 | Low | 48.6 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -112.6 | 111.4 | 177.5 | -66.4 | 168.9 | 0 | 0 | 0 | 108.7 | W180 S186 | W180-L184 HydrophobicContact CE3-CD1 3.79Å; W180-L184 HydrophobicContact CZ3-CD1 3.82Å; L184-S186 PolarHBondContact O-N 2.92Å |
| 185 | G | 42.9 | Very low | 47.3 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 96% | 0.959 | 63% | 0.632 | S | S | * | * | trans | -66.4 | 34.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 186 | S | 42.6 | Very low | 45.9 | Very low | 104 Ų | 104 | 111.3 Ų | 111.3 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -88.2 | 132.7 | 164.2 | -72 | 0 | 0 | 0 | 0 | 108.2 | L184 G188 | L184-S186 PolarHBondContact O-N 2.92Å; S186-G188 PolarHBondContact O-N 3.38Å |
| 187 | K | 46.2 | Very low | 44.4 | Very low | 211 Ų | 211 | 116.6 Ų | 116.6 | 92% | 0.917 | 67% | 0.667 | S | S | * | * | trans | -57.1 | 79.9 | 177.2 | -64.1 | -163.7 | 176.4 | -177.1 | 0 | 110.9 | V189 | K187-V189 PolarHBondContact O-N 2.9Š| ||
| 188 | G | 39.8 | Very low | 43 | Very low | 65 Ų | 65 | 122.5 Ų | 122.5 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | trans | -68.9 | 116.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | S186 E190 | S186-G188 PolarHBondContact O-N 3.38Å; G188-E190 VanDerWaalsContact C-N 3.28Å; G188-E190 PolarHBondContact O-N 2.85Å | ||
| 189 | V | 39.4 | Very low | 41.6 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -60.7 | 98 | 171.4 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | K187 C191 | K187-V189 PolarHBondContact O-N 2.9Å; V189-C191 PolarHBondContact O-N 3.34Å | ||
| 190 | E | 37.8 | Very low | 40.2 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -77.4 | 100.3 | 169.5 | -174.9 | 152.2 | 172.5 | 0 | 0 | 107.6 | G188 S192 | G188-E190 VanDerWaalsContact C-N 3.28Å; G188-E190 PolarHBondContact O-N 2.85Å; E190-S192 PolarHBondContact O-N 3.14Å | ||
| 191 | C | 33.8 | Very low | 38.8 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | -71.9 | 79 | 159.9 | -73.5 | 0 | 0 | 0 | 0 | 108 | V189 K193 | V189-C191 PolarHBondContact O-N 3.34Å; C191-K193 PolarHBondContact O-N 2.95Å | ||
| 192 | S | 34.8 | Very low | 37.8 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | trans | -60.8 | 99.9 | 165.3 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | E190 R194 | E190-S192 PolarHBondContact O-N 3.14Å; S192-R194 PolarHBondContact O-N 2.91Å | ||
| 193 | K | 39.5 | Very low | 37.2 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | trans | -68.7 | 85.7 | 159.8 | -76.7 | -155.6 | 177.9 | -173.7 | 0 | 106.9 | C191 G195 | C191-K193 PolarHBondContact O-N 2.95Å; K193-G195 PolarHBondContact O-N 2.86Å | ||
| 194 | R | 31 | Very low | 36.8 | Very low | 214 Ų | 214 | 136 Ų | 136 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -71.7 | 75.3 | 158.8 | -147 | -177.6 | -63.9 | -165.5 | 1.9 | 106.5 | S192 T196 | S192-R194 PolarHBondContact O-N 2.91Å; R194-T196 PolarHBondContact O-N 2.89Å | ||
| 195 | G | 33.8 | Very low | 36.2 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -72.3 | 82.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | K193 E197 | K193-G195 PolarHBondContact O-N 2.86Å; G195-E197 PolarHBondContact O-N 2.98Å; G195-E197 VanDerWaalsContact O-N 3.16Å | ||
| 196 | T | 32.2 | Very low | 35.9 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -58 | 112.4 | 156.4 | 40.3 | 0 | 0 | 0 | 0 | 107.5 | R194 Q198 | R194-T196 PolarHBondContact O-N 2.89Å; T196-Q198 PolarHBondContact O-N 3.16Å | ||
| 197 | E | 31.7 | Very low | 35.6 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | 25.7 | 92.2 | 144.4 | -148.3 | 152.8 | 113.2 | 0 | 0 | 114.8 | G195 V199 | G195-E197 PolarHBondContact O-N 2.98Å; G195-E197 VanDerWaalsContact O-N 3.16Å; E197-V199 VanDerWaalsContact C-N 3.25Å; E197-V199 PolarHBondContact O-N 2.74Å | ||
| 198 | Q | 29.4 | Very low | 35.2 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -73 | 86 | 166.8 | -72.4 | -136.8 | -39.7 | 0 | 0 | 109.4 | T196 | T196-Q198 PolarHBondContact O-N 3.16Š| ||
| 199 | V | 31.5 | Very low | 35.2 | Very low | 110 Ų | 110 | 147 Ų | 147 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 115.5 | 143.9 | 177.2 | 0 | 0 | 0 | 0 | 105.8 | E197 P201 | E197-V199 VanDerWaalsContact C-N 3.25Å; E197-V199 PolarHBondContact O-N 2.74Å; V199-P201 WeakPolarHBondContact O-CD 3.44Å; V199-P201 WeakPolarHBondContact O-CG 3.42Å | ||
| 200 | V | 31.6 | Very low | 35.1 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -53.1 | 121.5 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 201 | P | 30.1 | Very low | 35 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -122.4 | 146 | 162.7 | 16.7 | 8.2 | 0 | 0 | 0 | 111.1 | V199 | V199-P201 WeakPolarHBondContact O-CD 3.44Å; V199-P201 WeakPolarHBondContact O-CG 3.42Å | ||
| 202 | N | 31.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -42.3 | 152.4 | -178.5 | -143.1 | -6.5 | 0 | 0 | 0 | 115.6 | Q204 T205 | N202-Q204 PolarHBondContact O-N 3.04Å; N202-T205 PolarHBondContact O-N 3.3Å; N202-T205 PolarHBondContact O-OG1 2.95Å | ||
| 203 | E | 42.5 | Very low | 35.4 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -8.8 | -169.5 | -133.6 | 176.2 | 133.7 | 0 | 0 | 116.2 | ||
