| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.3 | Very low | 72.8 | Confident | 221 Ų | 221 | 124.1 Ų | 124.1 | 100% | 1.089 | 64% | 0.643 | S | S | * | * | 0 | 75.5 | 0 | -70.5 | -72.3 | -175.4 | 0 | 0 | 102.5 | |||||
| 2 | D | 57.9 | Low | 73.8 | Confident | 110 Ų | 110 | 121.6 Ų | 121.6 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | trans | -96.7 | 133 | -157.6 | -58.4 | -86.1 | 0 | 0 | 0 | 106.1 | D4 D5 | D2-D4 PolarHBondContact O-N 2.82Å; D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.14Å | ||
| 3 | D | 62.7 | Low | 74.4 | Confident | 141 Ų | 141 | 118.5 Ų | 118.5 | 75% | 0.754 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -18.4 | -172.5 | -64.2 | -70.9 | 0 | 0 | 0 | 112.8 | D5 L6 | D3-D5 VanDerWaalsContact C-N 3.32Å; D3-D5 PolarHBondContact O-N 2.87Å; D3-L6 PolarHBondContact O-N 2.81Å |
| 4 | D | 67.1 | Low | 74.9 | Confident | 128 Ų | 128 | 118.5 Ų | 118.5 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.2 | -29.2 | 177 | -63.4 | -55.3 | 0 | 0 | 0 | 114 | D2 L6 | D2-D4 PolarHBondContact O-N 2.82Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 2.79Å |
| 5 | D | 75.6 | Confident | 75.3 | Confident | 105 Ų | 105 | 121.5 Ų | 121.5 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.9 | -24 | 178.9 | -73.2 | -18.7 | 0 | 0 | 0 | 112.2 | D2 D3 L9 | D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.14Å; D3-D5 VanDerWaalsContact C-N 3.32Å; D3-D5 PolarHBondContact O-N 2.87Å; D5-L9 WeakPolarHBondContact O-CG 3.32Å |
| 6 | L | 77.9 | Confident | 75.5 | Confident | 108 Ų | 108 | 122.6 Ų | 122.6 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79 | -36.1 | -177.8 | -174.1 | 63.1 | 0 | 0 | 0 | 111.7 | D3 D4 L9 L10 | D3-L6 PolarHBondContact O-N 2.81Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 2.79Å; L6-L9 PolarHBondContact O-N 3.12Å; L6-L10 PolarHBondContact O-N 3.01Å |
| 7 | D | 80.5 | Confident | 75.6 | Confident | 95 Ų | 95 | 124.7 Ų | 124.7 | 51% | 0.508 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.7 | -38.8 | 179.6 | -71.7 | -24.3 | 0 | 0 | 0 | 111.2 | L9 L10 D11 | D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 2.57Å; D7-L10 PolarHBondContact O-N 2.95Å; D7-L10 VanDerWaalsContact O-N 3.14Å; D7-D11 PolarHBondContact O-N 3.08Å |
| 8 | E | 83.2 | Confident | 74.9 | Confident | 140 Ų | 140 | 121.3 Ų | 121.3 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -36.3 | 176.1 | -173.1 | 165.9 | -161.5 | 0 | 0 | 112.1 | E12 | E8-E12 PolarHBondContact O-N 3.45Å; E8-E12 VanDerWaalsContact O-N 3.13Å |
| 9 | L | 81.4 | Confident | 74.1 | Confident | 106 Ų | 106 | 119.8 Ų | 119.8 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70 | -32.1 | 175.5 | -68.8 | 173 | 0 | 0 | 0 | 112.6 | D5 L6 D7 V13 | D5-L9 WeakPolarHBondContact O-CG 3.32Å; L6-L9 PolarHBondContact O-N 3.12Å; D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 2.57Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.29Å |
| 10 | L | 83.1 | Confident | 73.3 | Confident | 102 Ų | 102 | 124.4 Ų | 124.4 | 53% | 0.534 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.8 | -42.9 | 176.5 | -77.4 | 165.4 | 0 | 0 | 0 | 111.7 | L6 D7 E12 V13 E14 | L6-L10 PolarHBondContact O-N 3.01Å; D7-L10 PolarHBondContact O-N 2.95Å; D7-L10 VanDerWaalsContact O-N 3.14Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 2.85Å; L10-E14 PolarHBondContact O-N 3.28Å |
| 11 | D | 82.1 | Confident | 72.4 | Confident | 109 Ų | 109 | 122.6 Ų | 122.6 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61 | -39 | 174.9 | -82.3 | -8.4 | 0 | 0 | 0 | 111.8 | D7 V13 E14 K15 | D7-D11 PolarHBondContact O-N 3.08Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 3.33Å; D11-E14 PolarHBondContact O-N 3.4Å; D11-K15 WeakPolarHBondContact O-CB 3.06Å; D11-K15 PolarHBondContact O-N 3.38Å |
| 12 | E | 85.1 | Confident | 72.3 | Confident | 94 Ų | 94 | 117.6 Ų | 117.6 | 44% | 0.439 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.2 | -40.4 | 177.7 | -164.9 | -173.3 | 150 | 0 | 0 | 111.9 | E8 L10 K16 | E8-E12 PolarHBondContact O-N 3.45Å; E8-E12 VanDerWaalsContact O-N 3.13Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 3.45Å; E12-K16 HydrophobicContact CG-CD 4.37Å; E12-K16 WeakPolarHBondContact O-CB 3.17Å; E12-K16 WeakPolarHBondContact O-CG 3.49Å; E12-K16 PolarHBondContact O-N 3.39Å; E12-K16 WeakPolarHBondContact OE1-CE 3.19Å; E12-K16 IonicContact OE1-NZ 2.64Å; E12-K16 PolarHBondContact OE1-NZ 3.19Å |
| 13 | V | 81.7 | Confident | 72 | Confident | 82 Ų | 82 | 117.4 Ų | 117.4 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.2 | -43.4 | 177 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L9 L10 D11 K15 K16 F17 | L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 3.29Å; L10-V13 PolarHBondContact O-N 2.85Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 3.33Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 3.22Å; V13-K16 PolarHBondContact O-N 3Å; V13-F17 HydrophobicContact CG1-CD2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.42Å; V13-F17 PolarHBondContact O-N 3.14Å |
| 14 | E | 81.3 | Confident | 71.2 | Confident | 118 Ų | 118 | 115 Ų | 115 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.6 | -42.8 | 176.9 | -171.2 | 171.6 | -177.1 | 0 | 0 | 110.9 | L10 D11 K16 F17 C18 | L10-E14 PolarHBondContact O-N 3.28Å; D11-E14 PolarHBondContact O-N 3.4Å; E14-K16 PolarHBondContact O-N 3.03Å; E14-F17 PolarHBondContact O-N 3.15Å; E14-C18 HydrophobicContact CG-CB 3.71Å; E14-C18 WeakPolarHBondContact O-CA 3.43Å; E14-C18 WeakPolarHBondContact O-CB 3.39Å; E14-C18 PolarHBondContact O-N 2.76Å |
| 15 | K | 80.4 | Confident | 69.8 | Low | 164 Ų | 164 | 114.2 Ų | 114.2 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.9 | -38.1 | 177.5 | -163.4 | 172.2 | -171.1 | 174.6 | 0 | 112.7 | D11 V13 S19 | D11-K15 WeakPolarHBondContact O-CB 3.06Å; D11-K15 PolarHBondContact O-N 3.38Å; V13-K15 VanDerWaalsContact C-N 3.31Å; V13-K15 PolarHBondContact O-N 3.22Å; K15-S19 PolarHBondContact O-OG 3.21Å |
| 16 | K | 78.7 | Confident | 68.1 | Low | 139 Ų | 139 | 115.1 Ų | 115.1 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.9 | -33.8 | 178.2 | -82.9 | 173.9 | 172.5 | 169.1 | 0 | 113.3 | E12 V13 E14 | E12-K16 HydrophobicContact CG-CD 4.37Å; E12-K16 WeakPolarHBondContact O-CB 3.17Å; E12-K16 WeakPolarHBondContact O-CG 3.49Å; E12-K16 PolarHBondContact O-N 3.39Å; E12-K16 WeakPolarHBondContact OE1-CE 3.19Å; E12-K16 IonicContact OE1-NZ 2.64Å; E12-K16 PolarHBondContact OE1-NZ 3.19Å; V13-K16 PolarHBondContact O-N 3Å; E14-K16 PolarHBondContact O-N 3.03Å |
| 17 | F | 77.3 | Confident | 66.1 | Low | 158 Ų | 158 | 113.1 Ų | 113.1 | 69% | 0.693 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -116.3 | -31.9 | -169.8 | -69.3 | -85.4 | 0 | 0 | 0 | 115 | V13 E14 | V13-F17 HydrophobicContact CG1-CD2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.42Å; V13-F17 PolarHBondContact O-N 3.14Å; E14-F17 PolarHBondContact O-N 3.15Å |
| 18 | C | 62.8 | Low | 64 | Low | 63 Ų | 63 | 115.8 Ų | 115.8 | 43% | 0.426 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -88.5 | -14.6 | -176.2 | -67.4 | 0 | 0 | 0 | 0 | 114.5 | E14 K20 A21 | E14-C18 HydrophobicContact CG-CB 3.71Å; E14-C18 WeakPolarHBondContact O-CA 3.43Å; E14-C18 WeakPolarHBondContact O-CB 3.39Å; E14-C18 PolarHBondContact O-N 2.76Å; C18-K20 PolarHBondContact O-N 3.04Å; C18-A21 PolarHBondContact O-N 2.8Å; C18-A21 VanDerWaalsContact O-N 3.12Å |
| 19 | S | 60.3 | Low | 61.9 | Low | 94 Ų | 94 | 120.4 Ų | 120.4 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -61.6 | -10.9 | 177.6 | -60 | 0 | 0 | 0 | 0 | 114.6 | K15 | K15-S19 PolarHBondContact O-OG 3.21Š|
| 20 | K | 58.5 | Low | 59.7 | Low | 211 Ų | 211 | 127.3 Ų | 127.3 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -98.8 | -0.3 | 178.2 | -89.5 | 172.6 | 177.2 | 169.1 | 0 | 115.1 | C18 | C18-K20 PolarHBondContact O-N 3.04Š|
| 21 | A | 54.1 | Low | 57.5 | Low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -6.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | C18 A23 | C18-A21 PolarHBondContact O-N 2.8Å; C18-A21 VanDerWaalsContact O-N 3.12Å; A21-A23 PolarHBondContact O-N 2.85Å |
| 22 | S | 46.8 | Very low | 55.2 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -105.7 | 70.1 | -176.7 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 23 | A | 50.9 | Low | 52.8 | Low | 106 Ų | 106 | 134.7 Ų | 134.7 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -125.1 | 25.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A21 | A21-A23 PolarHBondContact O-N 2.85Š|
| 24 | A | 46.3 | Very low | 50.5 | Low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -151.7 | 72.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 25 | S | 38.3 | Very low | 48.1 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 166.6 | 126.1 | 135.4 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 26 | S | 39.6 | Very low | 45.9 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 54.9 | 129.3 | 161.2 | 61 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 27 | G | 35.9 | Very low | 43.7 | Very low | 65 Ų | 65 | 143.4 Ų | 143.4 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | cis | 158.8 | 170 | 15.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 28 | V | 36.7 | Very low | 41.8 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | 85.7 | 127.8 | 168.3 | -168.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 29 | R | 38.2 | Very low | 40.3 | Very low | 236 Ų | 236 | 151 Ų | 151 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -78.6 | 145.1 | -176.9 | -57.2 | 170.1 | 171.7 | -171.8 | -4.9 | 111.3 | ||||
| 30 | R | 35.4 | Very low | 38.9 | Very low | 252 Ų | 252 | 157.8 Ų | 157.8 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | -174.9 | 132 | 126.1 | -103.5 | 172.9 | -178.7 | -170.9 | 0.8 | 111.3 | |||||
| 31 | S | 36.2 | Very low | 37.7 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -71.6 | 148.5 | -178.6 | -47.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 32 | K | 34.8 | Very low | 36.9 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | -161.2 | 128.4 | 125.6 | -160.6 | 166.4 | -179.9 | 178.3 | 0 | 110.4 | |||||
| 33 | D | 34.1 | Very low | 36.4 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | -39.7 | 157.9 | 166.1 | -73.9 | -81.1 | 0 | 0 | 0 | 113.9 | ||||
| 34 | E | 33.7 | Very low | 35.7 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | cis | -172.9 | 135.5 | 48.4 | -142.6 | 161.7 | 157.3 | 0 | 0 | 111.1 | ||||
| 35 | N | 30.8 | Very low | 35 | Very low | 135 Ų | 135 | 156.4 Ų | 156.4 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 35.3 | 111.1 | 141.2 | -161.9 | 20.5 | 0 | 0 | 0 | 121.7 | ||||
| 36 | K | 35.2 | Very low | 35 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | -157.6 | 118.5 | 128 | -128.2 | 176.7 | -179.9 | -175.3 | 0 | 112.8 | |||||
| 37 | Q | 31.5 | Very low | 35 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -81.2 | 115.1 | 177.8 | 171.9 | -179.8 | -56.5 | 0 | 0 | 110.8 | ||||
| 38 | E | 37 | Very low | 35 | Very low | 185 Ų | 185 | 162.1 Ų | 162.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -140.2 | 103.1 | 159.8 | -70.5 | -163.4 | 137.2 | 0 | 0 | 112.9 | ||||
| 39 | K | 32.7 | Very low | 35.7 | Very low | 196 Ų | 196 | 164.3 Ų | 164.3 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | -30.6 | 122.5 | 154.3 | 176.2 | -175.7 | 177.5 | -178.9 | 0 | 115.7 | ||||
| 40 | W | 29.4 | Very low | 35.9 | Very low | 236 Ų | 236 | 157.1 Ų | 157.1 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -157.2 | 103 | 142.5 | -163.8 | -97.1 | 0 | 0 | 0 | 113.3 | ||||
| 41 | S | 34.2 | Very low | 36.6 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 54% | 0.538 | 78% | 0.776 | S | S | . | * | trans | 54.2 | 113.6 | 132 | -41.6 | 0 | 0 | 0 | 0 | 121 | A43 | S41-A43 PolarHBondContact O-N 3.43Š| ||
| 42 | A | 37.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | trans | -55.6 | 115.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 43 | A | 37.1 | Very low | 38.4 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | trans | -95.7 | 114.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S41 | S41-A43 PolarHBondContact O-N 3.43Š| ||
| 44 | K | 35 | Very low | 39.4 | Very low | 171 Ų | 171 | 141 Ų | 141 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -68 | 120.2 | 173.7 | -148.6 | -176.1 | -168.5 | -140.6 | 0 | 108.2 | E46 | K44-E46 WeakPolarHBondContact CE-OE1 3.48Å; K44-E46 IonicContact NZ-OE1 2.59Å; K44-E46 PolarHBondContact NZ-OE1 2.63Å | ||
| 45 | C | 31.5 | Very low | 41.1 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | trans | -111.2 | 97.2 | 162.8 | -73.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 46 | E | 39.4 | Very low | 43.4 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 60% | 0.603 | 72% | 0.715 | S | S | * | * | trans | -61.9 | 147.4 | 167.4 | -67.4 | -79.8 | 152.4 | 0 | 0 | 110 | K44 H48 | K44-E46 WeakPolarHBondContact CE-OE1 3.48Å; K44-E46 IonicContact NZ-OE1 2.59Å; K44-E46 PolarHBondContact NZ-OE1 2.63Å; E46-H48 PolarHBondContact O-N 3.4Å | ||
| 47 | P | 39.3 | Very low | 45.3 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -76.6 | 110.9 | 174.6 | 30.1 | -29.3 | 0 | 0 | 0 | 109.7 | K49 | P47-K49 PolarHBondContact O-N 2.71Å; P47-K49 VanDerWaalsContact O-N 3.09Å | ||