| 204 | Q | 39.8 | Very low | 35.4 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -8.1 | -176.7 | -69.4 | -175.1 | -22.7 | 0 | 0 | 114.9 | N202 | N202-Q204 PolarHBondContact O-N 3.04Š|
| 205 | T | 38.4 | Very low | 35.5 | Very low | 94 Ų | 94 | 150 Ų | 150 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -93.4 | -6.4 | -172.8 | -25.5 | 0 | 0 | 0 | 0 | 113.6 | N202 | N202-T205 PolarHBondContact O-N 3.3Å; N202-T205 PolarHBondContact O-OG1 2.95Å |
| 206 | L | 36.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -0.2 | -170.8 | -150 | 87.4 | 0 | 0 | 0 | 115.3 | ||
| 207 | Q | 36.5 | Very low | 35.7 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -18.8 | 177.7 | -78.3 | -152.8 | -26.5 | 0 | 0 | 114.5 | ||
| 208 | R | 36.6 | Very low | 35.9 | Very low | 247 Ų | 247 | 146 Ų | 146 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -7.2 | -171.3 | -88.4 | -177.6 | 175.3 | 169.7 | -0.7 | 116.4 | ||
| 209 | T | 40.2 | Very low | 36.1 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 22.1 | -172.9 | -16.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 210 | S | 38.2 | Very low | 36.1 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | trans | -111.4 | 49 | -176.8 | 63 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 211 | R | 35.1 | Very low | 36.2 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | -144.7 | 72.7 | 167.8 | -74 | -167.7 | -179.1 | -169 | 0.2 | 111 | ||||
| 212 | Q | 40.3 | Very low | 36.5 | Very low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -120.8 | 103.1 | 153.2 | -80.5 | -166.1 | -20.2 | 0 | 0 | 107.8 | I214 | Q212-I214 PolarHBondContact O-N 1.99Å; Q212-I214 VanDerWaalsContact O-N 3.1Å | ||
| 213 | L | 36.2 | Very low | 36.5 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | -61.1 | 104.1 | 163.5 | -85.2 | 125.1 | 0 | 0 | 0 | 107.4 | ||||
| 214 | I | 40 | Very low | 36.1 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | trans | -101.5 | 107.9 | 166.4 | -56.8 | 178.1 | 0 | 0 | 0 | 106.4 | Q212 T216 | Q212-I214 PolarHBondContact O-N 1.99Å; Q212-I214 VanDerWaalsContact O-N 3.1Å; I214-T216 WeakPolarHBondContact CG2-OG1 3.03Å; I214-T216 PolarHBondContact O-N 3.29Å | ||
| 215 | N | 32.3 | Very low | 35.9 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -61.1 | 88.9 | 165.4 | -77.8 | -11 | 0 | 0 | 0 | 108.2 | ||||
| 216 | T | 37.5 | Very low | 35.9 | Very low | 67 Ų | 67 | 148.3 Ų | 148.3 | 41% | 0.411 | 77% | 0.774 | S | S | . | * | trans | -103.4 | 106.4 | 170.1 | -43.4 | 0 | 0 | 0 | 0 | 107.7 | I214 C218 | I214-T216 WeakPolarHBondContact CG2-OG1 3.03Å; I214-T216 PolarHBondContact O-N 3.29Å; T216-C218 PolarHBondContact O-N 3.31Å | ||
| 217 | T | 33.9 | Very low | 36.3 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -71.2 | 107 | 169.5 | 43.8 | 0 | 0 | 0 | 0 | 108.8 | T219 | T217-T219 PolarHBondContact O-N 2.94Š| ||
| 218 | C | 34.8 | Very low | 37.1 | Very low | 89 Ų | 89 | 143 Ų | 143 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | trans | -82 | 101.7 | 168.1 | -67.2 | 0 | 0 | 0 | 0 | 108.6 | T216 G220 | T216-C218 PolarHBondContact O-N 3.31Å; C218-G220 PolarHBondContact O-N 3.23Å | ||
| 219 | T | 33.9 | Very low | 38.1 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -80.7 | 93.7 | 170.2 | 50.3 | 0 | 0 | 0 | 0 | 109 | T217 | T217-T219 PolarHBondContact O-N 2.94Š| ||
| 220 | G | 31.1 | Very low | 38.9 | Very low | 60 Ų | 60 | 134 Ų | 134 | 62% | 0.619 | 73% | 0.725 | S | S | * | * | trans | -106.2 | 136.1 | 158 | 0 | 0 | 0 | 0 | 0 | 108.3 | C218 T222 | C218-G220 PolarHBondContact O-N 3.23Å; G220-T222 PolarHBondContact O-N 2.92Å | ||
| 221 | E | 34.3 | Very low | 40.6 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 91% | 0.907 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -52.3 | 136.2 | 172.2 | -79.1 | 167.7 | 131.9 | 0 | 0 | 110.1 | ||
| 222 | T | 37.7 | Very low | 42.6 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 86.5 | 109 | -173.7 | 68.5 | 0 | 0 | 0 | 0 | 116.1 | G220 V224 | G220-T222 PolarHBondContact O-N 2.92Å; T222-V224 PolarHBondContact O-N 2.88Å |
| 223 | E | 30.6 | Very low | 44.4 | Very low | 191 Ų | 191 | 117.5 Ų | 117.5 | 89% | 0.893 | 65% | 0.647 | S | S | * | * | trans | -60.7 | 108.4 | -178.7 | -69.3 | 178.8 | 118.8 | 0 | 0 | 113.2 | ||||
| 224 | V | 34.1 | Very low | 46.6 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 72% | 0.721 | 63% | 0.626 | S | S | * | * | trans | -143.3 | 97.6 | 140.5 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | T222 R226 | T222-V224 PolarHBondContact O-N 2.88Å; V224-R226 VanDerWaalsContact C-N 3.33Å; V224-R226 HydrophobicContact CG1-CG 4.2Å; V224-R226 PolarHBondContact O-N 2.81Å | ||
| 225 | V | 35.5 | Very low | 48.6 | Very low | 141 Ų | 141 | 113.3 Ų | 113.3 | 86% | 0.855 | 62% | 0.622 | S | S | * | * | trans | -70.3 | 89.7 | 173.3 | -179 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 226 | R | 39.5 | Very low | 50.9 | Low | 196 Ų | 196 | 106.4 Ų | 106.4 | 74% | 0.74 | 59% | 0.586 | S | S | * | * | trans | -93.9 | 120.4 | 160.6 | -82.1 | -173.8 | -175.5 | -179.5 | 2.8 | 108.5 | V224 T228 | V224-R226 VanDerWaalsContact C-N 3.33Å; V224-R226 HydrophobicContact CG1-CG 4.2Å; V224-R226 PolarHBondContact O-N 2.81Å; R226-T228 HydrophobicContact CB-CG2 4.49Å; R226-T228 PolarHBondContact O-N 3.49Å; R226-T228 PolarHBondContact O-OG1 2.78Å | ||