| 48 | H | 36.6 | Very low | 47.6 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | trans | -71.7 | 101 | 171.7 | -141.8 | -93.6 | 0 | 0 | 0 | 108.8 | E46 S50 | E46-H48 PolarHBondContact O-N 3.4Å; H48-S50 PolarHBondContact O-N 3.06Å; H48-S50 VanDerWaalsContact O-N 3.13Å | ||
| 49 | K | 49.9 | Very low | 49.5 | Very low | 199 Ų | 199 | 122 Ų | 122 | 87% | 0.865 | 67% | 0.671 | S | S | * | * | trans | -71.4 | 94.3 | 165.4 | -75.7 | 177.2 | 176.3 | 178.4 | 0 | 108.1 | P47 | P47-K49 PolarHBondContact O-N 2.71Å; P47-K49 VanDerWaalsContact O-N 3.09Å | ||
| 50 | S | 43.1 | Very low | 51.6 | Low | 85 Ų | 85 | 117 Ų | 117 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | trans | -98.4 | 104.5 | 163.7 | 56.1 | 0 | 0 | 0 | 0 | 109.1 | H48 V52 | H48-S50 PolarHBondContact O-N 3.06Å; H48-S50 VanDerWaalsContact O-N 3.13Å; S50-V52 PolarHBondContact O-N 3.34Å | ||
| 51 | S | 50.3 | Low | 53.9 | Low | 77 Ų | 77 | 111.6 Ų | 111.6 | 54% | 0.538 | 64% | 0.638 | S | S | . | * | trans | -42.7 | 90.9 | 158.1 | 161.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | V | 55.3 | Low | 55.7 | Low | 85 Ų | 85 | 114.6 Ų | 114.6 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | trans | -134.1 | -4 | 171.1 | -178.6 | 0 | 0 | 0 | 0 | 111 | S50 I56 | S50-V52 PolarHBondContact O-N 3.34Å; V52-I56 WeakPolarHBondContact O-CD1 3.26Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å | ||
| 53 | S | 53.2 | Low | 57 | Low | 77 Ų | 77 | 116.4 Ų | 116.4 | 54% | 0.538 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -81 | -34 | 176.9 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | D55 I56 | S53-D55 VanDerWaalsContact C-N 3.31Å; S53-D55 PolarHBondContact O-N 3.13Å; S53-I56 PolarHBondContact O-N 2.99Å |
| 54 | E | 55.8 | Low | 58 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.3 | -27.7 | -176.5 | -73.1 | 150.2 | -168.2 | 0 | 0 | 112.4 | ||
| 55 | D | 68.8 | Low | 59.2 | Low | 99 Ų | 99 | 117 Ų | 117 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.2 | -22.4 | 177.2 | -58.8 | -39.7 | 0 | 0 | 0 | 112.9 | S53 L59 | S53-D55 VanDerWaalsContact C-N 3.31Å; S53-D55 PolarHBondContact O-N 3.13Å; D55-L59 WeakPolarHBondContact O-CG 3.44Å; D55-L59 PolarHBondContact O-N 3.2Å |
| 56 | I | 78.4 | Confident | 60.2 | Low | 98 Ų | 98 | 117.7 Ų | 117.7 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77.4 | -41.2 | -180 | -63.2 | 170.4 | 0 | 0 | 0 | 110.2 | V52 S53 A58 L59 L60 | V52-I56 WeakPolarHBondContact O-CD1 3.26Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å; S53-I56 PolarHBondContact O-N 2.99Å; I56-A58 VanDerWaalsContact C-N 3.32Å; I56-A58 PolarHBondContact O-N 2.65Å; I56-L59 PolarHBondContact O-N 2.84Å; I56-L60 HydrophobicContact CG2-CD1 4.29Å; I56-L60 PolarHBondContact O-N 2.82Å; I56-L60 VanDerWaalsContact O-N 3.16Å |
| 57 | D | 75.9 | Confident | 61 | Low | 105 Ų | 105 | 119.4 Ų | 119.4 | 56% | 0.561 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.2 | -35.5 | 179.4 | -66.2 | -32.4 | 0 | 0 | 0 | 111.1 | L59 L60 E61 | D57-L59 PolarHBondContact O-N 3.02Å; D57-L60 PolarHBondContact O-N 3.33Å; D57-E61 PolarHBondContact O-N 3.04Å |
| 58 | A | 78.9 | Confident | 61.5 | Low | 62 Ų | 62 | 124.4 Ų | 124.4 | 51% | 0.512 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.6 | -37 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I56 L60 E62 | I56-A58 VanDerWaalsContact C-N 3.32Å; I56-A58 PolarHBondContact O-N 2.65Å; A58-L60 VanDerWaalsContact C-N 3.34Å; A58-E62 PolarHBondContact O-N 2.96Å |
| 59 | L | 77.1 | Confident | 62 | Low | 107 Ų | 107 | 121.4 Ų | 121.4 | 56% | 0.56 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.8 | -24.2 | 175.7 | -70.4 | 171.6 | 0 | 0 | 0 | 113.1 | D55 I56 D57 | D55-L59 WeakPolarHBondContact O-CG 3.44Å; D55-L59 PolarHBondContact O-N 3.2Å; I56-L59 PolarHBondContact O-N 2.84Å; D57-L59 PolarHBondContact O-N 3.02Å |
| 60 | L | 77.3 | Confident | 61.4 | Low | 92 Ų | 92 | 117.6 Ų | 117.6 | 48% | 0.482 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73.2 | -39.2 | 175.9 | -88.5 | 160.5 | 0 | 0 | 0 | 111.9 | I56 D57 A58 L63 L64 | I56-L60 HydrophobicContact CG2-CD1 4.29Å; I56-L60 PolarHBondContact O-N 2.82Å; I56-L60 VanDerWaalsContact O-N 3.16Å; D57-L60 PolarHBondContact O-N 3.33Å; A58-L60 VanDerWaalsContact C-N 3.34Å; L60-L63 PolarHBondContact O-N 3.31Å; L60-L64 WeakPolarHBondContact O-CD1 3.16Å; L60-L64 PolarHBondContact O-N 2.91Å |
| 61 | E | 77.8 | Confident | 61.5 | Low | 123 Ų | 123 | 118.3 Ų | 118.3 | 58% | 0.575 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.1 | -39 | 177.8 | -152.2 | 88.1 | -121.7 | 0 | 0 | 111.2 | D57 L63 L64 E65 | D57-E61 PolarHBondContact O-N 3.04Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.45Å; E61-L64 PolarHBondContact O-N 3.07Å; E61-E65 PolarHBondContact O-N 3.08Å |
| 62 | E | 71.6 | Confident | 61.1 | Low | 139 Ų | 139 | 120.5 Ų | 120.5 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.5 | -33.9 | 178 | -170.3 | 176.7 | 102.6 | 0 | 0 | 113.1 | A58 | A58-E62 PolarHBondContact O-N 2.96Å |
| 63 | L | 64 | Low | 60.5 | Low | 148 Ų | 148 | 125.3 Ų | 125.3 | 78% | 0.775 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.4 | -16.3 | 177.4 | -76.2 | 169.3 | 0 | 0 | 0 | 114 | L60 E61 | L60-L63 PolarHBondContact O-N 3.31Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.45Å |
| 64 | L | 59.7 | Low | 59.8 | Low | 132 Ų | 132 | 127.6 Ų | 127.6 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -93.5 | -16.6 | -178 | -80 | 159.1 | 0 | 0 | 0 | 113.1 | L60 E61 | L60-L64 WeakPolarHBondContact O-CD1 3.16Å; L60-L64 PolarHBondContact O-N 2.91Å; E61-L64 PolarHBondContact O-N 3.07Å |
| 65 | E | 58.6 | Low | 58.9 | Low | 147 Ų | 147 | 131.4 Ų | 131.4 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -88.7 | -0.4 | -175.7 | -78.1 | -178.6 | 161.7 | 0 | 0 | 115.1 | E61 | E61-E65 PolarHBondContact O-N 3.08Š|
| 66 | D | 53.7 | Low | 57.2 | Low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -104.4 | 19.5 | -174 | -93.5 | -25.9 | 0 | 0 | 0 | 116.7 | ||
| 67 | D | 56.1 | Low | 55.1 | Low | 165 Ų | 165 | 134.7 Ų | 134.7 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | -148.1 | 70.8 | 171.2 | -100.9 | -37.3 | 0 | 0 | 0 | 113.5 | ||||
| 68 | Y | 48.9 | Very low | 53.4 | Low | 216 Ų | 216 | 137.9 Ų | 137.9 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | -152.5 | 99.2 | 152.8 | -162.6 | -108.3 | 0 | 0 | 0 | 114.6 | ||||
| 69 | D | 46.9 | Very low | 50.9 | Low | 116 Ų | 116 | 143.9 Ų | 143.9 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | 44.4 | 115.4 | 143 | -158.8 | 16.8 | 0 | 0 | 0 | 120.8 | ||||
| 70 | S | 37.7 | Very low | 48.9 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -155.1 | 111.6 | 137.5 | -80 | 0 | 0 | 0 | 0 | 112 | ||||
| 71 | S | 45.7 | Very low | 46.7 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 153.4 | 161.3 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 72 | P | 41.2 | Very low | 45 | Very low | 123 Ų | 123 | 153.1 Ų | 153.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -145 | 163.8 | 105.2 | 30.5 | -10.9 | 0 | 0 | 0 | 116.5 | |||||
| 73 | Q | 43.8 | Very low | 43.2 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -52.1 | 144.4 | -175.2 | -62.7 | 162.4 | -83.3 | 0 | 0 | 117.2 | ||||
| 74 | S | 37.3 | Very low | 41.9 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -152.7 | 140 | 138.3 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 75 | K | 38.3 | Very low | 40.4 | Very low | 215 Ų | 215 | 154.6 Ų | 154.6 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -69.9 | 151.7 | -171.1 | -59.2 | 164 | 176.6 | 173.7 | 0 | 112.6 | ||||
| 76 | G | 32 | Very low | 39.4 | Very low | 68 Ų | 68 | 156 Ų | 156 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 160.5 | 75.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 77 | E | 34.3 | Very low | 38.5 | Very low | 198 Ų | 198 | 157.6 Ų | 157.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | 68.3 | 146.4 | 140.4 | -59.3 | -176.6 | 133.3 | 0 | 0 | 122.7 | ||||
| 78 | Q | 39.5 | Very low | 37.7 | Very low | 171 Ų | 171 | 159 Ų | 159 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -70.5 | 151.9 | -165.6 | -67.2 | 160.1 | -42.8 | 0 | 0 | 113.6 | ||||
| 79 | F | 27.2 | Very low | 37.4 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | -175.5 | 126.6 | 104.9 | -113 | -96.2 | 0 | 0 | 0 | 114.3 | |||||
| 80 | S | 36 | Very low | 37.3 | Very low | 101 Ų | 101 | 154.7 Ų | 154.7 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 52.1 | 121.1 | 145.7 | 70.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 81 | K | 30.3 | Very low | 37.5 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | 124.6 | 97.4 | 116 | -160.6 | 170.9 | -176.9 | 176.1 | 0 | 115.1 | |||||
| 82 | R | 43.1 | Very low | 37.7 | Very low | 222 Ų | 222 | 156.9 Ų | 156.9 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 55.7 | 90 | 138.4 | -162.3 | -176.9 | -148.6 | 162.5 | 7.2 | 116.2 | ||||
| 83 | E | 32 | Very low | 38 | Very low | 193 Ų | 193 | 153.1 Ų | 153.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -105.5 | 128 | 158.7 | -81.4 | 175.8 | 125.4 | 0 | 0 | 110.7 | ||||
| 84 | Q | 37.1 | Very low | 38.1 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -70.4 | 132.4 | 176.4 | -64.2 | -176.5 | 6 | 0 | 0 | 108.1 | E86 | Q84-E86 VanDerWaalsContact C-N 3.3Å; Q84-E86 PolarHBondContact O-N 3.37Å | ||
| 85 | A | 28.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | -59.5 | 94.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K87 | A85-K87 PolarHBondContact O-N 3.45Š| ||
| 86 | E | 38.5 | Very low | 40.5 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -65 | 89.2 | 160.3 | -69.5 | -160.7 | 137.3 | 0 | 0 | 107.4 | Q84 K88 | Q84-E86 VanDerWaalsContact C-N 3.3Å; Q84-E86 PolarHBondContact O-N 3.37Å; E86-K88 PolarHBondContact O-N 3.17Å | ||
| 87 | K | 34.2 | Very low | 42.7 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | -64.6 | 89.8 | 166.5 | -68.3 | -179.7 | -179.4 | 179.5 | 0 | 107.4 | A85 L89 | A85-K87 PolarHBondContact O-N 3.45Å; K87-L89 PolarHBondContact O-N 3.26Å | ||
| 88 | K | 39.3 | Very low | 45 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | trans | -57.2 | 86.9 | 157.9 | -79.1 | -176.2 | 178 | -178.1 | 0 | 108.4 | E86 | E86-K88 PolarHBondContact O-N 3.17Š| ||
| 89 | L | 42.7 | Very low | 46.9 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | trans | -99.4 | 65.7 | 160.7 | -67.7 | 178.5 | 0 | 0 | 0 | 108.3 | K87 S91 | K87-L89 PolarHBondContact O-N 3.26Å; L89-S91 PolarHBondContact O-N 3.43Å | ||
| 90 | S | 44.1 | Very low | 49.5 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | trans | -79.1 | 70.1 | 153.8 | -172.4 | 0 | 0 | 0 | 0 | 107.1 | Q92 | S90-Q92 VanDerWaalsContact C-N 3.25Å; S90-Q92 PolarHBondContact O-N 3.16Å | ||
| 91 | S | 43.1 | Very low | 52 | Low | 93 Ų | 93 | 122.7 Ų | 122.7 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | trans | -68.1 | 95.9 | 162.2 | -62.6 | 0 | 0 | 0 | 0 | 105.5 | L89 S93 | L89-S91 PolarHBondContact O-N 3.43Å; S91-S93 PolarHBondContact O-N 3.02Å | ||
| 92 | Q | 47.9 | Very low | 54.9 | Low | 173 Ų | 173 | 114.7 Ų | 114.7 | 81% | 0.808 | 61% | 0.61 | S | S | * | * | trans | -57.8 | 95.1 | 169.2 | -66.3 | -177.8 | 27.9 | 0 | 0 | 107.1 | S90 A94 | S90-Q92 VanDerWaalsContact C-N 3.25Å; S90-Q92 PolarHBondContact O-N 3.16Å; Q92-A94 PolarHBondContact O-N 3.15Å | ||
| 93 | S | 47.9 | Very low | 57.3 | Low | 43 Ų | 43 | 104.1 Ų | 104.1 | 30% | 0.301 | 57% | 0.57 | S | S | . | * | trans | -73.2 | 80.1 | 175.4 | 59.6 | 0 | 0 | 0 | 0 | 107.6 | S91 G95 R96 V112 | S91-S93 PolarHBondContact O-N 3.02Å; S93-G95 PolarHBondContact O-N 3.41Å; S93-R96 PolarHBondContact O-N 2.94Å; S93-V112 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 94 | A | 46.6 | Very low | 60.2 | Low | 101 Ų | 101 | 95 Ų | 95 | 84% | 0.835 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 107.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q92 | Q92-A94 PolarHBondContact O-N 3.15Š|
| 95 | G | 58.5 | Low | 62.9 | Low | 84 Ų | 84 | 86.9 Ų | 86.9 | 87% | 0.866 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | 2.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | S93 | S93-G95 PolarHBondContact O-N 3.41Š|
| 96 | R | 67.6 | Low | 66 | Low | 165 Ų | 165 | 83.9 Ų | 83.9 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | trans | -99.2 | 113.2 | 176.6 | -62.3 | -173.1 | 133.1 | -135.1 | -1.1 | 111.1 | S93 V112 | S93-R96 PolarHBondContact O-N 2.94Å; R96-V112 HydrophobicContact CB-CG1 3.96Å | ||
| 97 | K | 77.5 | Confident | 68.4 | Low | 111 Ų | 111 | 80.4 Ų | 80.4 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | trans | -95.5 | 148.6 | 174.4 | 59.3 | 171.4 | 177.8 | -84.6 | 0 | 111.1 | C99 I198 C203 | K97-C99 PolarHBondContact O-N 3.31Å; K97-I198 HydrophobicContact CB-CD1 4.36Å; K97-C203 PolarHBondContact NZ-SG 3.25Å; K97-C203 VanDerWaalsContact NZ-SG 3.4Å | ||
| 98 | C | 82.3 | Confident | 71 | Confident | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.041 | 43% | 0.429 | C | S | . | . | trans | -65 | 132.6 | 170.3 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | V101 V112 G113 C121 I198 | C98-V101 HydrophobicContact CB-CG2 4.46Å; C98-V112 VanDerWaalsContact SG-CA 3.54Å; C98-G113 VanDerWaalsContact CA-O 3.26Å; C98-G113 WeakPolarHBondContact CA-O 3.44Å; C98-G113 PolarHBondContact SG-N 3.3Å; C98-C121 HydrophobicContact CB-CB 4.23Å; C98-C121 VanDerWaalsContact SG-CB 3.58Å; C98-C121 PolarHBondContact SG-SG 3.23Å; C98-I198 HydrophobicContact CB-CD1 3.65Å; C98-I198 HydrophobicContact CB-CG1 4.22Å; C98-I198 WeakPolarHBondContact O-CD1 3.05Å | ||