| 227 | T | 44.1 | Very low | 53 | Low | 146 Ų | 146 | 109.6 Ų | 109.6 | 90% | 0.896 | 60% | 0.595 | S | S | * | * | trans | -68.2 | 77.9 | 168.5 | 33.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 228 | T | 53.6 | Low | 55.3 | Low | 75 Ų | 75 | 106.6 Ų | 106.6 | 46% | 0.46 | 58% | 0.58 | S | S | . | * | trans | -100.9 | 129.8 | 171.7 | 38.2 | 0 | 0 | 0 | 0 | 110.1 | R226 C230 | R226-T228 HydrophobicContact CB-CG2 4.49Å; R226-T228 PolarHBondContact O-N 3.49Å; R226-T228 PolarHBondContact O-OG1 2.78Å; T228-C230 PolarHBondContact O-N 2.93Å; T228-C230 VanDerWaalsContact O-N 3.12Å | ||
| 229 | E | 57.6 | Low | 57.6 | Low | 137 Ų | 137 | 106.1 Ų | 106.1 | 64% | 0.64 | 58% | 0.578 | S | S | * | * | trans | -52.4 | 117.6 | 173.8 | -75.7 | -171.9 | 159.7 | 0 | 0 | 110.3 | R231 | E229-R231 HydrophobicContact CB-CG 4.42Å; E229-R231 PolarHBondContact O-N 2.65Å; E229-R231 IonicContact OE2-CZ 2.85Å; E229-R231 IonicContact OE2-NE 2.69Å; E229-R231 PolarHBondContact OE2-NE 2.83Å; E229-R231 IonicContact OE2-NH2 3.2Å; E229-R231 PolarHBondContact OE2-NH2 3.38Å | ||
| 230 | C | 57.3 | Low | 59.9 | Low | 53 Ų | 53 | 101.8 Ų | 101.8 | 36% | 0.358 | 55% | 0.549 | S | S | . | . | trans | -70.8 | 92.8 | 174.9 | -78.5 | 0 | 0 | 0 | 0 | 110 | T228 L273 | T228-C230 PolarHBondContact O-N 2.93Å; T228-C230 VanDerWaalsContact O-N 3.12Å; C230-L273 HydrophobicContact CB-CD1 3.83Å | ||
| 231 | R | 72.8 | Confident | 62.5 | Low | 115 Ų | 115 | 100 Ų | 100 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | trans | -102.1 | 147.9 | 172 | -63.9 | -177 | -176.8 | -155.5 | 2.2 | 110.3 | E229 C272 L273 | E229-R231 HydrophobicContact CB-CG 4.42Å; E229-R231 PolarHBondContact O-N 2.65Å; E229-R231 IonicContact OE2-CZ 2.85Å; E229-R231 IonicContact OE2-NE 2.69Å; E229-R231 PolarHBondContact OE2-NE 2.83Å; E229-R231 IonicContact OE2-NH2 3.2Å; E229-R231 PolarHBondContact OE2-NH2 3.38Å; R231-C272 WeakPolarHBondContact O-CA 3.27Å; R231-L273 PolarHBondContact O-N 3.09Å | ||
| 232 | S | 77.2 | Confident | 64.9 | Low | 37 Ų | 37 | 94.5 Ų | 94.5 | 26% | 0.259 | 50% | 0.501 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 146.8 | 169.7 | -168.2 | 0 | 0 | 0 | 0 | 110.2 | F234 L235 V236 L273 | S232-F234 PolarHBondContact O-N 3.19Å; S232-F234 VanDerWaalsContact O-N 3.08Å; S232-F234 WeakPolarHBondContact OG-CD1 3Å; S232-F234 WeakPolarHBondContact OG-CE1 2.9Å; S232-L235 WeakPolarHBondContact O-CA 3.41Å; S232-L235 WeakPolarHBondContact O-CB 3.49Å; S232-L235 PolarHBondContact O-N 2.81Å; S232-V236 PolarHBondContact O-N 3.01Å; S232-L273 CarbonylContact C-O 3.54Å; S232-L273 WeakPolarHBondContact CA-O 3.38Å; S232-L273 PolarHBondContact OG-O 2.88Å |
| 233 | C | 79.2 | Confident | 67.1 | Low | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -54.8 | -31 | -176.5 | -64.6 | 0 | 0 | 0 | 0 | 113.8 | L235 V266 C272 L273 R275 F278 | C233-L235 VanDerWaalsContact C-N 3.32Å; C233-L235 PolarHBondContact O-N 3.22Å; C233-V266 HydrophobicContact CB-CG2 3.78Å; C233-V266 WeakPolarHBondContact O-CG2 3.24Å; C233-C272 WeakPolarHBondContact CA-SG 3.4Å; C233-C272 HydrophobicContact CB-CB 3.83Å; C233-C272 WeakPolarHBondContact CB-SG 3.13Å; C233-C272 WeakPolarHBondContact SG-CB 3.41Å; C233-C272 CovalentContact SG-SG 2.04Å; C233-C272 PolarHBondContact SG-SG 3.47Å; C233-L273 PolarHBondContact N-O 3.21Å; C233-R275 VanDerWaalsContact CB-O 3.25Å; C233-R275 WeakPolarHBondContact CB-O 3.48Å; C233-F278 HydrophobicContact CB-CE1 4.43Å; C233-F278 WeakPolarHBondContact O-CE1 2.89Å |
| 234 | F | 81.5 | Confident | 69.3 | Low | 100 Ų | 100 | 86.3 Ų | 86.3 | 44% | 0.439 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -77.4 | -14.6 | 176.1 | 77.6 | -88.5 | 0 | 0 | 0 | 114.3 | S232 F278 | S232-F234 PolarHBondContact O-N 3.19Å; S232-F234 VanDerWaalsContact O-N 3.08Å; S232-F234 WeakPolarHBondContact OG-CD1 3Å; S232-F234 WeakPolarHBondContact OG-CE1 2.9Å; F234-F278 HydrophobicContact CB-CD1 4.39Å; F234-F278 HydrophobicContact CB-CD2 4.36Å; F234-F278 HydrophobicContact CB-CG 4.27Å |
| 235 | L | 81.7 | Confident | 70.9 | Confident | 99 Ų | 99 | 84.4 Ų | 84.4 | 52% | 0.518 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -100.5 | 1.5 | 179 | -65 | 176.6 | 0 | 0 | 0 | 113 | S232 C233 | S232-L235 WeakPolarHBondContact O-CA 3.41Å; S232-L235 WeakPolarHBondContact O-CB 3.49Å; S232-L235 PolarHBondContact O-N 2.81Å; C233-L235 VanDerWaalsContact C-N 3.32Å; C233-L235 PolarHBondContact O-N 3.22Å |
| 236 | V | 81.7 | Confident | 72.2 | Confident | 14 Ų | 14 | 79.2 Ų | 79.2 | 9% | 0.085 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -62.9 | 149.8 | 172.5 | 174.1 | 0 | 0 | 0 | 0 | 108.8 | S232 S238 N240 H241 V266 T270 C272 | S232-V236 PolarHBondContact O-N 3.01Å; V236-S238 PolarHBondContact O-N 3.33Å; V236-N240 HydrophobicContact CG1-CB 3.68Å; V236-H241 PolarHBondContact O-CE1 3.5Å; V236-H241 PolarHBondContact O-NE2 3.15Å; V236-H241 VanDerWaalsContact O-NE2 3.1Å; V236-V266 HydrophobicContact CG1-CG1 4.26Å; V236-V266 HydrophobicContact CG2-CG1 4.44Å; V236-T270 HydrophobicContact CG1-CG2 3.72Å; V236-T270 HydrophobicContact CG2-CG2 4.12Å; V236-C272 HydrophobicContact CG2-CB 3.69Å |
| 237 | H | 81.9 | Confident | 73 | Confident | 133 Ų | 133 | 77.9 Ų | 77.9 | 62% | 0.616 | 42% | 0.415 | S | S | * | . | trans | -58.7 | 137.7 | 177.6 | -167.5 | -95.3 | 0 | 0 | 0 | 110.1 | S239 N240 | H237-S239 PolarHBondContact ND1-OG 3.11Å; H237-S239 PolarHBondContact O-N 3.27Å; H237-N240 PolarHBondContact O-N 2.78Å | ||
| 238 | S | 80.9 | Confident | 73.7 | Confident | 63 Ų | 63 | 75.1 Ų | 75.1 | 44% | 0.441 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -59.5 | -18.5 | -171.4 | -167.2 | 0 | 0 | 0 | 0 | 114.7 | V236 N240 H241 K280 | V236-S238 PolarHBondContact O-N 3.33Å; S238-N240 PolarHBondContact O-N 3.22Å; S238-H241 PolarHBondContact O-N 3.34Å; S238-K280 VanDerWaalsContact CB-NZ 3.33Å; S238-K280 PolarHBondContact OG-NZ 3.25Å |
| 239 | S | 82.6 | Confident | 73.9 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 56% | 0.559 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -63.2 | -22.3 | 174.4 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | H237 | H237-S239 PolarHBondContact ND1-OG 3.11Å; H237-S239 PolarHBondContact O-N 3.27Å |
| 240 | N | 83.6 | Confident | 74 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -103.3 | 13.2 | -177.8 | -53 | -1.1 | 0 | 0 | 0 | 111.4 | V236 H237 S238 V266 N267 T270 | V236-N240 HydrophobicContact CG1-CB 3.68Å; H237-N240 PolarHBondContact O-N 2.78Å; S238-N240 PolarHBondContact O-N 3.22Å; N240-V266 CarbonylContact O-C 3.58Å; N240-V266 WeakPolarHBondContact O-CA 2.77Å; N240-N267 PolarHBondContact O-N 2.83Å; N240-N267 PolarHBondContact O-OD1 2.87Å; N240-N267 VanDerWaalsContact O-OD1 3.08Å; N240-T270 PolarHBondContact ND2-OG1 3.37Å |
| 241 | H | 84.5 | Confident | 74.1 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.4 | 175.8 | -60.8 | -178.7 | 0 | 0 | 0 | 108.5 | V236 S238 H265 F278 | V236-H241 PolarHBondContact O-CE1 3.5Å; V236-H241 PolarHBondContact O-NE2 3.15Å; V236-H241 VanDerWaalsContact O-NE2 3.1Å; S238-H241 PolarHBondContact O-N 3.34Å; H241-H265 CarbonylContact C-O 3.53Å; H241-H265 WeakPolarHBondContact CA-O 3.01Å; H241-F278 AromaticContact CD2-CZ 3.9Å; H241-F278 AromaticContact CE1-CE2 3.81Å; H241-F278 AromaticContact CE1-CZ 3.44Å; H241-F278 VanDerWaalsContact CE1-CZ 3.44Å; H241-F278 WeakPolarHBondContact CE1-CZ 3.39Å; H241-F278 AromaticContact CG-CZ 3.86Å; H241-F278 AromaticContact ND1-CE2 3.77Å; H241-F278 AromaticContact ND1-CZ 3.56Å; H241-F278 AromaticContact NE2-CZ 3.65Å |
| 242 | I | 85.3 | Confident | 73.3 | Confident | 79 Ų | 79 | 69.5 Ų | 69.5 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.7 | 167.8 | -62.2 | 150.2 | 0 | 0 | 0 | 106.7 | C264 H265 N267 | I242-C264 CarbonylContact O-C 3.56Å; I242-C264 WeakPolarHBondContact O-CA 3.15Å; I242-H265 WeakPolarHBondContact CB-CE1 3.4Å; I242-H265 WeakPolarHBondContact CB-NE2 3.37Å; I242-H265 WeakPolarHBondContact CD1-NE2 3.23Å; I242-H265 WeakPolarHBondContact CG2-CE1 3.45Å; I242-H265 WeakPolarHBondContact CG2-NE2 2.92Å; I242-H265 PolarHBondContact N-O 3.41Å; I242-H265 PolarHBondContact O-N 2.86Å; I242-H265 PolarHBondContact O-ND1 3.15Å; I242-H265 VanDerWaalsContact O-ND1 3.08Å; I242-N267 WeakPolarHBondContact CD1-OD1 3.1Å; I242-N267 WeakPolarHBondContact CG1-OD1 3.3Å |
| 243 | C | 83.1 | Confident | 72.5 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 24% | 0.243 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 141.9 | 176.1 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | T262 C264 V282 | C243-T262 HydrophobicContact CB-CG2 4.14Å; C243-C264 HydrophobicContact CB-CB 4.02Å; C243-C264 WeakPolarHBondContact CB-SG 3.46Å; C243-C264 WeakPolarHBondContact SG-CB 3.46Å; C243-C264 CovalentContact SG-SG 2.03Å; C243-C264 PolarHBondContact SG-SG 3.28Å; C243-V282 HydrophobicContact CB-CG2 4.29Å |
| 244 | E | 78.2 | Confident | 71.5 | Confident | 121 Ų | 121 | 72.5 Ų | 72.5 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 130.1 | 170.7 | -74.6 | -175.8 | 165.1 | 0 | 0 | 109.6 | V246 T262 L263 | E244-V246 PolarHBondContact O-N 2.9Å; E244-T262 HydrophobicContact CB-CG2 4.27Å; E244-T262 WeakPolarHBondContact O-CG2 3.17Å; E244-L263 PolarHBondContact N-O 3.03Å |
| 245 | P | 66.5 | Low | 70.6 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 128.2 | 179 | 23.1 | -34.9 | 0 | 0 | 0 | 111.2 | F247 | P245-F247 VanDerWaalsContact C-N 3.3Å; P245-F247 HydrophobicContact CB-CD1 4.04Å; P245-F247 HydrophobicContact CB-CD2 3.75Å; P245-F247 HydrophobicContact CB-CE1 3.63Å; P245-F247 HydrophobicContact CB-CE2 3.38Å; P245-F247 HydrophobicContact CB-CG 4.09Å; P245-F247 HydrophobicContact CB-CZ 3.28Å; P245-F247 HydrophobicContact CG-CD2 3.61Å; P245-F247 HydrophobicContact CG-CE1 4.09Å; P245-F247 HydrophobicContact CG-CE2 2.94Å; P245-F247 HydrophobicContact CG-CG 4.44Å; P245-F247 HydrophobicContact CG-CZ 3.21Å; P245-F247 PolarHBondContact O-N 3.46Å |
| 246 | V | 63.9 | Low | 69.5 | Low | 32 Ų | 32 | 71.4 Ų | 71.4 | 19% | 0.194 | 41% | 0.405 | C | S | . | . | trans | -83.1 | 79.7 | 174.1 | -169.4 | 0 | 0 | 0 | 0 | 108.3 | E244 N248 Y252 I260 T262 C284 | E244-V246 PolarHBondContact O-N 2.9Å; V246-N248 PolarHBondContact O-N 3.12Å; V246-Y252 HydrophobicContact CG1-CE2 4.4Å; V246-I260 HydrophobicContact CG1-CD1 4.05Å; V246-T262 HydrophobicContact CG2-CG2 4.01Å; V246-T262 WeakPolarHBondContact CG2-OG1 3.34Å; V246-C284 VanDerWaalsContact CG1-SG 3.55Å | ||