| 99 | C | 79.3 | Confident | 73.4 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 57% | 0.568 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -158.5 | 114.4 | 170.9 | -167.3 | 0 | 0 | 0 | 0 | 110.3 | K97 G113 | K97-C99 PolarHBondContact O-N 3.31Å; C99-G113 PolarHBondContact N-O 3.15Å; C99-G113 VanDerWaalsContact N-O 3.07Å |
| 100 | P | 82.3 | Confident | 75.5 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 22% | 0.221 | 39% | 0.39 | C | S | . | . | S | Bend | cis | -69.1 | 168.9 | -7.8 | 28.8 | -32.5 | 0 | 0 | 0 | 112.8 | F102 | P100-F102 HydrophobicContact CB-CE2 4.49Å; P100-F102 HydrophobicContact CB-CZ 4.43Å; P100-F102 HydrophobicContact CG-CE1 4.35Å; P100-F102 HydrophobicContact CG-CE2 3.6Å; P100-F102 HydrophobicContact CG-CZ 3.49Å; P100-F102 VanDerWaalsContact CG-CZ 3.49Å |
| 101 | V | 89.6 | Confident | 77.5 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | trans | -91.6 | 119.4 | -177.5 | -168.3 | 0 | 0 | 0 | 0 | 109.3 | C98 C121 L124 L188 I198 | C98-V101 HydrophobicContact CB-CG2 4.46Å; V101-C121 HydrophobicContact CG1-CB 3.88Å; V101-L124 HydrophobicContact CG1-CD2 3.58Å; V101-L188 HydrophobicContact CB-CB 4.17Å; V101-L188 HydrophobicContact CB-CD2 4.26Å; V101-L188 HydrophobicContact CG1-CB 4.31Å; V101-L188 HydrophobicContact CG1-CD2 3.86Å; V101-L188 WeakPolarHBondContact O-CB 3.28Å; V101-L188 PolarHBondContact O-N 2.82Å; V101-I198 HydrophobicContact CG1-CG1 4.27Å; V101-I198 HydrophobicContact CG2-CD1 3.53Å; V101-I198 HydrophobicContact CG2-CG1 3.83Å | ||
| 102 | F | 91 | Very high | 79.4 | Confident | 25 Ų | 25 | 56 Ų | 56 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.6 | 176.8 | -60.5 | -77.3 | 0 | 0 | 0 | 111.3 | P100 K118 S120 C121 T185 T186 D187 | P100-F102 HydrophobicContact CB-CE2 4.49Å; P100-F102 HydrophobicContact CB-CZ 4.43Å; P100-F102 HydrophobicContact CG-CE1 4.35Å; P100-F102 HydrophobicContact CG-CE2 3.6Å; P100-F102 HydrophobicContact CG-CZ 3.49Å; P100-F102 VanDerWaalsContact CG-CZ 3.49Å; F102-K118 HydrophobicContact CE2-CG 4.21Å; F102-K118 HydrophobicContact CZ-CG 4.3Å; F102-S120 WeakPolarHBondContact O-CA 3.22Å; F102-C121 PolarHBondContact O-N 3.07Å; F102-T185 HydrophobicContact CB-CG2 3.88Å; F102-T185 HydrophobicContact CD1-CG2 4.15Å; F102-T185 HydrophobicContact CG-CG2 4.16Å; F102-T186 WeakPolarHBondContact CA-O 3.49Å; F102-D187 HydrophobicContact CD1-CB 4.06Å; F102-D187 HydrophobicContact CE1-CB 3.96Å |
| 103 | I | 93.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148.5 | 164.6 | 56.5 | 177.4 | 0 | 0 | 0 | 107.8 | L124 Y173 F180 T185 T186 L188 Q191 L194 | I103-L124 HydrophobicContact CG2-CD1 3.82Å; I103-Y173 HydrophobicContact CB-CE2 4.45Å; I103-Y173 HydrophobicContact CG2-CE1 4.34Å; I103-F180 HydrophobicContact CD1-CD1 3.79Å; I103-F180 HydrophobicContact CD1-CE1 3.55Å; I103-F180 HydrophobicContact CG1-CE1 4.5Å; I103-T185 CarbonylContact O-C 3.36Å; I103-T185 WeakPolarHBondContact O-CA 3.49Å; I103-T186 PolarHBondContact N-O 2.87Å; I103-T186 PolarHBondContact O-N 3.29Å; I103-T186 VanDerWaalsContact O-O 3.13Å; I103-L188 HydrophobicContact CD1-CD1 4.15Å; I103-L188 HydrophobicContact CG2-CD1 4.19Å; I103-Q191 HydrophobicContact CD1-CG 4.37Å; I103-L194 HydrophobicContact CD1-CD1 3.65Å |
| 104 | G | 93.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -169.4 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S120 R171 Y173 E184 | G104-S120 PolarHBondContact N-OG 3.3Å; G104-R171 WeakPolarHBondContact O-CB 3.25Å; G104-R171 WeakPolarHBondContact O-CD 3.4Å; G104-Y173 PolarHBondContact N-OH 3.26Å; G104-Y173 WeakPolarHBondContact O-CE2 3.3Å; G104-Y173 PolarHBondContact O-OH 3.22Å; G104-E184 WeakPolarHBondContact CA-O 3.35Å | ||
| 105 | G | 93.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -69.9 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S107 V108 G169 R171 S182 S183 | G105-S107 PolarHBondContact O-N 2.85Å; G105-V108 WeakPolarHBondContact O-CB 3.44Å; G105-V108 PolarHBondContact O-N 2.89Å; G105-V108 VanDerWaalsContact O-N 3.07Å; G105-G169 WeakPolarHBondContact CA-O 2.99Å; G105-R171 PolarHBondContact O-NH1 3.02Å; G105-S182 WeakPolarHBondContact CA-O 3.37Å; G105-S182 PolarHBondContact N-O 3.17Å; G105-S183 VanDerWaalsContact CA-O 3.28Å; G105-S183 WeakPolarHBondContact CA-O 3.04Å; G105-S183 PolarHBondContact N-O 2.92Å; G105-S183 VanDerWaalsContact N-O 3.08Å | ||
| 106 | S | 92.8 | Very high | 83.7 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.9 | -177.2 | 56.3 | 0 | 0 | 0 | 0 | 114 | V108 D138 G169 L170 | S106-V108 PolarHBondContact O-N 3.28Å; S106-D138 VanDerWaalsContact CB-OD1 3.32Å; S106-D138 WeakPolarHBondContact CB-OD1 3.48Å; S106-D138 PolarHBondContact OG-OD1 2.85Å; S106-G169 PolarHBondContact N-O 3.35Å; S106-G169 WeakPolarHBondContact OG-CA 3.39Å; S106-G169 PolarHBondContact OG-N 2.85Å; S106-G169 VanDerWaalsContact OG-N 3.08Å; S106-L170 PolarHBondContact OG-O 2.98Å |
| 107 | S | 89.3 | Confident | 84.3 | Confident | 105 Ų | 105 | 44 Ų | 44 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.8 | 173 | -54 | 0 | 0 | 0 | 0 | 113.3 | G105 | G105-S107 PolarHBondContact O-N 2.85Š|
| 108 | V | 89.1 | Confident | 84.6 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -95.1 | 126.6 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | G105 S106 N110 S120 R171 T185 | G105-V108 WeakPolarHBondContact O-CB 3.44Å; G105-V108 PolarHBondContact O-N 2.89Å; G105-V108 VanDerWaalsContact O-N 3.07Å; S106-V108 PolarHBondContact O-N 3.28Å; V108-N110 PolarHBondContact O-N 2.62Å; V108-N110 PolarHBondContact O-OD1 2.78Å; V108-S120 WeakPolarHBondContact CG1-OG 3.41Å; V108-R171 PolarHBondContact O-NH1 3.46Å; V108-R171 VanDerWaalsContact O-NH1 3.13Å; V108-T185 HydrophobicContact CG1-CG2 4.46Å; V108-T185 WeakPolarHBondContact CG2-OG1 3.11Å |
| 109 | T | 88.3 | Confident | 84.9 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 135.2 | 178.4 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | R119 S120 | T109-R119 WeakPolarHBondContact O-CA 3.28Å; T109-R119 WeakPolarHBondContact O-CB 3.08Å; T109-R119 WeakPolarHBondContact OG1-CG 3.2Å; T109-R119 PolarHBondContact OG1-NH1 3.05Å; T109-S120 PolarHBondContact O-N 2.54Å |
| 110 | N | 87.7 | Confident | 85.5 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -83.1 | 158 | 177.3 | -56.8 | 54.6 | 0 | 0 | 0 | 111.4 | V108 S120 R171 | V108-N110 PolarHBondContact O-N 2.62Å; V108-N110 PolarHBondContact O-OD1 2.78Å; N110-S120 CarbonylContact C-O 3.56Å; N110-S120 VanDerWaalsContact CA-O 3.26Å; N110-S120 WeakPolarHBondContact CA-O 3.39Å; N110-R171 PolarHBondContact ND2-NH1 2.77Å; N110-R171 PolarHBondContact ND2-NH2 3.45Å; N110-R171 PolarHBondContact OD1-NH1 2.77Å; N110-R171 PolarHBondContact OD1-NH2 3.4Å |
| 111 | G | 85.3 | Confident | 85.8 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 124.4 | -156 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G113 S120 | G111-G113 PolarHBondContact O-N 2.91Å; G111-G113 VanDerWaalsContact O-N 3.15Å; G111-S120 PolarHBondContact N-O 3.49Å |
| 112 | V | 83.6 | Confident | 85.8 | Confident | 27 Ų | 27 | 46 Ų | 46 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | trans | -76 | 107.2 | -172.9 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | S93 R96 C98 | S93-V112 WeakPolarHBondContact OG-CG2 3.38Å; R96-V112 HydrophobicContact CB-CG1 3.96Å; C98-V112 VanDerWaalsContact SG-CA 3.54Å | ||
| 113 | G | 76.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -74 | 129.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C98 C99 G111 S117 | C98-G113 VanDerWaalsContact CA-O 3.26Å; C98-G113 WeakPolarHBondContact CA-O 3.44Å; C98-G113 PolarHBondContact SG-N 3.3Å; C99-G113 PolarHBondContact N-O 3.15Å; C99-G113 VanDerWaalsContact N-O 3.07Å; G111-G113 PolarHBondContact O-N 2.91Å; G111-G113 VanDerWaalsContact O-N 3.15Å; G113-S117 WeakPolarHBondContact CA-O 3.35Å | ||
| 114 | T | 73.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -120 | 166.2 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 109.3 | T116 S117 | T114-T116 PolarHBondContact O-N 2.93Å; T114-S117 PolarHBondContact N-O 2.74Å; T114-S117 CarbonylContact O-C 3.59Å; T114-S117 PolarHBondContact O-N 2.59Å |
| 115 | A | 70.4 | Confident | 85.7 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 79% | 0.793 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -28.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 116 | T | 72.4 | Confident | 85.7 | Confident | 142 Ų | 142 | 51.3 Ų | 51.3 | 87% | 0.871 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -16.4 | 178.9 | -41.3 | 0 | 0 | 0 | 0 | 113.3 | T114 | T114-T116 PolarHBondContact O-N 2.93Š|
| 117 | S | 79.3 | Confident | 85.7 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -131.5 | 104.5 | -174.6 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | G113 T114 R119 | G113-S117 WeakPolarHBondContact CA-O 3.35Å; T114-S117 PolarHBondContact N-O 2.74Å; T114-S117 CarbonylContact O-C 3.59Å; T114-S117 PolarHBondContact O-N 2.59Å; S117-R119 PolarHBondContact O-N 3.13Å; S117-R119 PolarHBondContact OG-NE 3.05Å |
| 118 | K | 83.2 | Confident | 85.9 | Confident | 155 Ų | 155 | 52.8 Ų | 52.8 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | trans | -72.4 | 111 | 172.9 | -65.1 | -177.5 | -178.2 | 179.4 | 0 | 109.1 | F102 | F102-K118 HydrophobicContact CE2-CG 4.21Å; F102-K118 HydrophobicContact CZ-CG 4.3Å | ||
| 119 | R | 89.3 | Confident | 86.1 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | trans | -138.1 | 146.4 | 179.2 | -59.8 | -170.3 | -179.5 | -101.2 | 4 | 109.6 | T109 S117 | T109-R119 WeakPolarHBondContact O-CA 3.28Å; T109-R119 WeakPolarHBondContact O-CB 3.08Å; T109-R119 WeakPolarHBondContact OG1-CG 3.2Å; T109-R119 PolarHBondContact OG1-NH1 3.05Å; S117-R119 PolarHBondContact O-N 3.13Å; S117-R119 PolarHBondContact OG-NE 3.05Å | ||
| 120 | S | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 124.6 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 110 | F102 G104 V108 T109 N110 G111 D122 | F102-S120 WeakPolarHBondContact O-CA 3.22Å; G104-S120 PolarHBondContact N-OG 3.3Å; V108-S120 WeakPolarHBondContact CG1-OG 3.41Å; T109-S120 PolarHBondContact O-N 2.54Å; N110-S120 CarbonylContact C-O 3.56Å; N110-S120 VanDerWaalsContact CA-O 3.26Å; N110-S120 WeakPolarHBondContact CA-O 3.39Å; G111-S120 PolarHBondContact N-O 3.49Å; S120-D122 PolarHBondContact O-N 3.22Å |
| 121 | C | 90.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | trans | -68.3 | 131.9 | -178.3 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | C98 V101 F102 L124 | C98-C121 HydrophobicContact CB-CB 4.23Å; C98-C121 VanDerWaalsContact SG-CB 3.58Å; C98-C121 PolarHBondContact SG-SG 3.23Å; V101-C121 HydrophobicContact CG1-CB 3.88Å; F102-C121 PolarHBondContact O-N 3.07Å; C121-L124 HydrophobicContact CB-CD1 4.44Å; C121-L124 HydrophobicContact CB-CD2 3.92Å; C121-L124 HydrophobicContact CB-CG 4.01Å | ||
| 122 | D | 89.2 | Confident | 87 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -99 | -10.5 | 179.1 | 63.6 | -26.7 | 0 | 0 | 0 | 114.4 | S120 M135 | S120-D122 PolarHBondContact O-N 3.22Å; D122-M135 VanDerWaalsContact CA-CE 3.44Å; D122-M135 HydrophobicContact CB-CE 3.55Å |
| 123 | Q | 89 | Confident | 87.5 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 29% | 0.29 | 31% | 0.312 | S | S | . | . | trans | -108.1 | 45.4 | -177.7 | -64 | -177.4 | 34.5 | 0 | 0 | 111.9 | I198 H199 | Q123-I198 HydrophobicContact CB-CG2 4.33Å; Q123-I198 CarbonylContact O-C 3.52Å; Q123-I198 WeakPolarHBondContact O-CA 3.23Å; Q123-H199 PolarHBondContact O-N 2.78Å | ||
| 124 | L | 92 | Very high | 88.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 142 | -179.9 | -66.5 | 173.8 | 0 | 0 | 0 | 112 | V101 I103 C121 V133 L188 W196 N197 | V101-L124 HydrophobicContact CG1-CD2 3.58Å; I103-L124 HydrophobicContact CG2-CD1 3.82Å; C121-L124 HydrophobicContact CB-CD1 4.44Å; C121-L124 HydrophobicContact CB-CD2 3.92Å; C121-L124 HydrophobicContact CB-CG 4.01Å; L124-V133 HydrophobicContact CB-CB 3.76Å; L124-V133 HydrophobicContact CB-CG2 3.84Å; L124-V133 PolarHBondContact O-N 2.92Å; L124-L188 HydrophobicContact CD2-CD2 4.26Å; L124-W196 HydrophobicContact CD1-CE3 4.42Å; L124-N197 CarbonylContact C-O 3.5Å; L124-N197 VanDerWaalsContact CA-O 3.22Å; L124-N197 WeakPolarHBondContact CA-O 3.22Å |
| 125 | R | 93.3 | Very high | 89.5 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.2 | 174.9 | -169.9 | 169.9 | -166.9 | -157.7 | 3.1 | 110.1 | D130 W196 N197 H199 | R125-D130 IonicContact CZ-OD1 3.64Å; R125-D130 IonicContact CZ-OD2 3.99Å; R125-D130 PolarHBondContact NE-O 2.95Å; R125-D130 IonicContact NE-OD1 3.34Å; R125-D130 PolarHBondContact NE-OD1 2.85Å; R125-D130 IonicContact NH1-OD1 2.96Å; R125-D130 PolarHBondContact NH1-OD1 3.48Å; R125-D130 IonicContact NH1-OD2 2.65Å; R125-D130 PolarHBondContact NH2-O 3.27Å; R125-D130 VanDerWaalsContact NH2-O 3.13Å; R125-D130 IonicContact NH2-OD1 3.2Å; R125-D130 PolarHBondContact NH2-OD1 3.32Å; R125-D130 IonicContact NH2-OD2 2.62Å; R125-D130 PolarHBondContact NH2-OD2 3.27Å; R125-W196 CarbonylContact O-C 3.58Å; R125-W196 VanDerWaalsContact O-CA 3.27Å; R125-W196 WeakPolarHBondContact O-CA 3.33Å; R125-N197 PolarHBondContact N-O 3.1Å; R125-N197 PolarHBondContact O-N 2.86Å; R125-N197 PolarHBondContact O-OD1 2.92Å; R125-H199 HydrophobicContact CB-CB 4.14Å; R125-H199 WeakPolarHBondContact CD-CD2 3.27Å; R125-H199 PolarHBondContact NH1-CD2 2.99Å; R125-H199 PolarHBondContact NH1-NE2 2.68Å |