| 247 | F | 56.5 | Low | 68.6 | Low | 169 Ų | 169 | 75.8 Ų | 75.8 | 74% | 0.741 | 43% | 0.428 | S | S | * | . | trans | -74.7 | -2.4 | -172.8 | -71.5 | -59.9 | 0 | 0 | 0 | 115.2 | P245 | P245-F247 VanDerWaalsContact C-N 3.3Å; P245-F247 HydrophobicContact CB-CD1 4.04Å; P245-F247 HydrophobicContact CB-CD2 3.75Å; P245-F247 HydrophobicContact CB-CE1 3.63Å; P245-F247 HydrophobicContact CB-CE2 3.38Å; P245-F247 HydrophobicContact CB-CG 4.09Å; P245-F247 HydrophobicContact CB-CZ 3.28Å; P245-F247 HydrophobicContact CG-CD2 3.61Å; P245-F247 HydrophobicContact CG-CE1 4.09Å; P245-F247 HydrophobicContact CG-CE2 2.94Å; P245-F247 HydrophobicContact CG-CG 4.44Å; P245-F247 HydrophobicContact CG-CZ 3.21Å; P245-F247 PolarHBondContact O-N 3.46Å | ||
| 248 | N | 57.3 | Low | 67.9 | Low | 88 Ų | 88 | 73 Ų | 73 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | trans | -152.6 | 83.3 | -176.4 | -142.2 | -11.8 | 0 | 0 | 0 | 112.4 | V246 S250 V251 | V246-N248 PolarHBondContact O-N 3.12Å; N248-S250 PolarHBondContact O-N 3.38Å; N248-S250 PolarHBondContact OD1-OG 3.45Å; N248-V251 HydrophobicContact CB-CB 4.38Å; N248-V251 HydrophobicContact CB-CG2 3.72Å; N248-V251 WeakPolarHBondContact O-CB 3.49Å; N248-V251 PolarHBondContact O-N 3.37Å; N248-V251 VanDerWaalsContact O-N 3.13Å | ||
| 249 | C | 58.4 | Low | 67.3 | Low | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.034 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -58.2 | -29.2 | 174.5 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | V251 Y252 C284 W286 | C249-V251 PolarHBondContact O-N 2.86Å; C249-Y252 PolarHBondContact O-N 3.47Å; C249-Y252 VanDerWaalsContact O-N 3.12Å; C249-C284 WeakPolarHBondContact CA-SG 3.09Å; C249-C284 HydrophobicContact CB-CB 3.97Å; C249-C284 WeakPolarHBondContact CB-SG 3.27Å; C249-C284 WeakPolarHBondContact SG-CB 3.46Å; C249-C284 CovalentContact SG-SG 2Å; C249-C284 PolarHBondContact SG-SG 3.01Å; C249-W286 HydrophobicContact CB-CD2 3.8Å; C249-W286 VanDerWaalsContact CB-CE2 3.48Å; C249-W286 HydrophobicContact CB-CE3 4.27Å; C249-W286 HydrophobicContact CB-CG 4.26Å; C249-W286 HydrophobicContact CB-CH2 4.2Å; C249-W286 HydrophobicContact CB-CZ2 3.71Å; C249-W286 HydrophobicContact CB-CZ3 4.45Å |
| 250 | S | 59.7 | Low | 66.9 | Low | 67 Ų | 67 | 71.5 Ų | 71.5 | 47% | 0.469 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -59 | -32.5 | 177.4 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | N248 Y252 A253 | N248-S250 PolarHBondContact O-N 3.38Å; N248-S250 PolarHBondContact OD1-OG 3.45Å; S250-Y252 PolarHBondContact O-N 3.22Å; S250-A253 PolarHBondContact O-N 2.89Å |
| 251 | V | 60 | Low | 66.5 | Low | 49 Ų | 49 | 73.2 Ų | 73.2 | 30% | 0.297 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -63.8 | -28.9 | 179.8 | 165.8 | 0 | 0 | 0 | 0 | 112.2 | R140 N248 C249 | R140-V251 VanDerWaalsContact CZ-CG1 3.46Å; R140-V251 VanDerWaalsContact NH1-CG1 3.3Å; N248-V251 HydrophobicContact CB-CB 4.38Å; N248-V251 HydrophobicContact CB-CG2 3.72Å; N248-V251 WeakPolarHBondContact O-CB 3.49Å; N248-V251 PolarHBondContact O-N 3.37Å; N248-V251 VanDerWaalsContact O-N 3.13Å; C249-V251 PolarHBondContact O-N 2.86Å |
| 252 | Y | 56.5 | Low | 66.2 | Low | 140 Ų | 140 | 72.7 Ų | 72.7 | 55% | 0.549 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -96.7 | -1.8 | -177.3 | -67 | -81.6 | 0 | 0 | 0 | 113.5 | V246 C249 S250 A254 I260 | V246-Y252 HydrophobicContact CG1-CE2 4.4Å; C249-Y252 PolarHBondContact O-N 3.47Å; C249-Y252 VanDerWaalsContact O-N 3.12Å; S250-Y252 PolarHBondContact O-N 3.22Å; Y252-A254 PolarHBondContact O-N 2.81Å; Y252-I260 HydrophobicContact CD1-CG2 4.4Å; Y252-I260 HydrophobicContact CD2-CD1 3.82Å; Y252-I260 HydrophobicContact CD2-CG2 4.27Å; Y252-I260 HydrophobicContact CE1-CG2 4.35Å; Y252-I260 HydrophobicContact CE2-CG2 4.22Å; Y252-I260 HydrophobicContact CG-CD1 4Å; Y252-I260 HydrophobicContact CG-CG2 4.36Å |
| 253 | A | 59.6 | Low | 66.1 | Low | 92 Ų | 92 | 71.9 Ų | 71.9 | 76% | 0.76 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 28.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | S250 | S250-A253 PolarHBondContact O-N 2.89Š|
| 254 | A | 58.8 | Low | 66.2 | Low | 9 Ų | 9 | 70.2 Ų | 70.2 | 7% | 0.074 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 131.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y252 D258 I260 W286 | Y252-A254 PolarHBondContact O-N 2.81Å; A254-D258 HydrophobicContact CB-CB 3.96Å; A254-I260 HydrophobicContact CB-CD1 4.12Å; A254-I260 HydrophobicContact CB-CG1 4.36Å; A254-W286 WeakPolarHBondContact O-CZ2 3.42Å |
| 255 | P | 62 | Low | 66.7 | Low | 79 Ų | 79 | 68.4 Ų | 68.4 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 154.3 | 178.9 | 19.4 | -27.9 | 0 | 0 | 0 | 111.6 | N257 D258 | P255-N257 PolarHBondContact O-N 3.23Å; P255-D258 HydrophobicContact CG-CB 4.06Å; P255-D258 WeakPolarHBondContact O-CB 3.34Å; P255-D258 PolarHBondContact O-N 3.03Å |
| 256 | P | 59.3 | Low | 67.7 | Low | 97 Ų | 97 | 64.7 Ų | 64.7 | 63% | 0.63 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 127.9 | 175.6 | 21.1 | -30.2 | 0 | 0 | 0 | 110.3 | ||