| 126 | C | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 131.3 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | S128 C129 D130 F131 C175 R195 | C126-S128 VanDerWaalsContact C-N 3.29Å; C126-S128 PolarHBondContact O-N 3.49Å; C126-S128 PolarHBondContact SG-N 3.47Å; C126-S128 VanDerWaalsContact SG-N 3.43Å; C126-C129 VanDerWaalsContact SG-SG 3.68Å; C126-D130 WeakPolarHBondContact O-CA 3.44Å; C126-D130 PolarHBondContact O-N 3.49Å; C126-F131 PolarHBondContact N-O 3.16Å; C126-C175 HydrophobicContact CB-CB 3.79Å; C126-R195 CarbonylContact C-O 3.59Å |
| 127 | N | 92.4 | Very high | 91.8 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -21.8 | 178.7 | -57.1 | 19.6 | 0 | 0 | 0 | 112.8 | R195 N197 | N127-R195 HydrophobicContact CB-CB 4.37Å; N127-R195 WeakPolarHBondContact CB-O 3.35Å; N127-R195 PolarHBondContact N-O 3.44Å; N127-R195 PolarHBondContact OD1-O 3.32Å; N127-N197 WeakPolarHBondContact OD1-CB 3.4Å; N127-N197 PolarHBondContact OD1-ND2 2.98Å |
| 128 | S | 93.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -44.7 | -176.2 | -59.4 | 0 | 0 | 0 | 0 | 113 | C126 R195 | C126-S128 VanDerWaalsContact C-N 3.29Å; C126-S128 PolarHBondContact O-N 3.49Å; C126-S128 PolarHBondContact SG-N 3.47Å; C126-S128 VanDerWaalsContact SG-N 3.43Å; S128-R195 VanDerWaalsContact OG-CD 3.32Å; S128-R195 WeakPolarHBondContact OG-CD 3.36Å |
| 129 | C | 94.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -3.3 | -178.3 | 62.3 | 0 | 0 | 0 | 0 | 113 | C126 F131 C175 Q176 C177 | C126-C129 VanDerWaalsContact SG-SG 3.68Å; C129-F131 HydrophobicContact CB-CD2 3.97Å; C129-F131 WeakPolarHBondContact O-CD2 3.28Å; C129-F131 WeakPolarHBondContact O-CE2 3.4Å; C129-F131 PolarHBondContact O-N 3.26Å; C129-C175 VanDerWaalsContact SG-SG 3.67Å; C129-Q176 HydrophobicContact CB-CB 4.06Å; C129-C177 HydrophobicContact CB-CB 4.23Å; C129-C177 VanDerWaalsContact SG-SG 3.63Å |
| 130 | D | 93.1 | Very high | 93.5 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | trans | 59.6 | 9.4 | 179.1 | -154.5 | 35.4 | 0 | 0 | 0 | 115.6 | R125 C126 | R125-D130 IonicContact CZ-OD1 3.64Å; R125-D130 IonicContact CZ-OD2 3.99Å; R125-D130 PolarHBondContact NE-O 2.95Å; R125-D130 IonicContact NE-OD1 3.34Å; R125-D130 PolarHBondContact NE-OD1 2.85Å; R125-D130 IonicContact NH1-OD1 2.96Å; R125-D130 PolarHBondContact NH1-OD1 3.48Å; R125-D130 IonicContact NH1-OD2 2.65Å; R125-D130 PolarHBondContact NH2-O 3.27Å; R125-D130 VanDerWaalsContact NH2-O 3.13Å; R125-D130 IonicContact NH2-OD1 3.2Å; R125-D130 PolarHBondContact NH2-OD1 3.32Å; R125-D130 IonicContact NH2-OD2 2.62Å; R125-D130 PolarHBondContact NH2-OD2 3.27Å; C126-D130 WeakPolarHBondContact O-CA 3.44Å; C126-D130 PolarHBondContact O-N 3.49Å | ||
| 131 | F | 93 | Very high | 93.8 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 31% | 0.311 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -82.3 | 147 | 173.4 | -74.8 | -83.8 | 0 | 0 | 0 | 112.1 | C126 C129 V133 Q176 | C126-F131 PolarHBondContact N-O 3.16Å; C129-F131 HydrophobicContact CB-CD2 3.97Å; C129-F131 WeakPolarHBondContact O-CD2 3.28Å; C129-F131 WeakPolarHBondContact O-CE2 3.4Å; C129-F131 PolarHBondContact O-N 3.26Å; F131-V133 PolarHBondContact O-N 2.76Å; F131-Q176 HydrophobicContact CD2-CB 4.03Å; F131-Q176 VanDerWaalsContact CD2-CD 3.44Å; F131-Q176 HydrophobicContact CD2-CG 3.73Å; F131-Q176 HydrophobicContact CE2-CG 3.96Å; F131-Q176 VanDerWaalsContact CE2-NE2 3.3Å; F131-Q176 HydrophobicContact CG-CG 4.18Å |
| 132 | R | 93.8 | Very high | 94.1 | Very high | 140 Ų | 140 | 48 Ų | 48 | 53% | 0.528 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -59.4 | 135.8 | 167.1 | 178 | 177.4 | -89.7 | -148.4 | -3.6 | 109.2 | L134 | R132-L134 PolarHBondContact O-N 3Å |
| 133 | V | 95.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 118.8 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | L124 F131 Y173 A174 C175 W196 | L124-V133 HydrophobicContact CB-CB 3.76Å; L124-V133 HydrophobicContact CB-CG2 3.84Å; L124-V133 PolarHBondContact O-N 2.92Å; F131-V133 PolarHBondContact O-N 2.76Å; V133-Y173 HydrophobicContact CG1-CD1 4.24Å; V133-A174 CarbonylContact C-O 3.48Å; V133-A174 WeakPolarHBondContact CA-O 3.32Å; V133-C175 HydrophobicContact CG2-CB 4.46Å; V133-W196 HydrophobicContact CG1-CD2 4.16Å; V133-W196 HydrophobicContact CG1-CE3 4.03Å; V133-W196 HydrophobicContact CG1-CH2 3.98Å; V133-W196 HydrophobicContact CG1-CZ2 4.08Å; V133-W196 HydrophobicContact CG1-CZ3 3.94Å; V133-W196 HydrophobicContact CG2-CB 4.27Å; V133-W196 HydrophobicContact CG2-CD2 3.65Å; V133-W196 HydrophobicContact CG2-CE3 4.22Å; V133-W196 HydrophobicContact CG2-CG 3.66Å |
| 134 | L | 95.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 145.2 | 173.5 | -58.7 | 178.2 | 0 | 0 | 0 | 109.4 | R132 F136 V154 P155 R157 L160 Y173 A174 | R132-L134 PolarHBondContact O-N 3Å; L134-F136 HydrophobicContact CB-CE2 3.87Å; L134-F136 HydrophobicContact CB-CZ 4.24Å; L134-F136 HydrophobicContact CD1-CZ 4.38Å; L134-V154 HydrophobicContact CD1-CG1 4.34Å; L134-P155 HydrophobicContact CD1-CB 4.46Å; L134-R157 HydrophobicContact CD1-CG 4.15Å; L134-L160 HydrophobicContact CD1-CD1 3.57Å; L134-Y173 CarbonylContact O-C 3.58Å; L134-Y173 VanDerWaalsContact O-CA 3.28Å; L134-Y173 WeakPolarHBondContact O-CA 3.21Å; L134-A174 PolarHBondContact N-O 2.98Å; L134-A174 PolarHBondContact O-N 3.37Å |
| 135 | M | 94.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 16% | 0.163 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.6 | 176 | -55.8 | -179 | -66.3 | 0 | 0 | 109.4 | D122 R157 A172 Y173 | D122-M135 VanDerWaalsContact CA-CE 3.44Å; D122-M135 HydrophobicContact CB-CE 3.55Å; M135-R157 PolarHBondContact O-NH1 3.43Å; M135-A172 CarbonylContact C-O 3.48Å; M135-A172 WeakPolarHBondContact CA-O 3.27Å; M135-Y173 HydrophobicContact CG-CD1 3.69Å; M135-Y173 HydrophobicContact CG-CE1 3.69Å; M135-Y173 HydrophobicContact SD-CD1 4.36Å; M135-Y173 HydrophobicContact SD-CE1 3.79Å |
| 136 | F | 95.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 116.8 | 176.9 | -57 | -91.2 | 0 | 0 | 0 | 109.3 | L134 W141 R157 L160 L164 R171 A172 | L134-F136 HydrophobicContact CB-CE2 3.87Å; L134-F136 HydrophobicContact CB-CZ 4.24Å; L134-F136 HydrophobicContact CD1-CZ 4.38Å; F136-W141 HydrophobicContact CD2-CZ2 4.16Å; F136-W141 HydrophobicContact CE2-CH2 4.1Å; F136-W141 HydrophobicContact CE2-CZ2 4Å; F136-R157 HydrophobicContact CE1-CB 4.08Å; F136-R157 HydrophobicContact CE1-CG 4.07Å; F136-R157 HydrophobicContact CZ-CB 4.37Å; F136-R157 HydrophobicContact CZ-CG 4.11Å; F136-L160 HydrophobicContact CE2-CD1 4.34Å; F136-L160 HydrophobicContact CZ-CB 4.03Å; F136-L160 HydrophobicContact CZ-CD1 3.92Å; F136-L164 HydrophobicContact CB-CD1 3.93Å; F136-L164 HydrophobicContact CD1-CD1 3.48Å; F136-L164 VanDerWaalsContact CD1-CD1 3.48Å; F136-L164 HydrophobicContact CD2-CD1 3.87Å; F136-L164 HydrophobicContact CE1-CD1 3.84Å; F136-L164 HydrophobicContact CE2-CD1 4.21Å; F136-L164 HydrophobicContact CG-CD1 3.48Å; F136-L164 VanDerWaalsContact CG-CD1 3.48Å; F136-L164 HydrophobicContact CZ-CD1 4.19Å; F136-R171 WeakPolarHBondContact O-CA 2.82Å; F136-R171 WeakPolarHBondContact O-CG 3.34Å; F136-A172 HydrophobicContact CB-CB 4.29Å; F136-A172 PolarHBondContact N-O 3.02Å; F136-A172 PolarHBondContact O-N 3.03Å |
| 137 | D | 95.2 | Very high | 94.8 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 148.7 | -179.7 | -64.7 | -23.1 | 0 | 0 | 0 | 111.7 | S139 R171 | D137-S139 PolarHBondContact O-N 2.79Å; D137-S139 VanDerWaalsContact O-N 3.12Å; D137-S139 PolarHBondContact O-OG 3.35Å; D137-R171 IonicContact OD1-CZ 3.78Å; D137-R171 IonicContact OD1-NE 2.71Å; D137-R171 PolarHBondContact OD1-NE 3.4Å; D137-R171 IonicContact OD1-NH2 3.11Å; D137-R171 PolarHBondContact OD1-NH2 2.7Å; D137-R171 IonicContact OD2-NH2 3.04Å |
| 138 | D | 95.5 | Very high | 95 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.2 | 39.2 | 179.8 | -63.3 | -47.8 | 0 | 0 | 0 | 113 | S106 K166 R167 K168 G169 L170 | S106-D138 VanDerWaalsContact CB-OD1 3.32Å; S106-D138 WeakPolarHBondContact CB-OD1 3.48Å; S106-D138 PolarHBondContact OG-OD1 2.85Å; D138-K166 WeakPolarHBondContact O-CA 3.15Å; D138-R167 CarbonylContact C-O 2.98Å; D138-R167 WeakPolarHBondContact CA-O 3.44Å; D138-R167 CarbonylContact O-C 3.33Å; D138-R167 PolarHBondContact O-N 2.83Å; D138-K168 WeakPolarHBondContact OD1-CA 3.46Å; D138-G169 PolarHBondContact OD1-N 2.89Å; D138-L170 WeakPolarHBondContact CA-O 3.43Å; D138-L170 PolarHBondContact N-O 2.92Å |
| 139 | S | 96.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 148.6 | -172.7 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | D137 K165 R167 L170 R171 A172 | D137-S139 PolarHBondContact O-N 2.79Å; D137-S139 VanDerWaalsContact O-N 3.12Å; D137-S139 PolarHBondContact O-OG 3.35Å; S139-K165 CarbonylContact C-O 3.45Å; S139-K165 VanDerWaalsContact CA-O 3.28Å; S139-K165 WeakPolarHBondContact CA-O 3.38Å; S139-R167 PolarHBondContact N-O 3.4Å; S139-L170 PolarHBondContact N-O 3.33Å; S139-L170 CarbonylContact O-C 3.53Å; S139-R171 CarbonylContact O-C 3.52Å; S139-A172 WeakPolarHBondContact O-CB 3.4Å; S139-A172 PolarHBondContact O-N 2.9Å |
| 140 | E | 96.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 53.9 Ų | 53.9 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.6 | 177.8 | -173.8 | -175.7 | -168.8 | 0 | 0 | 108.8 | K165 R167 L170 | E140-K165 PolarHBondContact N-O 2.78Å; E140-K165 PolarHBondContact O-N 3.12Å; E140-R167 HydrophobicContact CB-CB 4.2Å; E140-R167 HydrophobicContact CB-CG 3.98Å; E140-R167 WeakPolarHBondContact OE2-CG 3.25Å; E140-R167 IonicContact OE2-NE 2.65Å; E140-L170 HydrophobicContact CB-CD2 4.08Å; E140-L170 HydrophobicContact CG-CD2 3.89Å |
| 141 | W | 97.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134.1 | 171 | -68.9 | 110 | 0 | 0 | 0 | 111.8 | F136 C145 L160 K163 L164 A172 Y173 A174 W179 S181 | F136-W141 HydrophobicContact CD2-CZ2 4.16Å; F136-W141 HydrophobicContact CE2-CH2 4.1Å; F136-W141 HydrophobicContact CE2-CZ2 4Å; W141-C145 HydrophobicContact CB-CB 4.46Å; W141-C145 HydrophobicContact CE3-CB 4.4Å; W141-C145 VanDerWaalsContact CE3-SG 3.57Å; W141-L160 HydrophobicContact CH2-CB 4.16Å; W141-L160 HydrophobicContact CH2-CD2 4.11Å; W141-L160 HydrophobicContact CZ3-CD2 4.46Å; W141-K163 HydrophobicContact CE3-CB 4.49Å; W141-K163 HydrophobicContact CZ3-CB 4.47Å; W141-L164 HydrophobicContact CD2-CD2 3.8Å; W141-L164 HydrophobicContact CE3-CD2 3.65Å; W141-L164 HydrophobicContact CE3-CG 4.15Å; W141-L164 HydrophobicContact CG-CD2 4.46Å; W141-L164 HydrophobicContact CH2-CD1 4.44Å; W141-L164 HydrophobicContact CH2-CD2 3.91Å; W141-L164 HydrophobicContact CH2-CG 4.14Å; W141-L164 HydrophobicContact CZ2-CD2 4.02Å; W141-L164 HydrophobicContact CZ3-CD2 3.73Å; W141-L164 HydrophobicContact CZ3-CG 3.85Å; W141-A172 HydrophobicContact CD2-CB 4.43Å; W141-A172 HydrophobicContact CG-CB 4.32Å; W141-A172 HydrophobicContact CZ2-CB 4.46Å; W141-Y173 PolarHBondContact NE1-O 2.89Å; W141-A174 HydrophobicContact CH2-CB 4.03Å; W141-A174 HydrophobicContact CZ2-CB 3.26Å; W141-W179 AromaticContact CD1-CD1 3.8Å; W141-W179 HydrophobicContact CD2-CB 4.38Å; W141-W179 HydrophobicContact CG-CB 4.28Å; W141-W179 AromaticContact CG-CD1 3.75Å; W141-W179 HydrophobicContact CG-CG 4.35Å; W141-S181 PolarHBondContact N-OG 3.11Å; W141-S181 VanDerWaalsContact N-OG 3.13Å |
| 142 | D | 96.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | trans | -63.4 | 143.1 | 171.2 | -170.4 | -89.6 | 0 | 0 | 0 | 111 | S144 C145 K163 K165 | D142-S144 PolarHBondContact O-N 3.13Å; D142-S144 VanDerWaalsContact O-N 3.13Å; D142-S144 WeakPolarHBondContact OD1-CA 3.41Å; D142-S144 WeakPolarHBondContact OD1-CB 3.21Å; D142-S144 PolarHBondContact OD1-N 3.47Å; D142-S144 PolarHBondContact OD1-OG 3.31Å; D142-C145 WeakPolarHBondContact O-CB 3.4Å; D142-C145 PolarHBondContact O-N 3.3Å; D142-K163 WeakPolarHBondContact CB-O 3.43Å; D142-K163 PolarHBondContact N-O 2.93Å; D142-K165 HydrophobicContact CB-CD 4.42Å; D142-K165 WeakPolarHBondContact OD2-CD 3.4Å; D142-K165 WeakPolarHBondContact OD2-CE 3.41Å; D142-K165 IonicContact OD2-NZ 3.33Å; D142-K165 PolarHBondContact OD2-NZ 2.9Å | ||
| 143 | P | 94.1 | Very high | 95.5 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 76% | 0.76 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.3 | 175.9 | -25.6 | 35.4 | 0 | 0 | 0 | 114.6 | C145 | P143-C145 PolarHBondContact O-N 3.44Š|
| 144 | S | 94.3 | Very high | 95.5 | Very high | 61 Ų | 61 | 53 Ų | 53 | 43% | 0.427 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 6.6 | 173.1 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | D142 K163 | D142-S144 PolarHBondContact O-N 3.13Å; D142-S144 VanDerWaalsContact O-N 3.13Å; D142-S144 WeakPolarHBondContact OD1-CA 3.41Å; D142-S144 WeakPolarHBondContact OD1-CB 3.21Å; D142-S144 PolarHBondContact OD1-N 3.47Å; D142-S144 PolarHBondContact OD1-OG 3.31Å; S144-K163 PolarHBondContact O-NZ 3.49Å; S144-K163 PolarHBondContact OG-NZ 2.96Å |