| 257 | N | 61.1 | Low | 68.7 | Low | 105 Ų | 105 | 65.4 Ų | 65.4 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 5 | -171.6 | -52.7 | -65.4 | 0 | 0 | 0 | 117.8 | P255 R283 | P255-N257 PolarHBondContact O-N 3.23Å; N257-R283 PolarHBondContact OD1-NH1 3.48Å; N257-R283 VanDerWaalsContact OD1-NH1 3.07Å |
| 258 | D | 67.4 | Low | 69.9 | Low | 75 Ų | 75 | 63.6 Ų | 63.6 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | trans | -67.6 | 150.6 | 173.5 | -153.8 | -1.2 | 0 | 0 | 0 | 111.9 | A254 P255 C284 | A254-D258 HydrophobicContact CB-CB 3.96Å; P255-D258 HydrophobicContact CG-CB 4.06Å; P255-D258 WeakPolarHBondContact O-CB 3.34Å; P255-D258 PolarHBondContact O-N 3.03Å; D258-C284 PolarHBondContact O-N 2.73Å | ||
| 259 | M | 69.8 | Low | 71 | Confident | 106 Ų | 106 | 68.1 Ų | 68.1 | 52% | 0.522 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 106.4 | -176.6 | -86.9 | -165.2 | -79.7 | 0 | 0 | 110.1 | K281 | M259-K281 HydrophobicContact CB-CB 3.89Å; M259-K281 HydrophobicContact CB-CD 3.92Å; M259-K281 HydrophobicContact CB-CG 4.06Å; M259-K281 HydrophobicContact CG-CB 4.27Å; M259-K281 HydrophobicContact SD-CB 3.92Å; M259-K281 HydrophobicContact SD-CD 4.17Å |
| 260 | I | 72.7 | Confident | 72 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.4 | -176.6 | -59.3 | -176.8 | 0 | 0 | 0 | 109.8 | V246 Y252 A254 T262 K281 V282 C284 | V246-I260 HydrophobicContact CG1-CD1 4.05Å; Y252-I260 HydrophobicContact CD1-CG2 4.4Å; Y252-I260 HydrophobicContact CD2-CD1 3.82Å; Y252-I260 HydrophobicContact CD2-CG2 4.27Å; Y252-I260 HydrophobicContact CE1-CG2 4.35Å; Y252-I260 HydrophobicContact CE2-CG2 4.22Å; Y252-I260 HydrophobicContact CG-CD1 4Å; Y252-I260 HydrophobicContact CG-CG2 4.36Å; A254-I260 HydrophobicContact CB-CD1 4.12Å; A254-I260 HydrophobicContact CB-CG1 4.36Å; I260-T262 PolarHBondContact O-N 2.64Å; I260-T262 PolarHBondContact O-OG1 3.43Å; I260-K281 CarbonylContact O-C 3.49Å; I260-K281 WeakPolarHBondContact O-CA 3.36Å; I260-V282 PolarHBondContact N-O 3.3Å; I260-V282 PolarHBondContact O-N 3.44Å; I260-C284 HydrophobicContact CD1-CB 3.65Å; I260-C284 WeakPolarHBondContact CD1-SG 3.32Å; I260-C284 HydrophobicContact CG1-CB 4.22Å |
| 261 | P | 76.7 | Confident | 73 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 113.1 | 173.4 | 28.3 | -32.7 | 0 | 0 | 0 | 110 | ||
| 262 | T | 77.5 | Confident | 73.9 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.3 | -178.5 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | C243 E244 V246 I260 C264 Y279 K280 V282 | C243-T262 HydrophobicContact CB-CG2 4.14Å; E244-T262 HydrophobicContact CB-CG2 4.27Å; E244-T262 WeakPolarHBondContact O-CG2 3.17Å; V246-T262 HydrophobicContact CG2-CG2 4.01Å; V246-T262 WeakPolarHBondContact CG2-OG1 3.34Å; I260-T262 PolarHBondContact O-N 2.64Å; I260-T262 PolarHBondContact O-OG1 3.43Å; T262-C264 PolarHBondContact O-N 3.01Å; T262-Y279 WeakPolarHBondContact O-CA 3.47Å; T262-K280 PolarHBondContact N-O 3.19Å; T262-K280 PolarHBondContact O-N 2.97Å; T262-V282 HydrophobicContact CG2-CG2 4.48Å |
| 263 | L | 82.7 | Confident | 75.1 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 122.1 | 172.4 | -173.5 | 65.1 | 0 | 0 | 0 | 109.1 | E244 A277 Y279 | E244-L263 PolarHBondContact N-O 3.03Å; L263-A277 HydrophobicContact CD1-CB 4.35Å; L263-Y279 HydrophobicContact CB-CD1 4.5Å; L263-Y279 HydrophobicContact CB-CE1 4.14Å; L263-Y279 HydrophobicContact CD1-CE1 4.32Å; L263-Y279 HydrophobicContact CD1-CE2 4.39Å |
| 264 | C | 84.6 | Confident | 75.9 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.007 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.7 | 176.2 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | I242 C243 T262 A277 F278 | I242-C264 CarbonylContact O-C 3.56Å; I242-C264 WeakPolarHBondContact O-CA 3.15Å; C243-C264 HydrophobicContact CB-CB 4.02Å; C243-C264 WeakPolarHBondContact CB-SG 3.46Å; C243-C264 WeakPolarHBondContact SG-CB 3.46Å; C243-C264 CovalentContact SG-SG 2.03Å; C243-C264 PolarHBondContact SG-SG 3.28Å; T262-C264 PolarHBondContact O-N 3.01Å; C264-A277 CarbonylContact O-C 3.6Å; C264-A277 VanDerWaalsContact O-CA 3.32Å; C264-A277 WeakPolarHBondContact O-CA 3.29Å; C264-F278 HydrophobicContact CB-CE2 4.16Å; C264-F278 PolarHBondContact N-O 3.07Å; C264-F278 PolarHBondContact O-N 3.19Å; C264-F278 VanDerWaalsContact O-O 3.1Å |
| 265 | H | 89.5 | Confident | 76.9 | Confident | 83 Ų | 83 | 76 Ų | 76 | 38% | 0.384 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.1 | 171.1 | 61.3 | -84.1 | 0 | 0 | 0 | 110.9 | H241 I242 R276 | H241-H265 CarbonylContact C-O 3.53Å; H241-H265 WeakPolarHBondContact CA-O 3.01Å; I242-H265 WeakPolarHBondContact CB-CE1 3.4Å; I242-H265 WeakPolarHBondContact CB-NE2 3.37Å; I242-H265 WeakPolarHBondContact CD1-NE2 3.23Å; I242-H265 WeakPolarHBondContact CG2-CE1 3.45Å; I242-H265 WeakPolarHBondContact CG2-NE2 2.92Å; I242-H265 PolarHBondContact N-O 3.41Å; I242-H265 PolarHBondContact O-N 2.86Å; I242-H265 PolarHBondContact O-ND1 3.15Å; I242-H265 VanDerWaalsContact O-ND1 3.08Å; H265-R276 VanDerWaalsContact CA-O 3.29Å; H265-R276 WeakPolarHBondContact CA-O 3.4Å |