| 145 | C | 95 | Very high | 95.5 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.054 | 30% | 0.295 | C | S | . | . | trans | -72.9 | 126.5 | 172.7 | -163.8 | 0 | 0 | 0 | 0 | 109.1 | W141 D142 P143 L150 K163 W179 | W141-C145 HydrophobicContact CB-CB 4.46Å; W141-C145 HydrophobicContact CE3-CB 4.4Å; W141-C145 VanDerWaalsContact CE3-SG 3.57Å; D142-C145 WeakPolarHBondContact O-CB 3.4Å; D142-C145 PolarHBondContact O-N 3.3Å; P143-C145 PolarHBondContact O-N 3.44Å; C145-L150 WeakPolarHBondContact SG-CD1 3.28Å; C145-K163 HydrophobicContact CB-CB 4.47Å; C145-W179 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 146 | D | 94.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | trans | -125.8 | 167.1 | -176.2 | 68 | 15 | 0 | 0 | 0 | 111.9 | L148 F149 L150 | D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 2.89Å; D146-L148 PolarHBondContact OD1-N 2.9Å; D146-F149 PolarHBondContact O-N 3.41Å; D146-F149 WeakPolarHBondContact OD1-CB 3.27Å; D146-F149 PolarHBondContact OD1-N 2.65Å; D146-L150 WeakPolarHBondContact O-CD1 3.33Å; D146-L150 PolarHBondContact O-N 2.96Å | ||
| 147 | Y | 94.1 | Very high | 95.5 | Very high | 101 Ų | 101 | 62.2 Ų | 62.2 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -39.4 | -178.9 | 169.5 | -102.6 | 0 | 0 | 0 | 113 | L150 R151 C177 | Y147-L150 PolarHBondContact O-N 2.93Å; Y147-R151 WeakPolarHBondContact O-CB 3.09Å; Y147-R151 PolarHBondContact O-N 3.13Å; Y147-R151 PolarHBondContact OH-NH1 3.01Å; Y147-C177 HydrophobicContact CE2-CB 4.21Å |
| 148 | L | 96.1 | Very high | 95.5 | Very high | 106 Ų | 106 | 65.1 Ų | 65.1 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.4 | -39.6 | -178 | -69.9 | 175.5 | 0 | 0 | 0 | 111.7 | D146 R151 N152 | D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 2.89Å; D146-L148 PolarHBondContact OD1-N 2.9Å; L148-R151 PolarHBondContact O-N 3.46Å; L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 VanDerWaalsContact O-CG 3.24Å; L148-N152 PolarHBondContact O-N 3.23Å; L148-N152 VanDerWaalsContact O-N 3.07Å; L148-N152 PolarHBondContact O-ND2 3.21Å |
| 149 | F | 96.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 67 Ų | 67 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 175.7 | 177.7 | -98.7 | 0 | 0 | 0 | 111.1 | D146 N152 N153 K159 L160 K163 | D146-F149 PolarHBondContact O-N 3.41Å; D146-F149 WeakPolarHBondContact OD1-CB 3.27Å; D146-F149 PolarHBondContact OD1-N 2.65Å; F149-N152 PolarHBondContact O-N 3.18Å; F149-N153 VanDerWaalsContact CD2-ND2 3.34Å; F149-N153 WeakPolarHBondContact CD2-ND2 3.22Å; F149-N153 VanDerWaalsContact O-CB 3.27Å; F149-N153 WeakPolarHBondContact O-CB 3.37Å; F149-N153 PolarHBondContact O-N 3.26Å; F149-N153 PolarHBondContact O-ND2 3.38Å; F149-K159 WeakPolarHBondContact CZ-O 3.46Å; F149-L160 HydrophobicContact CD1-CD2 4.3Å; F149-L160 HydrophobicContact CE1-CD2 3.69Å; F149-L160 HydrophobicContact CZ-CD2 4.39Å; F149-K163 HydrophobicContact CD1-CB 4.17Å; F149-K163 HydrophobicContact CD1-CG 3.85Å; F149-K163 HydrophobicContact CD2-CG 4.04Å; F149-K163 HydrophobicContact CE1-CB 3.58Å; F149-K163 HydrophobicContact CE1-CG 3.5Å; F149-K163 HydrophobicContact CE2-CG 3.71Å; F149-K163 HydrophobicContact CG-CG 4.1Å; F149-K163 HydrophobicContact CZ-CB 3.82Å; F149-K163 HydrophobicContact CZ-CG 3.42Å; F149-K163 VanDerWaalsContact CZ-CG 3.42Å |
| 150 | L | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 179 | -76.8 | 100.3 | 0 | 0 | 0 | 112.8 | C145 D146 Y147 N152 N153 V154 A174 C175 W179 | C145-L150 WeakPolarHBondContact SG-CD1 3.28Å; D146-L150 WeakPolarHBondContact O-CD1 3.33Å; D146-L150 PolarHBondContact O-N 2.96Å; Y147-L150 PolarHBondContact O-N 2.93Å; L150-N152 VanDerWaalsContact C-N 3.25Å; L150-N152 PolarHBondContact O-N 2.91Å; L150-N153 PolarHBondContact O-N 3.05Å; L150-V154 HydrophobicContact CB-CG2 4.27Å; L150-V154 HydrophobicContact CD2-CG2 4.39Å; L150-V154 WeakPolarHBondContact O-CB 3.45Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 3.08Å; L150-A174 HydrophobicContact CD2-CB 3.54Å; L150-C175 VanDerWaalsContact CD2-O 3.25Å; L150-C175 WeakPolarHBondContact CD2-O 3.41Å; L150-W179 HydrophobicContact CD1-CB 4.38Å; L150-W179 HydrophobicContact CD1-CD2 3.83Å; L150-W179 HydrophobicContact CD1-CE3 3.54Å; L150-W179 HydrophobicContact CD1-CG 4.22Å; L150-W179 HydrophobicContact CD1-CZ3 4.11Å; L150-W179 HydrophobicContact CD2-CB 3.68Å; L150-W179 HydrophobicContact CD2-CE3 4.21Å; L150-W179 HydrophobicContact CD2-CG 4.36Å; L150-W179 HydrophobicContact CG-CE3 4.44Å |
| 151 | R | 95.8 | Very high | 95.4 | Very high | 131 Ų | 131 | 69 Ų | 69 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 178.6 | -175.7 | 177.7 | -179.5 | 89.6 | 2.7 | 112 | Y147 L148 Q176 | Y147-R151 WeakPolarHBondContact O-CB 3.09Å; Y147-R151 PolarHBondContact O-N 3.13Å; Y147-R151 PolarHBondContact OH-NH1 3.01Å; L148-R151 PolarHBondContact O-N 3.46Å; R151-Q176 PolarHBondContact N-O 3.12Å |
| 152 | N | 96.3 | Very high | 95.4 | Very high | 119 Ų | 119 | 72.6 Ų | 72.6 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -85.3 | -25.3 | -176.1 | -65.5 | -16.4 | 0 | 0 | 0 | 113.3 | L148 F149 L150 | L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 VanDerWaalsContact O-CG 3.24Å; L148-N152 PolarHBondContact O-N 3.23Å; L148-N152 VanDerWaalsContact O-N 3.07Å; L148-N152 PolarHBondContact O-ND2 3.21Å; F149-N152 PolarHBondContact O-N 3.18Å; L150-N152 VanDerWaalsContact C-N 3.25Å; L150-N152 PolarHBondContact O-N 2.91Å |
| 153 | N | 96.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 73.9 Ų | 73.9 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -111.3 | -18.2 | -170.4 | -64.3 | -75.4 | 0 | 0 | 0 | 114.5 | F149 L150 D156 K159 L160 | F149-N153 VanDerWaalsContact CD2-ND2 3.34Å; F149-N153 WeakPolarHBondContact CD2-ND2 3.22Å; F149-N153 VanDerWaalsContact O-CB 3.27Å; F149-N153 WeakPolarHBondContact O-CB 3.37Å; F149-N153 PolarHBondContact O-N 3.26Å; F149-N153 PolarHBondContact O-ND2 3.38Å; L150-N153 PolarHBondContact O-N 3.05Å; N153-D156 WeakPolarHBondContact O-CA 3.34Å; N153-D156 VanDerWaalsContact O-CB 3.22Å; N153-D156 WeakPolarHBondContact O-CB 3.05Å; N153-D156 PolarHBondContact O-N 3.1Å; N153-K159 HydrophobicContact CB-CB 3.97Å; N153-K159 WeakPolarHBondContact OD1-CB 3.36Å; N153-K159 VanDerWaalsContact OD1-CD 3.22Å; N153-K159 WeakPolarHBondContact OD1-CD 3.37Å; N153-L160 HydrophobicContact CB-CD2 3.97Å; N153-L160 HydrophobicContact CB-CG 4.38Å |
| 154 | V | 94.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 69.6 Ų | 69.6 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 130.2 | 172.7 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | L134 L150 L160 Q176 | L134-V154 HydrophobicContact CD1-CG1 4.34Å; L150-V154 HydrophobicContact CB-CG2 4.27Å; L150-V154 HydrophobicContact CD2-CG2 4.39Å; L150-V154 WeakPolarHBondContact O-CB 3.45Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 3.08Å; V154-L160 HydrophobicContact CG2-CD1 3.84Å; V154-L160 HydrophobicContact CG2-CD2 3.94Å; V154-L160 HydrophobicContact CG2-CG 4.47Å; V154-Q176 HydrophobicContact CB-CB 4.46Å; V154-Q176 HydrophobicContact CB-CG 3.61Å; V154-Q176 HydrophobicContact CG1-CG 3.76Å; V154-Q176 PolarHBondContact O-NE2 2.87Å |
| 155 | P | 94.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 71 Ų | 71 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -100.1 | 14 | 17.4 | 38.5 | -36.8 | 0 | 0 | 0 | 116.7 | L134 R157 | L134-P155 HydrophobicContact CD1-CB 4.46Å; P155-R157 PolarHBondContact O-N 3.42Å |
| 156 | D | 95.9 | Very high | 95.6 | Very high | 60 Ų | 60 | 78.8 Ų | 78.8 | 32% | 0.321 | 38% | 0.382 | S | S | . | . | trans | -68.7 | 99.9 | -178.5 | -172.5 | -24.8 | 0 | 0 | 0 | 111.9 | N153 H158 K159 L160 | N153-D156 WeakPolarHBondContact O-CA 3.34Å; N153-D156 VanDerWaalsContact O-CB 3.22Å; N153-D156 WeakPolarHBondContact O-CB 3.05Å; N153-D156 PolarHBondContact O-N 3.1Å; D156-H158 VanDerWaalsContact C-N 3.26Å; D156-H158 PolarHBondContact O-N 3.32Å; D156-H158 WeakPolarHBondContact OD1-CB 3.37Å; D156-H158 PolarHBondContact OD1-N 3.07Å; D156-K159 HydrophobicContact CB-CB 4.26Å; D156-K159 HydrophobicContact CB-CD 4.11Å; D156-K159 HydrophobicContact CB-CG 4.29Å; D156-K159 PolarHBondContact O-N 3.42Å; D156-K159 PolarHBondContact OD1-N 3.38Å; D156-K159 VanDerWaalsContact OD1-N 3.15Å; D156-K159 WeakPolarHBondContact OD2-CD 2.94Å; D156-K159 WeakPolarHBondContact OD2-CE 3.26Å; D156-K159 WeakPolarHBondContact OD2-CG 3.37Å; D156-K159 IonicContact OD2-NZ 3.89Å; D156-L160 VanDerWaalsContact O-CG 3.23Å; D156-L160 WeakPolarHBondContact O-CG 3.04Å; D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.16Å | ||
| 157 | R | 94.8 | Very high | 95.6 | Very high | 112 Ų | 112 | 81.7 Ų | 81.7 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.9 | -32.6 | 179.8 | -70.6 | 178.3 | 174.3 | -92.3 | 5.6 | 113.1 | L134 M135 F136 P155 Q161 | L134-R157 HydrophobicContact CD1-CG 4.15Å; M135-R157 PolarHBondContact O-NH1 3.43Å; F136-R157 HydrophobicContact CE1-CB 4.08Å; F136-R157 HydrophobicContact CE1-CG 4.07Å; F136-R157 HydrophobicContact CZ-CB 4.37Å; F136-R157 HydrophobicContact CZ-CG 4.11Å; P155-R157 PolarHBondContact O-N 3.42Å; R157-Q161 WeakPolarHBondContact O-CG 3.4Å; R157-Q161 PolarHBondContact O-N 3.3Å |
| 158 | H | 95.4 | Very high | 95.6 | Very high | 145 Ų | 145 | 86.2 Ų | 86.2 | 67% | 0.671 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.5 | -45.7 | -177.2 | -177.7 | -91.3 | 0 | 0 | 0 | 110.2 | D156 L160 Q161 | D156-H158 VanDerWaalsContact C-N 3.26Å; D156-H158 PolarHBondContact O-N 3.32Å; D156-H158 WeakPolarHBondContact OD1-CB 3.37Å; D156-H158 PolarHBondContact OD1-N 3.07Å; H158-L160 VanDerWaalsContact C-N 3.31Å; H158-L160 PolarHBondContact O-N 3.43Å; H158-Q161 WeakPolarHBondContact O-CB 3.45Å; H158-Q161 PolarHBondContact O-N 3.33Å |
| 159 | K | 96.1 | Very high | 95.4 | Very high | 108 Ų | 108 | 82.1 Ų | 82.1 | 47% | 0.47 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 175.6 | -68 | 178.4 | -171.9 | 170.6 | 0 | 112.3 | F149 N153 D156 Q161 A162 | F149-K159 WeakPolarHBondContact CZ-O 3.46Å; N153-K159 HydrophobicContact CB-CB 3.97Å; N153-K159 WeakPolarHBondContact OD1-CB 3.36Å; N153-K159 VanDerWaalsContact OD1-CD 3.22Å; N153-K159 WeakPolarHBondContact OD1-CD 3.37Å; D156-K159 HydrophobicContact CB-CB 4.26Å; D156-K159 HydrophobicContact CB-CD 4.11Å; D156-K159 HydrophobicContact CB-CG 4.29Å; D156-K159 PolarHBondContact O-N 3.42Å; D156-K159 PolarHBondContact OD1-N 3.38Å; D156-K159 VanDerWaalsContact OD1-N 3.15Å; D156-K159 WeakPolarHBondContact OD2-CD 2.94Å; D156-K159 WeakPolarHBondContact OD2-CE 3.26Å; D156-K159 WeakPolarHBondContact OD2-CG 3.37Å; D156-K159 IonicContact OD2-NZ 3.89Å; K159-Q161 VanDerWaalsContact C-N 3.25Å; K159-Q161 PolarHBondContact O-N 3.49Å; K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 2.64Å |
| 160 | L | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -26.6 | 178.4 | -68.9 | 170.1 | 0 | 0 | 0 | 113.7 | L134 F136 W141 F149 N153 V154 D156 H158 A162 K163 | L134-L160 HydrophobicContact CD1-CD1 3.57Å; F136-L160 HydrophobicContact CE2-CD1 4.34Å; F136-L160 HydrophobicContact CZ-CB 4.03Å; F136-L160 HydrophobicContact CZ-CD1 3.92Å; W141-L160 HydrophobicContact CH2-CB 4.16Å; W141-L160 HydrophobicContact CH2-CD2 4.11Å; W141-L160 HydrophobicContact CZ3-CD2 4.46Å; F149-L160 HydrophobicContact CD1-CD2 4.3Å; F149-L160 HydrophobicContact CE1-CD2 3.69Å; F149-L160 HydrophobicContact CZ-CD2 4.39Å; N153-L160 HydrophobicContact CB-CD2 3.97Å; N153-L160 HydrophobicContact CB-CG 4.38Å; V154-L160 HydrophobicContact CG2-CD1 3.84Å; V154-L160 HydrophobicContact CG2-CD2 3.94Å; V154-L160 HydrophobicContact CG2-CG 4.47Å; D156-L160 VanDerWaalsContact O-CG 3.23Å; D156-L160 WeakPolarHBondContact O-CG 3.04Å; D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.16Å; H158-L160 VanDerWaalsContact C-N 3.31Å; H158-L160 PolarHBondContact O-N 3.43Å; L160-A162 PolarHBondContact O-N 2.99Å; L160-K163 PolarHBondContact O-N 2.81Å; L160-K163 VanDerWaalsContact O-N 3.17Å |
| 161 | Q | 95 | Very high | 95.4 | Very high | 112 Ų | 112 | 82.6 Ų | 82.6 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -61.4 | -24.3 | 176.8 | -73.7 | 173.2 | 17.3 | 0 | 0 | 113.3 | R157 H158 K159 K163 L164 | R157-Q161 WeakPolarHBondContact O-CG 3.4Å; R157-Q161 PolarHBondContact O-N 3.3Å; H158-Q161 WeakPolarHBondContact O-CB 3.45Å; H158-Q161 PolarHBondContact O-N 3.33Å; K159-Q161 VanDerWaalsContact C-N 3.25Å; K159-Q161 PolarHBondContact O-N 3.49Å; Q161-K163 PolarHBondContact O-N 3.13Å; Q161-K163 VanDerWaalsContact O-N 3.14Å; Q161-L164 HydrophobicContact CG-CD1 4.43Å; Q161-L164 PolarHBondContact O-N 3.33Å; Q161-L164 VanDerWaalsContact O-N 3.15Å |
| 162 | A | 95.8 | Very high | 95.4 | Very high | 86 Ų | 86 | 76.3 Ų | 76.3 | 71% | 0.711 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -60 | -24.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K159 L160 | K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 2.64Å; L160-A162 PolarHBondContact O-N 2.99Å |
| 163 | K | 95.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -114 | 16.1 | 180 | -67.8 | -75.8 | -176 | 155.5 | 0 | 113 | W141 D142 S144 C145 F149 L160 Q161 | W141-K163 HydrophobicContact CE3-CB 4.49Å; W141-K163 HydrophobicContact CZ3-CB 4.47Å; D142-K163 WeakPolarHBondContact CB-O 3.43Å; D142-K163 PolarHBondContact N-O 2.93Å; S144-K163 PolarHBondContact O-NZ 3.49Å; S144-K163 PolarHBondContact OG-NZ 2.96Å; C145-K163 HydrophobicContact CB-CB 4.47Å; F149-K163 HydrophobicContact CD1-CB 4.17Å; F149-K163 HydrophobicContact CD1-CG 3.85Å; F149-K163 HydrophobicContact CD2-CG 4.04Å; F149-K163 HydrophobicContact CE1-CB 3.58Å; F149-K163 HydrophobicContact CE1-CG 3.5Å; F149-K163 HydrophobicContact CE2-CG 3.71Å; F149-K163 HydrophobicContact CG-CG 4.1Å; F149-K163 HydrophobicContact CZ-CB 3.82Å; F149-K163 HydrophobicContact CZ-CG 3.42Å; F149-K163 VanDerWaalsContact CZ-CG 3.42Å; L160-K163 PolarHBondContact O-N 2.81Å; L160-K163 VanDerWaalsContact O-N 3.17Å; Q161-K163 PolarHBondContact O-N 3.13Å; Q161-K163 VanDerWaalsContact O-N 3.14Å |
| 164 | L | 96.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 69.2 Ų | 69.2 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.9 | 175.6 | -74 | 171.2 | 0 | 0 | 0 | 111 | F136 W141 Q161 A172 | F136-L164 HydrophobicContact CB-CD1 3.93Å; F136-L164 HydrophobicContact CD1-CD1 3.48Å; F136-L164 VanDerWaalsContact CD1-CD1 3.48Å; F136-L164 HydrophobicContact CD2-CD1 3.87Å; F136-L164 HydrophobicContact CE1-CD1 3.84Å; F136-L164 HydrophobicContact CE2-CD1 4.21Å; F136-L164 HydrophobicContact CG-CD1 3.48Å; F136-L164 VanDerWaalsContact CG-CD1 3.48Å; F136-L164 HydrophobicContact CZ-CD1 4.19Å; W141-L164 HydrophobicContact CD2-CD2 3.8Å; W141-L164 HydrophobicContact CE3-CD2 3.65Å; W141-L164 HydrophobicContact CE3-CG 4.15Å; W141-L164 HydrophobicContact CG-CD2 4.46Å; W141-L164 HydrophobicContact CH2-CD1 4.44Å; W141-L164 HydrophobicContact CH2-CD2 3.91Å; W141-L164 HydrophobicContact CH2-CG 4.14Å; W141-L164 HydrophobicContact CZ2-CD2 4.02Å; W141-L164 HydrophobicContact CZ3-CD2 3.73Å; W141-L164 HydrophobicContact CZ3-CG 3.85Å; Q161-L164 HydrophobicContact CG-CD1 4.43Å; Q161-L164 PolarHBondContact O-N 3.33Å; Q161-L164 VanDerWaalsContact O-N 3.15Å; L164-A172 HydrophobicContact CD2-CB 3.56Å |
| 165 | K | 96.3 | Very high | 95.5 | Very high | 91 Ų | 91 | 69 Ų | 69 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.3 | 171.7 | -79.4 | 172.9 | 158.7 | 155.1 | 0 | 110 | S139 E140 D142 R167 | S139-K165 CarbonylContact C-O 3.45Å; S139-K165 VanDerWaalsContact CA-O 3.28Å; S139-K165 WeakPolarHBondContact CA-O 3.38Å; E140-K165 PolarHBondContact N-O 2.78Å; E140-K165 PolarHBondContact O-N 3.12Å; D142-K165 HydrophobicContact CB-CD 4.42Å; D142-K165 WeakPolarHBondContact OD2-CD 3.4Å; D142-K165 WeakPolarHBondContact OD2-CE 3.41Å; D142-K165 IonicContact OD2-NZ 3.33Å; D142-K165 PolarHBondContact OD2-NZ 2.9Å; K165-R167 PolarHBondContact O-N 3.42Å |
| 166 | K | 95.8 | Very high | 95.6 | Very high | 171 Ų | 171 | 67 Ų | 67 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119.7 | 175.6 | -67.2 | -63.3 | -175.7 | -176.1 | 0 | 110.7 | D138 | D138-K166 WeakPolarHBondContact O-CA 3.15Å |
| 167 | R | 95.3 | Very high | 95.5 | Very high | 140 Ų | 140 | 65.8 Ų | 65.8 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 108.3 | -179.5 | -71.8 | -61.7 | -166.1 | -159.1 | 2 | 110.1 | D138 S139 E140 K165 L170 | D138-R167 CarbonylContact C-O 2.98Å; D138-R167 WeakPolarHBondContact CA-O 3.44Å; D138-R167 CarbonylContact O-C 3.33Å; D138-R167 PolarHBondContact O-N 2.83Å; S139-R167 PolarHBondContact N-O 3.4Å; E140-R167 HydrophobicContact CB-CB 4.2Å; E140-R167 HydrophobicContact CB-CG 3.98Å; E140-R167 WeakPolarHBondContact OE2-CG 3.25Å; E140-R167 IonicContact OE2-NE 2.65Å; K165-R167 PolarHBondContact O-N 3.42Å; R167-L170 HydrophobicContact CB-CB 4.21Å; R167-L170 HydrophobicContact CB-CD1 4.21Å; R167-L170 PolarHBondContact O-N 2.99Å |
| 168 | K | 94.4 | Very high | 95.5 | Very high | 197 Ų | 197 | 62.2 Ų | 62.2 | 86% | 0.857 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 137.9 | 179.3 | -64.6 | -174.5 | 179.2 | -178 | 0 | 110.9 | D138 L170 | D138-K168 WeakPolarHBondContact OD1-CA 3.46Å; K168-L170 PolarHBondContact O-N 3.38Å |
| 169 | G | 92.7 | Very high | 95.5 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.7 | -11.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G105 S106 D138 | G105-G169 WeakPolarHBondContact CA-O 2.99Å; S106-G169 PolarHBondContact N-O 3.35Å; S106-G169 WeakPolarHBondContact OG-CA 3.39Å; S106-G169 PolarHBondContact OG-N 2.85Å; S106-G169 VanDerWaalsContact OG-N 3.08Å; D138-G169 PolarHBondContact OD1-N 2.89Å |
| 170 | L | 95 | Very high | 95.5 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 20% | 0.204 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 152.6 | 174 | -81.7 | 85.7 | 0 | 0 | 0 | 111.2 | S106 D138 S139 E140 R167 K168 | S106-L170 PolarHBondContact OG-O 2.98Å; D138-L170 WeakPolarHBondContact CA-O 3.43Å; D138-L170 PolarHBondContact N-O 2.92Å; S139-L170 PolarHBondContact N-O 3.33Å; S139-L170 CarbonylContact O-C 3.53Å; E140-L170 HydrophobicContact CB-CD2 4.08Å; E140-L170 HydrophobicContact CG-CD2 3.89Å; R167-L170 HydrophobicContact CB-CB 4.21Å; R167-L170 HydrophobicContact CB-CD1 4.21Å; R167-L170 PolarHBondContact O-N 2.99Å; K168-L170 PolarHBondContact O-N 3.38Å |
| 171 | R | 95.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.1 | 171.1 | -178.9 | 172.8 | -74.6 | 144 | -2.4 | 109.8 | G104 G105 V108 N110 F136 D137 S139 Y173 S181 S182 | G104-R171 WeakPolarHBondContact O-CB 3.25Å; G104-R171 WeakPolarHBondContact O-CD 3.4Å; G105-R171 PolarHBondContact O-NH1 3.02Å; V108-R171 PolarHBondContact O-NH1 3.46Å; V108-R171 VanDerWaalsContact O-NH1 3.13Å; N110-R171 PolarHBondContact ND2-NH1 2.77Å; N110-R171 PolarHBondContact ND2-NH2 3.45Å; N110-R171 PolarHBondContact OD1-NH1 2.77Å; N110-R171 PolarHBondContact OD1-NH2 3.4Å; F136-R171 WeakPolarHBondContact O-CA 2.82Å; F136-R171 WeakPolarHBondContact O-CG 3.34Å; D137-R171 IonicContact OD1-CZ 3.78Å; D137-R171 IonicContact OD1-NE 2.71Å; D137-R171 PolarHBondContact OD1-NE 3.4Å; D137-R171 IonicContact OD1-NH2 3.11Å; D137-R171 PolarHBondContact OD1-NH2 2.7Å; D137-R171 IonicContact OD2-NH2 3.04Å; S139-R171 CarbonylContact O-C 3.52Å; R171-Y173 HydrophobicContact CB-CE2 3.88Å; R171-Y173 WeakPolarHBondContact CD-OH 3.37Å; R171-Y173 HydrophobicContact CG-CD2 4.16Å; R171-Y173 HydrophobicContact CG-CE1 4.37Å; R171-Y173 HydrophobicContact CG-CE2 3.59Å; R171-Y173 WeakPolarHBondContact O-CD2 3.26Å; R171-S181 WeakPolarHBondContact O-CA 3.42Å; R171-S182 PolarHBondContact N-O 2.77Å; R171-S182 PolarHBondContact O-N 3.33Å |
| 172 | A | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | M135 F136 S139 W141 L164 | M135-A172 CarbonylContact C-O 3.48Å; M135-A172 WeakPolarHBondContact CA-O 3.27Å; F136-A172 HydrophobicContact CB-CB 4.29Å; F136-A172 PolarHBondContact N-O 3.02Å; F136-A172 PolarHBondContact O-N 3.03Å; S139-A172 WeakPolarHBondContact O-CB 3.4Å; S139-A172 PolarHBondContact O-N 2.9Å; W141-A172 HydrophobicContact CD2-CB 4.43Å; W141-A172 HydrophobicContact CG-CB 4.32Å; W141-A172 HydrophobicContact CZ2-CB 4.46Å; L164-A172 HydrophobicContact CD2-CB 3.56Å |
| 173 | Y | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.8 | 179 | -63.5 | -96.2 | 0 | 0 | 0 | 109.3 | I103 G104 V133 L134 M135 W141 R171 W179 F180 W196 | I103-Y173 HydrophobicContact CB-CE2 4.45Å; I103-Y173 HydrophobicContact CG2-CE1 4.34Å; G104-Y173 PolarHBondContact N-OH 3.26Å; G104-Y173 WeakPolarHBondContact O-CE2 3.3Å; G104-Y173 PolarHBondContact O-OH 3.22Å; V133-Y173 HydrophobicContact CG1-CD1 4.24Å; L134-Y173 CarbonylContact O-C 3.58Å; L134-Y173 VanDerWaalsContact O-CA 3.28Å; L134-Y173 WeakPolarHBondContact O-CA 3.21Å; M135-Y173 HydrophobicContact CG-CD1 3.69Å; M135-Y173 HydrophobicContact CG-CE1 3.69Å; M135-Y173 HydrophobicContact SD-CD1 4.36Å; M135-Y173 HydrophobicContact SD-CE1 3.79Å; W141-Y173 PolarHBondContact NE1-O 2.89Å; R171-Y173 HydrophobicContact CB-CE2 3.88Å; R171-Y173 WeakPolarHBondContact CD-OH 3.37Å; R171-Y173 HydrophobicContact CG-CD2 4.16Å; R171-Y173 HydrophobicContact CG-CE1 4.37Å; R171-Y173 HydrophobicContact CG-CE2 3.59Å; R171-Y173 WeakPolarHBondContact O-CD2 3.26Å; Y173-W179 CarbonylContact O-C 3.56Å; Y173-W179 WeakPolarHBondContact O-CA 3.41Å; Y173-F180 HydrophobicContact CD2-CD1 4.49Å; Y173-F180 PolarHBondContact N-O 3.41Å; Y173-F180 PolarHBondContact O-N 3.25Å; Y173-W196 HydrophobicContact CD1-CZ3 4.29Å; Y173-W196 HydrophobicContact CG-CH2 4.37Å; Y173-W196 HydrophobicContact CG-CZ3 4.07Å |
| 174 | A | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 148.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | V133 L134 W141 L150 N178 W179 | V133-A174 CarbonylContact C-O 3.48Å; V133-A174 WeakPolarHBondContact CA-O 3.32Å; L134-A174 PolarHBondContact N-O 2.98Å; L134-A174 PolarHBondContact O-N 3.37Å; W141-A174 HydrophobicContact CH2-CB 4.03Å; W141-A174 HydrophobicContact CZ2-CB 3.26Å; L150-A174 HydrophobicContact CD2-CB 3.54Å; A174-N178 WeakPolarHBondContact CA-O 3.44Å; A174-W179 HydrophobicContact CB-CB 4.27Å |
| 175 | C | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | -177.2 | 158.8 | 65.8 | 0 | 0 | 0 | 0 | 108.9 | C126 C129 V133 L150 C177 N178 | C126-C175 HydrophobicContact CB-CB 3.79Å; C129-C175 VanDerWaalsContact SG-SG 3.67Å; V133-C175 HydrophobicContact CG2-CB 4.46Å; L150-C175 VanDerWaalsContact CD2-O 3.25Å; L150-C175 WeakPolarHBondContact CD2-O 3.41Å; C175-C177 PolarHBondContact O-N 3.31Å; C175-C177 VanDerWaalsContact O-N 3.12Å; C175-C177 VanDerWaalsContact SG-SG 3.6Å; C175-N178 PolarHBondContact N-O 2.94Å; C175-N178 PolarHBondContact SG-N 3.49Å |
| 176 | Q | 95.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.2 | -178.4 | -87 | -169.3 | 1.1 | 0 | 0 | 114.3 | C129 F131 R151 V154 | C129-Q176 HydrophobicContact CB-CB 4.06Å; F131-Q176 HydrophobicContact CD2-CB 4.03Å; F131-Q176 VanDerWaalsContact CD2-CD 3.44Å; F131-Q176 HydrophobicContact CD2-CG 3.73Å; F131-Q176 HydrophobicContact CE2-CG 3.96Å; F131-Q176 VanDerWaalsContact CE2-NE2 3.3Å; F131-Q176 HydrophobicContact CG-CG 4.18Å; R151-Q176 PolarHBondContact N-O 3.12Å; V154-Q176 HydrophobicContact CB-CB 4.46Å; V154-Q176 HydrophobicContact CB-CG 3.61Å; V154-Q176 HydrophobicContact CG1-CG 3.76Å; V154-Q176 PolarHBondContact O-NE2 2.87Å |
| 177 | C | 94.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -6.7 | -171.6 | 70.6 | 0 | 0 | 0 | 0 | 114.9 | C129 Y147 C175 | C129-C177 HydrophobicContact CB-CB 4.23Å; C129-C177 VanDerWaalsContact SG-SG 3.63Å; Y147-C177 HydrophobicContact CE2-CB 4.21Å; C175-C177 PolarHBondContact O-N 3.31Å; C175-C177 VanDerWaalsContact O-N 3.12Å; C175-C177 VanDerWaalsContact SG-SG 3.6Å |
| 178 | N | 94.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 150.5 | -177.4 | -153.5 | -10.2 | 0 | 0 | 0 | 111.4 | A174 C175 Q193 | A174-N178 WeakPolarHBondContact CA-O 3.44Å; C175-N178 PolarHBondContact N-O 2.94Å; C175-N178 PolarHBondContact SG-N 3.49Å; N178-Q193 PolarHBondContact ND2-O 2.97Å |
| 179 | W | 95.4 | Very high | 93.9 | Very high | 83 Ų | 83 | 40.6 Ų | 40.6 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.7 | 178.2 | 66.2 | 100.5 | 0 | 0 | 0 | 111 | W141 C145 L150 Y173 A174 | W141-W179 AromaticContact CD1-CD1 3.8Å; W141-W179 HydrophobicContact CD2-CB 4.38Å; W141-W179 HydrophobicContact CG-CB 4.28Å; W141-W179 AromaticContact CG-CD1 3.75Å; W141-W179 HydrophobicContact CG-CG 4.35Å; C145-W179 WeakPolarHBondContact O-CZ2 3.34Å; L150-W179 HydrophobicContact CD1-CB 4.38Å; L150-W179 HydrophobicContact CD1-CD2 3.83Å; L150-W179 HydrophobicContact CD1-CE3 3.54Å; L150-W179 HydrophobicContact CD1-CG 4.22Å; L150-W179 HydrophobicContact CD1-CZ3 4.11Å; L150-W179 HydrophobicContact CD2-CB 3.68Å; L150-W179 HydrophobicContact CD2-CE3 4.21Å; L150-W179 HydrophobicContact CD2-CG 4.36Å; L150-W179 HydrophobicContact CG-CE3 4.44Å; Y173-W179 CarbonylContact O-C 3.56Å; Y173-W179 WeakPolarHBondContact O-CA 3.41Å; A174-W179 HydrophobicContact CB-CB 4.27Å |
| 180 | F | 95 | Very high | 93.8 | Very high | 43 Ų | 43 | 45 Ų | 45 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 146.5 | -177.1 | -176.3 | -114.2 | 0 | 0 | 0 | 111 | I103 Y173 L194 W196 | I103-F180 HydrophobicContact CD1-CD1 3.79Å; I103-F180 HydrophobicContact CD1-CE1 3.55Å; I103-F180 HydrophobicContact CG1-CE1 4.5Å; Y173-F180 HydrophobicContact CD2-CD1 4.49Å; Y173-F180 PolarHBondContact N-O 3.41Å; Y173-F180 PolarHBondContact O-N 3.25Å; F180-L194 HydrophobicContact CB-CD1 3.95Å; F180-L194 HydrophobicContact CB-CD2 3.84Å; F180-L194 HydrophobicContact CD1-CD1 3.68Å; F180-L194 HydrophobicContact CD2-CD1 4.16Å; F180-L194 HydrophobicContact CE1-CD1 4.17Å; F180-L194 HydrophobicContact CG-CD1 3.66Å; F180-L194 HydrophobicContact CG-CD2 4.29Å; F180-W196 HydrophobicContact CB-CH2 3.94Å; F180-W196 HydrophobicContact CB-CZ3 4.5Å |
| 181 | S | 95.5 | Very high | 93.6 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 22% | 0.224 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.1 | 172.9 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | W141 R171 | W141-S181 PolarHBondContact N-OG 3.11Å; W141-S181 VanDerWaalsContact N-OG 3.13Å; R171-S181 WeakPolarHBondContact O-CA 3.42Å |
| 182 | S | 94.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.1 | 176.5 | -156.3 | 0 | 0 | 0 | 0 | 111 | G105 R171 E184 | G105-S182 WeakPolarHBondContact CA-O 3.37Å; G105-S182 PolarHBondContact N-O 3.17Å; R171-S182 PolarHBondContact N-O 2.77Å; R171-S182 PolarHBondContact O-N 3.33Å; S182-E184 PolarHBondContact OG-O 2.93Å |
| 183 | S | 94 | Very high | 92.8 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -96.7 | -45.4 | 164.5 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | G105 | G105-S183 VanDerWaalsContact CA-O 3.28Å; G105-S183 WeakPolarHBondContact CA-O 3.04Å; G105-S183 PolarHBondContact N-O 2.92Å; G105-S183 VanDerWaalsContact N-O 3.08Å |