| 266 | V | 86.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.9 | 173 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | C233 V236 N240 T270 R276 F278 | C233-V266 HydrophobicContact CB-CG2 3.78Å; C233-V266 WeakPolarHBondContact O-CG2 3.24Å; V236-V266 HydrophobicContact CG1-CG1 4.26Å; V236-V266 HydrophobicContact CG2-CG1 4.44Å; N240-V266 CarbonylContact O-C 3.58Å; N240-V266 WeakPolarHBondContact O-CA 2.77Å; V266-T270 HydrophobicContact CG1-CG2 4.13Å; V266-R276 PolarHBondContact N-O 3.33Å; V266-R276 VanDerWaalsContact N-O 3.12Å; V266-F278 HydrophobicContact CG2-CE1 3.62Å; V266-F278 HydrophobicContact CG2-CZ 4.27Å |
| 267 | N | 85.4 | Confident | 79 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | trans | -51.4 | 140.3 | 171.6 | -65.8 | 15.8 | 0 | 0 | 0 | 111 | N240 I242 E269 T270 | N240-N267 PolarHBondContact O-N 2.83Å; N240-N267 PolarHBondContact O-OD1 2.87Å; N240-N267 VanDerWaalsContact O-OD1 3.08Å; I242-N267 WeakPolarHBondContact CD1-OD1 3.1Å; I242-N267 WeakPolarHBondContact CG1-OD1 3.3Å; N267-E269 PolarHBondContact O-N 3.44Å; N267-E269 VanDerWaalsContact O-N 3.12Å; N267-T270 PolarHBondContact O-N 2.99Å | ||
| 268 | D | 81.8 | Confident | 80.1 | Confident | 131 Ų | 131 | 72.2 Ų | 72.2 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.2 | -177.1 | -72.2 | -43.5 | 0 | 0 | 0 | 114.1 | T270 R276 | D268-T270 VanDerWaalsContact C-N 3.26Å; D268-T270 PolarHBondContact O-N 3.35Å; D268-R276 IonicContact OD1-NH1 2.71Å; D268-R276 PolarHBondContact OD1-NH1 2.92Å |
| 269 | E | 81.1 | Confident | 80.8 | Confident | 184 Ų | 184 | 77 Ų | 77 | 86% | 0.86 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.9 | 176.5 | -61.1 | -175.6 | 167.5 | 0 | 0 | 113.7 | N267 | N267-E269 PolarHBondContact O-N 3.44Å; N267-E269 VanDerWaalsContact O-N 3.12Å |
| 270 | T | 79.8 | Confident | 81.3 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 16% | 0.16 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -96.5 | 121.4 | -178 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | V236 N240 V266 N267 D268 | V236-T270 HydrophobicContact CG1-CG2 3.72Å; V236-T270 HydrophobicContact CG2-CG2 4.12Å; N240-T270 PolarHBondContact ND2-OG1 3.37Å; V266-T270 HydrophobicContact CG1-CG2 4.13Å; N267-T270 PolarHBondContact O-N 2.99Å; D268-T270 VanDerWaalsContact C-N 3.26Å; D268-T270 PolarHBondContact O-N 3.35Å |
| 271 | I | 79.7 | Confident | 81.6 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 60% | 0.595 | 41% | 0.406 | S | S | * | . | trans | -77.9 | 124.7 | 173.3 | -56.8 | 174.3 | 0 | 0 | 0 | 108.8 | ||||
| 272 | C | 80.1 | Confident | 81.6 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | trans | -149.8 | 156.8 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | R231 C233 V236 | R231-C272 WeakPolarHBondContact O-CA 3.27Å; C233-C272 WeakPolarHBondContact CA-SG 3.4Å; C233-C272 HydrophobicContact CB-CB 3.83Å; C233-C272 WeakPolarHBondContact CB-SG 3.13Å; C233-C272 WeakPolarHBondContact SG-CB 3.41Å; C233-C272 CovalentContact SG-SG 2.04Å; C233-C272 PolarHBondContact SG-SG 3.47Å; V236-C272 HydrophobicContact CG2-CB 3.69Å | ||
| 273 | L | 79.8 | Confident | 81.4 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 40% | 0.403 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -96.7 | 130.8 | -179.7 | -63.2 | 176.2 | 0 | 0 | 0 | 112 | C230 R231 S232 C233 | C230-L273 HydrophobicContact CB-CD1 3.83Å; R231-L273 PolarHBondContact O-N 3.09Å; S232-L273 CarbonylContact C-O 3.54Å; S232-L273 WeakPolarHBondContact CA-O 3.38Å; S232-L273 PolarHBondContact OG-O 2.88Å; C233-L273 PolarHBondContact N-O 3.21Å |
| 274 | G | 77.9 | Confident | 80.7 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 105.2 | -159.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | R276 | G274-R276 PolarHBondContact O-N 3.12Š|
| 275 | R | 79.9 | Confident | 79.8 | Confident | 224 Ų | 224 | 90.2 Ų | 90.2 | 85% | 0.845 | 44% | 0.438 | S | S | * | . | trans | -68.4 | 125.5 | 178.3 | -70.7 | -173.9 | 178.6 | -177.5 | -0.1 | 110 | C233 A277 | C233-R275 VanDerWaalsContact CB-O 3.25Å; C233-R275 WeakPolarHBondContact CB-O 3.48Å; R275-A277 VanDerWaalsContact C-N 3.3Å | ||
| 276 | R | 81.7 | Confident | 78.2 | Confident | 117 Ų | 117 | 92.7 Ų | 92.7 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -68.2 | -29.4 | 175 | -72.6 | -174.2 | 167.4 | -164.1 | -5 | 112.9 | H265 V266 D268 G274 | H265-R276 VanDerWaalsContact CA-O 3.29Å; H265-R276 WeakPolarHBondContact CA-O 3.4Å; V266-R276 PolarHBondContact N-O 3.33Å; V266-R276 VanDerWaalsContact N-O 3.12Å; D268-R276 IonicContact OD1-NH1 2.71Å; D268-R276 PolarHBondContact OD1-NH1 2.92Å; G274-R276 PolarHBondContact O-N 3.12Å |
| 277 | A | 83.8 | Confident | 76.8 | Confident | 53 Ų | 53 | 97.9 Ų | 97.9 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L263 C264 R275 | L263-A277 HydrophobicContact CD1-CB 4.35Å; C264-A277 CarbonylContact O-C 3.6Å; C264-A277 VanDerWaalsContact O-CA 3.32Å; C264-A277 WeakPolarHBondContact O-CA 3.29Å; R275-A277 VanDerWaalsContact C-N 3.3Å |