| 184 | E | 91.8 | Very high | 92.5 | Very high | 143 Ų | 143 | 54.9 Ų | 54.9 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -86.9 | 157.3 | -175.9 | -66.2 | -177.4 | -171.7 | 0 | 0 | 112.8 | G104 S182 T186 | G104-E184 WeakPolarHBondContact CA-O 3.35Å; S182-E184 PolarHBondContact OG-O 2.93Å; E184-T186 PolarHBondContact O-N 3.49Å |
| 185 | T | 91.2 | Very high | 92.3 | Very high | 57 Ų | 57 | 62.5 Ų | 62.5 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -80.5 | 116.8 | 174.5 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | F102 I103 V108 | F102-T185 HydrophobicContact CB-CG2 3.88Å; F102-T185 HydrophobicContact CD1-CG2 4.15Å; F102-T185 HydrophobicContact CG-CG2 4.16Å; I103-T185 CarbonylContact O-C 3.36Å; I103-T185 WeakPolarHBondContact O-CA 3.49Å; V108-T185 HydrophobicContact CG1-CG2 4.46Å; V108-T185 WeakPolarHBondContact CG2-OG1 3.11Å | ||
| 186 | T | 91.6 | Very high | 92.2 | Very high | 32 Ų | 32 | 63.1 Ų | 63.1 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.5 | -177.9 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | F102 I103 E184 N190 Q191 | F102-T186 WeakPolarHBondContact CA-O 3.49Å; I103-T186 PolarHBondContact N-O 2.87Å; I103-T186 PolarHBondContact O-N 3.29Å; I103-T186 VanDerWaalsContact O-O 3.13Å; E184-T186 PolarHBondContact O-N 3.49Å; T186-N190 HydrophobicContact CG2-CB 4.09Å; T186-Q191 HydrophobicContact CG2-CG 4.3Å |
| 187 | D | 90.4 | Very high | 92 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131.3 | 171.4 | -165.6 | -45 | 0 | 0 | 0 | 109.3 | F102 R189 N190 | F102-D187 HydrophobicContact CD1-CB 4.06Å; F102-D187 HydrophobicContact CE1-CB 3.96Å; D187-R189 VanDerWaalsContact CG-NE 3.34Å; D187-R189 PolarHBondContact O-N 3.04Å; D187-R189 VanDerWaalsContact O-N 3.13Å; D187-R189 VanDerWaalsContact OD1-CB 3.3Å; D187-R189 WeakPolarHBondContact OD1-CB 3.44Å; D187-R189 VanDerWaalsContact OD1-CG 3.26Å; D187-R189 WeakPolarHBondContact OD1-CG 3.1Å; D187-R189 PolarHBondContact OD1-N 3.08Å; D187-R189 IonicContact OD1-NE 2.84Å; D187-R189 PolarHBondContact OD1-NE 3.35Å; D187-R189 VanDerWaalsContact OD1-NE 3.11Å; D187-R189 IonicContact OD2-CZ 2.99Å; D187-R189 IonicContact OD2-NE 2.73Å; D187-R189 PolarHBondContact OD2-NE 3.49Å; D187-R189 IonicContact OD2-NH2 3.11Å; D187-R189 PolarHBondContact OD2-NH2 2.99Å; D187-N190 WeakPolarHBondContact O-CB 3.42Å; D187-N190 PolarHBondContact O-N 3.29Å |
| 188 | L | 90.8 | Very high | 91.6 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -59.8 | -25.4 | 179.9 | -170.9 | 62 | 0 | 0 | 0 | 112.2 | V101 I103 L124 N190 Q191 L194 W196 | V101-L188 HydrophobicContact CB-CB 4.17Å; V101-L188 HydrophobicContact CB-CD2 4.26Å; V101-L188 HydrophobicContact CG1-CB 4.31Å; V101-L188 HydrophobicContact CG1-CD2 3.86Å; V101-L188 WeakPolarHBondContact O-CB 3.28Å; V101-L188 PolarHBondContact O-N 2.82Å; I103-L188 HydrophobicContact CD1-CD1 4.15Å; I103-L188 HydrophobicContact CG2-CD1 4.19Å; L124-L188 HydrophobicContact CD2-CD2 4.26Å; L188-N190 PolarHBondContact O-N 3.17Å; L188-Q191 CarbonylContact O-C 3.55Å; L188-Q191 PolarHBondContact O-N 3.2Å; L188-L194 HydrophobicContact CD1-CB 3.92Å; L188-L194 HydrophobicContact CD1-CD1 4.4Å; L188-W196 HydrophobicContact CD1-CB 4.42Å; L188-W196 HydrophobicContact CD1-CE3 4.33Å; L188-W196 HydrophobicContact CD2-CB 4.03Å; L188-W196 WeakPolarHBondContact CD2-O 3.49Å |
| 189 | R | 88.2 | Confident | 90.4 | Very high | 183 Ų | 183 | 63.8 Ų | 63.8 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60.4 | -25.5 | 173.3 | -65.5 | 179.1 | -69.2 | 166.6 | 1.9 | 113.3 | D187 Q191 | D187-R189 VanDerWaalsContact CG-NE 3.34Å; D187-R189 PolarHBondContact O-N 3.04Å; D187-R189 VanDerWaalsContact O-N 3.13Å; D187-R189 VanDerWaalsContact OD1-CB 3.3Å; D187-R189 WeakPolarHBondContact OD1-CB 3.44Å; D187-R189 VanDerWaalsContact OD1-CG 3.26Å; D187-R189 WeakPolarHBondContact OD1-CG 3.1Å; D187-R189 PolarHBondContact OD1-N 3.08Å; D187-R189 IonicContact OD1-NE 2.84Å; D187-R189 PolarHBondContact OD1-NE 3.35Å; D187-R189 VanDerWaalsContact OD1-NE 3.11Å; D187-R189 IonicContact OD2-CZ 2.99Å; D187-R189 IonicContact OD2-NE 2.73Å; D187-R189 PolarHBondContact OD2-NE 3.49Å; D187-R189 IonicContact OD2-NH2 3.11Å; D187-R189 PolarHBondContact OD2-NH2 2.99Å; R189-Q191 PolarHBondContact O-N 3.18Å |
| 190 | N | 90.5 | Very high | 88.5 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -82.7 | -3.3 | 177 | -59.8 | -15.2 | 0 | 0 | 0 | 112.5 | T186 D187 L188 P192 | T186-N190 HydrophobicContact CG2-CB 4.09Å; D187-N190 WeakPolarHBondContact O-CB 3.42Å; D187-N190 PolarHBondContact O-N 3.29Å; L188-N190 PolarHBondContact O-N 3.17Å; N190-P192 VanDerWaalsContact C-CD 3.48Å |
| 191 | Q | 90.5 | Very high | 86.1 | Confident | 45 Ų | 45 | 70.5 Ų | 70.5 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | trans | -127.7 | 65.8 | -178.2 | -60.2 | -64.6 | -21.7 | 0 | 0 | 110.3 | I103 T186 L188 R189 Q193 L194 | I103-Q191 HydrophobicContact CD1-CG 4.37Å; T186-Q191 HydrophobicContact CG2-CG 4.3Å; L188-Q191 CarbonylContact O-C 3.55Å; L188-Q191 PolarHBondContact O-N 3.2Å; R189-Q191 PolarHBondContact O-N 3.18Å; Q191-Q193 VanDerWaalsContact CA-OE1 3.31Å; Q191-Q193 PolarHBondContact O-N 3.46Å; Q191-Q193 VanDerWaalsContact O-N 3.12Å; Q191-L194 HydrophobicContact CB-CB 4.31Å; Q191-L194 HydrophobicContact CB-CD1 3.74Å; Q191-L194 HydrophobicContact CB-CG 4Å; Q191-L194 HydrophobicContact CG-CD1 4.25Å; Q191-L194 WeakPolarHBondContact O-CB 3.39Å; Q191-L194 PolarHBondContact O-N 3.22Å | ||
| 192 | P | 87.2 | Confident | 83.3 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 66% | 0.662 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.2 | -173.7 | 27.2 | -36 | 0 | 0 | 0 | 113.9 | N190 L194 | N190-P192 VanDerWaalsContact C-CD 3.48Å; P192-L194 VanDerWaalsContact C-N 3.26Å; P192-L194 PolarHBondContact O-N 3.34Å |
| 193 | Q | 90.1 | Very high | 80.4 | Confident | 98 Ų | 98 | 80.7 Ų | 80.7 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -28.8 | 173.1 | 77.1 | -77.8 | 15.9 | 0 | 0 | 112.4 | N178 Q191 R195 | N178-Q193 PolarHBondContact ND2-O 2.97Å; Q191-Q193 VanDerWaalsContact CA-OE1 3.31Å; Q191-Q193 PolarHBondContact O-N 3.46Å; Q191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-R195 VanDerWaalsContact C-N 3.26Å; Q193-R195 PolarHBondContact O-N 3.34Å |
| 194 | L | 89.6 | Confident | 77.6 | Confident | 5 Ų | 5 | 82.2 Ų | 82.2 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -81.6 | 81.1 | 171.2 | -52.4 | 179 | 0 | 0 | 0 | 106.5 | I103 F180 L188 Q191 P192 W196 | I103-L194 HydrophobicContact CD1-CD1 3.65Å; F180-L194 HydrophobicContact CB-CD1 3.95Å; F180-L194 HydrophobicContact CB-CD2 3.84Å; F180-L194 HydrophobicContact CD1-CD1 3.68Å; F180-L194 HydrophobicContact CD2-CD1 4.16Å; F180-L194 HydrophobicContact CE1-CD1 4.17Å; F180-L194 HydrophobicContact CG-CD1 3.66Å; F180-L194 HydrophobicContact CG-CD2 4.29Å; L188-L194 HydrophobicContact CD1-CB 3.92Å; L188-L194 HydrophobicContact CD1-CD1 4.4Å; Q191-L194 HydrophobicContact CB-CB 4.31Å; Q191-L194 HydrophobicContact CB-CD1 3.74Å; Q191-L194 HydrophobicContact CB-CG 4Å; Q191-L194 HydrophobicContact CG-CD1 4.25Å; Q191-L194 WeakPolarHBondContact O-CB 3.39Å; Q191-L194 PolarHBondContact O-N 3.22Å; P192-L194 VanDerWaalsContact C-N 3.26Å; P192-L194 PolarHBondContact O-N 3.34Å; L194-W196 HydrophobicContact CB-CD2 3.98Å; L194-W196 HydrophobicContact CB-CE3 4.06Å; L194-W196 HydrophobicContact CB-CG 4.36Å; L194-W196 HydrophobicContact CB-CZ3 4.43Å; L194-W196 HydrophobicContact CD1-CE3 4.33Å; L194-W196 HydrophobicContact CD1-CH2 4.35Å; L194-W196 HydrophobicContact CD1-CZ3 4Å; L194-W196 HydrophobicContact CD2-CH2 3.95Å; L194-W196 HydrophobicContact CD2-CZ2 3.96Å; L194-W196 HydrophobicContact CD2-CZ3 4.35Å; L194-W196 HydrophobicContact CG-CZ3 4.49Å; L194-W196 PolarHBondContact O-N 3.34Å |
| 195 | R | 92.3 | Very high | 74.8 | Confident | 159 Ų | 159 | 80.3 Ų | 80.3 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | trans | -68.8 | 57.1 | 176.1 | -62.3 | 179.5 | -175.9 | 176.6 | 2.5 | 110.6 | C126 N127 S128 Q193 | C126-R195 CarbonylContact C-O 3.59Å; N127-R195 HydrophobicContact CB-CB 4.37Å; N127-R195 WeakPolarHBondContact CB-O 3.35Å; N127-R195 PolarHBondContact N-O 3.44Å; N127-R195 PolarHBondContact OD1-O 3.32Å; S128-R195 VanDerWaalsContact OG-CD 3.32Å; S128-R195 WeakPolarHBondContact OG-CD 3.36Å; Q193-R195 VanDerWaalsContact C-N 3.26Å; Q193-R195 PolarHBondContact O-N 3.34Å | ||
| 196 | W | 93.4 | Very high | 72.4 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 5% | 0.049 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 146.4 | -177 | -59 | -15.9 | 0 | 0 | 0 | 108.9 | L124 R125 V133 Y173 F180 L188 L194 | L124-W196 HydrophobicContact CD1-CE3 4.42Å; R125-W196 CarbonylContact O-C 3.58Å; R125-W196 VanDerWaalsContact O-CA 3.27Å; R125-W196 WeakPolarHBondContact O-CA 3.33Å; V133-W196 HydrophobicContact CG1-CD2 4.16Å; V133-W196 HydrophobicContact CG1-CE3 4.03Å; V133-W196 HydrophobicContact CG1-CH2 3.98Å; V133-W196 HydrophobicContact CG1-CZ2 4.08Å; V133-W196 HydrophobicContact CG1-CZ3 3.94Å; V133-W196 HydrophobicContact CG2-CB 4.27Å; V133-W196 HydrophobicContact CG2-CD2 3.65Å; V133-W196 HydrophobicContact CG2-CE3 4.22Å; V133-W196 HydrophobicContact CG2-CG 3.66Å; Y173-W196 HydrophobicContact CD1-CZ3 4.29Å; Y173-W196 HydrophobicContact CG-CH2 4.37Å; Y173-W196 HydrophobicContact CG-CZ3 4.07Å; F180-W196 HydrophobicContact CB-CH2 3.94Å; F180-W196 HydrophobicContact CB-CZ3 4.5Å; L188-W196 HydrophobicContact CD1-CB 4.42Å; L188-W196 HydrophobicContact CD1-CE3 4.33Å; L188-W196 HydrophobicContact CD2-CB 4.03Å; L188-W196 WeakPolarHBondContact CD2-O 3.49Å; L194-W196 HydrophobicContact CB-CD2 3.98Å; L194-W196 HydrophobicContact CB-CE3 4.06Å; L194-W196 HydrophobicContact CB-CG 4.36Å; L194-W196 HydrophobicContact CB-CZ3 4.43Å; L194-W196 HydrophobicContact CD1-CE3 4.33Å; L194-W196 HydrophobicContact CD1-CH2 4.35Å; L194-W196 HydrophobicContact CD1-CZ3 4Å; L194-W196 HydrophobicContact CD2-CH2 3.95Å; L194-W196 HydrophobicContact CD2-CZ2 3.96Å; L194-W196 HydrophobicContact CD2-CZ3 4.35Å; L194-W196 HydrophobicContact CG-CZ3 4.49Å; L194-W196 PolarHBondContact O-N 3.34Å |
| 197 | N | 90.6 | Very high | 69.9 | Low | 49 Ų | 49 | 87.3 Ų | 87.3 | 26% | 0.262 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 173.8 | 177.8 | 71.4 | 34.8 | 0 | 0 | 0 | 109.5 | L124 R125 N127 | L124-N197 CarbonylContact C-O 3.5Å; L124-N197 VanDerWaalsContact CA-O 3.22Å; L124-N197 WeakPolarHBondContact CA-O 3.22Å; R125-N197 PolarHBondContact N-O 3.1Å; R125-N197 PolarHBondContact O-N 2.86Å; R125-N197 PolarHBondContact O-OD1 2.92Å; N127-N197 WeakPolarHBondContact OD1-CB 3.4Å; N127-N197 PolarHBondContact OD1-ND2 2.98Å |
| 198 | I | 86.6 | Confident | 67.6 | Low | 18 Ų | 18 | 90.3 Ų | 90.3 | 9% | 0.092 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.3 | 168.4 | -57.2 | 153.4 | 0 | 0 | 0 | 107.5 | K97 C98 V101 Q123 F200 | K97-I198 HydrophobicContact CB-CD1 4.36Å; C98-I198 HydrophobicContact CB-CD1 3.65Å; C98-I198 HydrophobicContact CB-CG1 4.22Å; C98-I198 WeakPolarHBondContact O-CD1 3.05Å; V101-I198 HydrophobicContact CG1-CG1 4.27Å; V101-I198 HydrophobicContact CG2-CD1 3.53Å; V101-I198 HydrophobicContact CG2-CG1 3.83Å; Q123-I198 HydrophobicContact CB-CG2 4.33Å; Q123-I198 CarbonylContact O-C 3.52Å; Q123-I198 WeakPolarHBondContact O-CA 3.23Å; I198-F200 WeakPolarHBondContact O-CD2 3.32Å; I198-F200 PolarHBondContact O-N 3.43Å |
| 199 | H | 69.3 | Low | 65.4 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | trans | -60.2 | 109.7 | 174 | -174.6 | -128.2 | 0 | 0 | 0 | 110.2 | Q123 R125 L201 | Q123-H199 PolarHBondContact O-N 2.78Å; R125-H199 HydrophobicContact CB-CB 4.14Å; R125-H199 WeakPolarHBondContact CD-CD2 3.27Å; R125-H199 PolarHBondContact NH1-CD2 2.99Å; R125-H199 PolarHBondContact NH1-NE2 2.68Å; H199-L201 PolarHBondContact O-N 3.43Å | ||
| 200 | F | 56.4 | Low | 63 | Low | 112 Ų | 112 | 96.4 Ų | 96.4 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | trans | -77.5 | 114.3 | 175.2 | -68.6 | -77.3 | 0 | 0 | 0 | 110.2 | I198 C203 | I198-F200 WeakPolarHBondContact O-CD2 3.32Å; I198-F200 PolarHBondContact O-N 3.43Å; F200-C203 HydrophobicContact CD1-CB 3.23Å; F200-C203 HydrophobicContact CE1-CB 3.21Å; F200-C203 HydrophobicContact CG-CB 4.4Å; F200-C203 HydrophobicContact CZ-CB 4.37Å | ||
| 201 | L | 44.4 | Very low | 60.6 | Low | 156 Ų | 156 | 93.4 Ų | 93.4 | 82% | 0.817 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -89.2 | 95.6 | 138.6 | -68.3 | 175.5 | 0 | 0 | 0 | 105.5 | H199 | H199-L201 PolarHBondContact O-N 3.43Š|
| 202 | F | 35.4 | Very low | 58.2 | Low | 208 Ų | 208 | 99 Ų | 99 | 91% | 0.912 | 53% | 0.525 | S | S | * | . | trans | 53.7 | 98 | 176.5 | -98.8 | -102.5 | 0 | 0 | 0 | 116.8 | ||||
| 203 | C | 35 | Very low | 56 | Low | 49 Ų | 49 | 103.3 Ų | 103.3 | 33% | 0.331 | 53% | 0.53 | S | S | . | . | trans | -119.6 | 121.2 | 148.2 | -168.2 | 0 | 0 | 0 | 0 | 107.2 | K97 F200 | K97-C203 PolarHBondContact NZ-SG 3.25Å; K97-C203 VanDerWaalsContact NZ-SG 3.4Å; F200-C203 HydrophobicContact CD1-CB 3.23Å; F200-C203 HydrophobicContact CE1-CB 3.21Å; F200-C203 HydrophobicContact CG-CB 4.4Å; F200-C203 HydrophobicContact CZ-CB 4.37Å | ||
| 204 | P | 33.4 | Very low | 53.7 | Low | 97 Ų | 97 | 102.6 Ų | 102.6 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | trans | -61.6 | 154.8 | 171.8 | 26.7 | -31.6 | 0 | 0 | 0 | 109.8 | ||||