| 278 | F | 84.3 | Confident | 74.8 | Confident | 31 Ų | 31 | 104.8 Ų | 104.8 | 14% | 0.136 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 156.1 | 178 | 53.1 | -91.5 | 0 | 0 | 0 | 111.1 | C233 F234 H241 C264 V266 K280 | C233-F278 HydrophobicContact CB-CE1 4.43Å; C233-F278 WeakPolarHBondContact O-CE1 2.89Å; F234-F278 HydrophobicContact CB-CD1 4.39Å; F234-F278 HydrophobicContact CB-CD2 4.36Å; F234-F278 HydrophobicContact CB-CG 4.27Å; H241-F278 AromaticContact CD2-CZ 3.9Å; H241-F278 AromaticContact CE1-CE2 3.81Å; H241-F278 AromaticContact CE1-CZ 3.44Å; H241-F278 VanDerWaalsContact CE1-CZ 3.44Å; H241-F278 WeakPolarHBondContact CE1-CZ 3.39Å; H241-F278 AromaticContact CG-CZ 3.86Å; H241-F278 AromaticContact ND1-CE2 3.77Å; H241-F278 AromaticContact ND1-CZ 3.56Å; H241-F278 AromaticContact NE2-CZ 3.65Å; C264-F278 HydrophobicContact CB-CE2 4.16Å; C264-F278 PolarHBondContact N-O 3.07Å; C264-F278 PolarHBondContact O-N 3.19Å; C264-F278 VanDerWaalsContact O-O 3.1Å; V266-F278 HydrophobicContact CG2-CE1 3.62Å; V266-F278 HydrophobicContact CG2-CZ 4.27Å; F278-K280 HydrophobicContact CD2-CB 4.34Å; F278-K280 HydrophobicContact CE2-CB 4.23Å |
| 279 | Y | 81.1 | Confident | 74.5 | Confident | 175 Ų | 175 | 103.5 Ų | 103.5 | 69% | 0.686 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 128.2 | 172.9 | -71.8 | -81 | 0 | 0 | 0 | 110.3 | T262 L263 | T262-Y279 WeakPolarHBondContact O-CA 3.47Å; L263-Y279 HydrophobicContact CB-CD1 4.5Å; L263-Y279 HydrophobicContact CB-CE1 4.14Å; L263-Y279 HydrophobicContact CD1-CE1 4.32Å; L263-Y279 HydrophobicContact CD1-CE2 4.39Å |
| 280 | K | 81.3 | Confident | 74.1 | Confident | 66 Ų | 66 | 99.2 Ų | 99.2 | 29% | 0.287 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.7 | 172.2 | -173.3 | 176.2 | 175.4 | 175.9 | 0 | 108.8 | S238 T262 F278 V282 | S238-K280 VanDerWaalsContact CB-NZ 3.33Å; S238-K280 PolarHBondContact OG-NZ 3.25Å; T262-K280 PolarHBondContact N-O 3.19Å; T262-K280 PolarHBondContact O-N 2.97Å; F278-K280 HydrophobicContact CD2-CB 4.34Å; F278-K280 HydrophobicContact CE2-CB 4.23Å; K280-V282 PolarHBondContact O-N 3.37Å |
| 281 | K | 79.3 | Confident | 73.8 | Confident | 136 Ų | 136 | 103.3 Ų | 103.3 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 115.9 | 170.4 | -86.1 | -177 | 178.4 | -168.7 | 0 | 109.3 | M259 I260 | M259-K281 HydrophobicContact CB-CB 3.89Å; M259-K281 HydrophobicContact CB-CD 3.92Å; M259-K281 HydrophobicContact CB-CG 4.06Å; M259-K281 HydrophobicContact CG-CB 4.27Å; M259-K281 HydrophobicContact SD-CB 3.92Å; M259-K281 HydrophobicContact SD-CD 4.17Å; I260-K281 CarbonylContact O-C 3.49Å; I260-K281 WeakPolarHBondContact O-CA 3.36Å |
| 282 | V | 76.2 | Confident | 73.5 | Confident | 44 Ų | 44 | 102.5 Ų | 102.5 | 27% | 0.267 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.3 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | C243 I260 T262 K280 C284 | C243-V282 HydrophobicContact CB-CG2 4.29Å; I260-V282 PolarHBondContact N-O 3.3Å; I260-V282 PolarHBondContact O-N 3.44Å; T262-V282 HydrophobicContact CG2-CG2 4.48Å; K280-V282 PolarHBondContact O-N 3.37Å; V282-C284 PolarHBondContact O-N 3.1Å |
| 283 | R | 73.6 | Confident | 73.1 | Confident | 165 Ų | 165 | 107.7 Ų | 107.7 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 129.8 | 175.7 | -175.8 | -176 | -66 | -147.4 | 5.9 | 108.7 | N257 N285 | N257-R283 PolarHBondContact OD1-NH1 3.48Å; N257-R283 VanDerWaalsContact OD1-NH1 3.07Å; R283-N285 PolarHBondContact O-N 3.01Å |
| 284 | C | 67.6 | Low | 72.6 | Confident | 4 Ų | 4 | 109.7 Ų | 109.7 | 3% | 0.027 | 55% | 0.549 | C | S | . | . | trans | -72.7 | 122.3 | 174.3 | -146.4 | 0 | 0 | 0 | 0 | 110.4 | V246 C249 D258 I260 V282 | V246-C284 VanDerWaalsContact CG1-SG 3.55Å; C249-C284 WeakPolarHBondContact CA-SG 3.09Å; C249-C284 HydrophobicContact CB-CB 3.97Å; C249-C284 WeakPolarHBondContact CB-SG 3.27Å; C249-C284 WeakPolarHBondContact SG-CB 3.46Å; C249-C284 CovalentContact SG-SG 2Å; C249-C284 PolarHBondContact SG-SG 3.01Å; D258-C284 PolarHBondContact O-N 2.73Å; I260-C284 HydrophobicContact CD1-CB 3.65Å; I260-C284 WeakPolarHBondContact CD1-SG 3.32Å; I260-C284 HydrophobicContact CG1-CB 4.22Å; V282-C284 PolarHBondContact O-N 3.1Å | ||
| 285 | N | 64.3 | Low | 72.2 | Confident | 130 Ų | 130 | 112.9 Ų | 112.9 | 70% | 0.695 | 54% | 0.54 | S | S | * | . | trans | -95.6 | 108.7 | 176.3 | -140.6 | 15 | 0 | 0 | 0 | 107.9 | R283 T287 | R283-N285 PolarHBondContact O-N 3.01Å; N285-T287 PolarHBondContact O-N 3.26Å; N285-T287 VanDerWaalsContact O-N 3.08Å | ||
| 286 | W | 57.1 | Low | 71.6 | Confident | 134 Ų | 134 | 104.4 Ų | 104.4 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | trans | -72.1 | 100.1 | 175.2 | -72.4 | 80.6 | 0 | 0 | 0 | 108.2 | C249 A254 | C249-W286 HydrophobicContact CB-CD2 3.8Å; C249-W286 VanDerWaalsContact CB-CE2 3.48Å; C249-W286 HydrophobicContact CB-CE3 4.27Å; C249-W286 HydrophobicContact CB-CG 4.26Å; C249-W286 HydrophobicContact CB-CH2 4.2Å; C249-W286 HydrophobicContact CB-CZ2 3.71Å; C249-W286 HydrophobicContact CB-CZ3 4.45Å; A254-W286 WeakPolarHBondContact O-CZ2 3.42Å | ||
| 287 | T | 57.3 | Low | 70.8 | Confident | 111 Ų | 111 | 103.3 Ų | 103.3 | 68% | 0.681 | 52% | 0.523 | S | S | * | . | trans | -79.7 | 115 | 161.9 | 51.6 | 0 | 0 | 0 | 0 | 107.1 | N285 | N285-T287 PolarHBondContact O-N 3.26Å; N285-T287 VanDerWaalsContact O-N 3.08Å | ||
| 288 | S | 44 | Very low | 69.6 | Low | 191 Ų | 191 | 107.9 Ų | 107.9 | 100% | 1.336 | 53% | 0.531 | S | S | * | . | trans | -57.2 | 0 | 172.2 | 60.9 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 288 of 288 residues in 45.2 ms
(Link to these results)