| 205 | P | 32.8 | Very low | 51.6 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | trans | -59.1 | 153.3 | -174 | 21.8 | -31.4 | 0 | 0 | 0 | 112.6 | S207 | P205-S207 PolarHBondContact O-N 2.76Š| ||
| 206 | V | 42.3 | Very low | 49.4 | Very low | 141 Ų | 141 | 110.4 Ų | 110.4 | 86% | 0.855 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -69.5 | 41.8 | 176.9 | 141.5 | 0 | 0 | 0 | 0 | 112.3 | S208 | V206-S208 VanDerWaalsContact C-N 3.33Š|
| 207 | S | 38.5 | Very low | 47.2 | Very low | 95 Ų | 95 | 113 Ų | 113 | 66% | 0.664 | 59% | 0.589 | S | S | * | * | trans | -89.7 | 2.6 | 165.7 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | P205 | P205-S207 PolarHBondContact O-N 2.76Š| ||
| 208 | S | 41.5 | Very low | 45 | Very low | 78 Ų | 78 | 119.8 Ų | 119.8 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.7 | 42.4 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 113.9 | V206 S211 | V206-S208 VanDerWaalsContact C-N 3.33Å; S208-S211 WeakPolarHBondContact OG-CB 3.22Å |
| 209 | L | 45.1 | Very low | 43.2 | Very low | 157 Ų | 157 | 123.6 Ų | 123.6 | 82% | 0.822 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -8.5 | 157.2 | -111.2 | 137.7 | 0 | 0 | 0 | 112.7 | ||
| 210 | E | 37.8 | Very low | 42.2 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -91.7 | -7 | 167.7 | -75.2 | -175.6 | 112.9 | 0 | 0 | 114 | H212 Y213 | E210-H212 PolarHBondContact O-N 3.02Å; E210-Y213 PolarHBondContact O-N 3.3Å |
| 211 | S | 40.2 | Very low | 41.8 | Very low | 47 Ų | 47 | 129.5 Ų | 129.5 | 33% | 0.329 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -81 | 9.5 | 178.4 | -143.6 | 0 | 0 | 0 | 0 | 114.2 | S208 Y213 | S208-S211 WeakPolarHBondContact OG-CB 3.22Å; S211-Y213 VanDerWaalsContact C-N 3.28Å |
| 212 | H | 40.4 | Very low | 41.9 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.745 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.8 | -10.5 | 163.5 | -108.9 | -97.6 | 0 | 0 | 0 | 113 | E210 | E210-H212 PolarHBondContact O-N 3.02Å |
| 213 | Y | 41.7 | Very low | 42.3 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -92.4 | -27.9 | 174.8 | -159.2 | -100.7 | 0 | 0 | 0 | 113.4 | E210 S211 | E210-Y213 PolarHBondContact O-N 3.3Å; S211-Y213 VanDerWaalsContact C-N 3.28Å |
| 214 | S | 41.5 | Very low | 42.9 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 58% | 0.58 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -95.7 | -8.4 | -174.9 | -158.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 215 | R | 45.8 | Very low | 43.6 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -78.6 | -17.8 | 171.3 | -76.3 | -178.7 | 177.4 | -179.3 | -0.7 | 113.7 | S217 V219 | R215-S217 VanDerWaalsContact C-N 3.25Å; R215-S217 PolarHBondContact O-N 3.35Å; R215-V219 PolarHBondContact O-N 3.08Å |
| 216 | K | 45.5 | Very low | 44 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64.5 | -28.9 | 173.4 | -70.6 | -174.7 | 178.6 | -179.7 | 0 | 112.3 | M220 | K216-M220 VanDerWaalsContact O-CB 3.22Å; K216-M220 WeakPolarHBondContact O-CB 3.31Å; K216-M220 VanDerWaalsContact O-CG 3.27Å; K216-M220 WeakPolarHBondContact O-CG 3.19Å; K216-M220 PolarHBondContact O-N 3.02Å |
| 217 | S | 46.2 | Very low | 44.4 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 46% | 0.462 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -79.7 | -18.3 | -176.5 | -71.3 | 0 | 0 | 0 | 0 | 115.4 | R215 R221 | R215-S217 VanDerWaalsContact C-N 3.25Å; R215-S217 PolarHBondContact O-N 3.35Å; S217-R221 PolarHBondContact O-NE 3.49Å; S217-R221 VanDerWaalsContact O-NE 3.08Å |
| 218 | R | 45.8 | Very low | 45 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -91.4 | -36.6 | 174.1 | -124.8 | 179.2 | -164 | -177.9 | 5.3 | 112 | R221 L222 | R218-R221 PolarHBondContact O-N 3.37Å; R218-L222 PolarHBondContact O-N 3.12Å |
| 219 | V | 48.4 | Very low | 45.1 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 59% | 0.594 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.9 | -37.4 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | R215 R221 L222 L223 | R215-V219 PolarHBondContact O-N 3.08Å; V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 3.18Å; V219-L222 PolarHBondContact O-N 3.21Å; V219-L223 PolarHBondContact O-N 2.87Å |
| 220 | M | 47.3 | Very low | 45.3 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 59% | 0.591 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67.4 | -22.9 | 172.3 | -78.9 | -78 | -100.5 | 0 | 0 | 113.8 | K216 K224 | K216-M220 VanDerWaalsContact O-CB 3.22Å; K216-M220 WeakPolarHBondContact O-CB 3.31Å; K216-M220 VanDerWaalsContact O-CG 3.27Å; K216-M220 WeakPolarHBondContact O-CG 3.19Å; K216-M220 PolarHBondContact O-N 3.02Å; M220-K224 PolarHBondContact O-N 3.18Å |
| 221 | R | 48.5 | Very low | 46 | Very low | 176 Ų | 176 | 152 Ų | 152 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -79.2 | -29.7 | 174 | -98.3 | -177.7 | -83.8 | 171.6 | -13.6 | 112.9 | S217 R218 V219 | S217-R221 PolarHBondContact O-NE 3.49Å; S217-R221 VanDerWaalsContact O-NE 3.08Å; R218-R221 PolarHBondContact O-N 3.37Å; V219-R221 VanDerWaalsContact C-N 3.27Å; V219-R221 PolarHBondContact O-N 3.18Å |
| 222 | L | 45.8 | Very low | 46.6 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -80.9 | -29.3 | 172.7 | -77.2 | 161.2 | 0 | 0 | 0 | 112.3 | R218 V219 R225 | R218-L222 PolarHBondContact O-N 3.12Å; V219-L222 PolarHBondContact O-N 3.21Å; L222-R225 PolarHBondContact O-N 3.28Å |
| 223 | L | 45.7 | Very low | 47.3 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 61% | 0.613 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.4 | -21.3 | 175.7 | -144.6 | 74.4 | 0 | 0 | 0 | 113.8 | V219 R225 | V219-L223 PolarHBondContact O-N 2.87Å; L223-R225 VanDerWaalsContact C-N 3.31Å |
| 224 | K | 47.2 | Very low | 47.9 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -12.1 | 172.5 | -87.7 | -178.2 | 176.7 | 179.8 | 0 | 114.3 | M220 | M220-K224 PolarHBondContact O-N 3.18Š|
| 225 | R | 47.2 | Very low | 48.4 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 89% | 0.887 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -3.8 | 178.7 | -121.1 | 173.3 | 176.2 | 177.9 | -2.4 | 114.3 | L222 L223 | L222-R225 PolarHBondContact O-N 3.28Å; L223-R225 VanDerWaalsContact C-N 3.31Å |
| 226 | S | 41.5 | Very low | 48.8 | Very low | 86 Ų | 86 | 141.4 Ų | 141.4 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | trans | -108.1 | 43.9 | 175.4 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | R228 | S226-R228 VanDerWaalsContact C-N 3.26Å; S226-R228 PolarHBondContact O-N 3.41Å | ||
| 227 | R | 50.1 | Low | 49.2 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | trans | -90.8 | 61 | 159.7 | -98.7 | -172.6 | 172.6 | -179 | -2 | 109.4 | ||||
| 228 | R | 52.4 | Low | 49.6 | Very low | 248 Ų | 248 | 143.7 Ų | 143.7 | 94% | 0.936 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -167.2 | 83.3 | 162.3 | -106.2 | 176.3 | -159.4 | -177.4 | 5.1 | 107.5 | S226 | S226-R228 VanDerWaalsContact C-N 3.26Å; S226-R228 PolarHBondContact O-N 3.41Å |
| 229 | G | 42 | Very low | 50.1 | Low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 154.7 | 85.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 230 | R | 50.3 | Low | 50.3 | Low | 230 Ų | 230 | 143.4 Ų | 143.4 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | trans | 40.3 | 106.7 | 147 | -65.2 | 178.5 | -164.8 | 177.9 | 5 | 119.7 | T232 | R230-T232 PolarHBondContact O-N 3.43Š| ||
| 231 | K | 52 | Low | 50.9 | Low | 205 Ų | 205 | 144.1 Ų | 144.1 | 89% | 0.891 | 70% | 0.7 | S | S | * | * | S | Bend | 46.9 | 56.3 | 124 | -57.1 | -174.4 | -179.8 | -176.5 | 0 | 118.6 | |||
| 232 | T | 52.7 | Low | 51.4 | Low | 114 Ų | 114 | 139 Ų | 139 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | trans | -142.5 | 8.7 | 156.2 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | R230 | R230-T232 PolarHBondContact O-N 3.43Š| ||
| 233 | T | 56.1 | Low | 51.9 | Low | 99 Ų | 99 | 141.9 Ų | 141.9 | 61% | 0.607 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -81.9 | -17.6 | -169.4 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | M237 | T233-M237 PolarHBondContact O-N 3.01Å |
| 234 | A | 54.1 | Low | 52.3 | Low | 74 Ų | 74 | 139 Ų | 139 | 61% | 0.612 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.6 | -47.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V236 M237 E238 | A234-V236 VanDerWaalsContact C-N 3.27Å; A234-V236 PolarHBondContact O-N 3.02Å; A234-M237 PolarHBondContact O-N 3.29Å; A234-E238 PolarHBondContact O-N 3.17Å |
| 235 | A | 52.3 | Low | 52.9 | Low | 65 Ų | 65 | 132.7 Ų | 132.7 | 54% | 0.537 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -66.7 | -28.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R239 | A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-N 3.46Å |
| 236 | V | 53.6 | Low | 53.3 | Low | 94 Ų | 94 | 125.3 Ų | 125.3 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.4 | -38.7 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | A234 C240 | A234-V236 VanDerWaalsContact C-N 3.27Å; A234-V236 PolarHBondContact O-N 3.02Å; V236-C240 WeakPolarHBondContact O-CB 3.37Å; V236-C240 PolarHBondContact O-N 3.21Å; V236-C240 PolarHBondContact O-SG 2.73Å |
| 237 | M | 54.8 | Low | 53.7 | Low | 112 Ų | 112 | 124.3 Ų | 124.3 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.8 | -41.9 | 174.2 | -80.4 | -170.6 | -161.8 | 0 | 0 | 112.5 | T233 A234 C240 M241 | T233-M237 PolarHBondContact O-N 3.01Å; A234-M237 PolarHBondContact O-N 3.29Å; M237-C240 PolarHBondContact O-N 3.09Å; M237-M241 WeakPolarHBondContact O-CG 3.4Å; M237-M241 PolarHBondContact O-N 3.3Å |
| 238 | E | 54 | Low | 53.7 | Low | 145 Ų | 145 | 118.9 Ų | 118.9 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.1 | -44.6 | 176.9 | -92.8 | -156.1 | 144.3 | 0 | 0 | 112.2 | A234 C240 M241 A242 | A234-E238 PolarHBondContact O-N 3.17Å; E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.27Å; E238-M241 PolarHBondContact O-N 2.59Å; E238-A242 WeakPolarHBondContact O-CB 3.41Å; E238-A242 PolarHBondContact O-N 3.13Å |
| 239 | R | 55.6 | Low | 53.8 | Low | 205 Ų | 205 | 113.2 Ų | 113.2 | 77% | 0.774 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -33.7 | 177.1 | -72.1 | 175.7 | 81.9 | 176.1 | 5.9 | 112.2 | A235 W243 | A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-N 3.46Å; R239-W243 WeakPolarHBondContact O-CB 3.2Å; R239-W243 PolarHBondContact O-N 2.83Å; R239-W243 VanDerWaalsContact O-N 3.08Å |
| 240 | C | 52.5 | Low | 54.2 | Low | 81 Ų | 81 | 112.7 Ų | 112.7 | 55% | 0.547 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.1 | -39.5 | 173.3 | -79.9 | 0 | 0 | 0 | 0 | 112.8 | V236 M237 E238 A244 | V236-C240 WeakPolarHBondContact O-CB 3.37Å; V236-C240 PolarHBondContact O-N 3.21Å; V236-C240 PolarHBondContact O-SG 2.73Å; M237-C240 PolarHBondContact O-N 3.09Å; E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.27Å; C240-A244 WeakPolarHBondContact O-CB 3.38Å; C240-A244 PolarHBondContact O-N 2.93Å |
| 241 | M | 60.6 | Low | 54.5 | Low | 135 Ų | 135 | 105.8 Ų | 105.8 | 67% | 0.665 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.3 | -38 | 177.4 | -70.7 | -159.2 | -74.2 | 0 | 0 | 112.1 | M237 E238 A244 G245 | M237-M241 WeakPolarHBondContact O-CG 3.4Å; M237-M241 PolarHBondContact O-N 3.3Å; E238-M241 PolarHBondContact O-N 2.59Å; M241-A244 PolarHBondContact O-N 3.41Å; M241-G245 PolarHBondContact O-N 3.23Å |
| 242 | A | 59.2 | Low | 54.6 | Low | 69 Ų | 69 | 101.1 Ų | 101.1 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E238 G245 S246 | E238-A242 WeakPolarHBondContact O-CB 3.41Å; E238-A242 PolarHBondContact O-N 3.13Å; A242-G245 PolarHBondContact O-N 3.49Å; A242-S246 PolarHBondContact O-N 3.12Å; A242-S246 VanDerWaalsContact O-N 3.1Å |
| 243 | W | 55.9 | Low | 54.8 | Low | 193 Ų | 193 | 102.2 Ų | 102.2 | 73% | 0.731 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.3 | -38 | 176 | -170.6 | 76.9 | 0 | 0 | 0 | 112.3 | R239 S246 C247 | R239-W243 WeakPolarHBondContact O-CB 3.2Å; R239-W243 PolarHBondContact O-N 2.83Å; R239-W243 VanDerWaalsContact O-N 3.08Å; W243-S246 PolarHBondContact O-N 2.96Å; W243-C247 WeakPolarHBondContact O-CB 3.4Å; W243-C247 PolarHBondContact O-N 2.76Å; W243-C247 VanDerWaalsContact O-N 3.08Å |
| 244 | A | 53.4 | Low | 54.8 | Low | 57 Ų | 57 | 104.7 Ų | 104.7 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.2 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | C240 M241 C247 H248 | C240-A244 WeakPolarHBondContact O-CB 3.38Å; C240-A244 PolarHBondContact O-N 2.93Å; M241-A244 PolarHBondContact O-N 3.41Å; A244-C247 PolarHBondContact O-N 3.05Å; A244-H248 PolarHBondContact O-N 3.4Å |
| 245 | G | 60 | Low | 54.9 | Low | 42 Ų | 42 | 104.8 Ų | 104.8 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M241 A242 C247 H248 Q249 | M241-G245 PolarHBondContact O-N 3.23Å; A242-G245 PolarHBondContact O-N 3.49Å; G245-C247 VanDerWaalsContact C-N 3.28Å; G245-C247 PolarHBondContact O-N 2.79Å; G245-H248 PolarHBondContact O-N 2.96Å; G245-Q249 PolarHBondContact O-N 3.4Å; G245-Q249 VanDerWaalsContact O-N 3.17Å |
| 246 | S | 55.8 | Low | 55 | Low | 80 Ų | 80 | 108.4 Ų | 108.4 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.2 | -32.8 | 179.7 | -162.4 | 0 | 0 | 0 | 0 | 112.7 | A242 W243 S250 | A242-S246 PolarHBondContact O-N 3.12Å; A242-S246 VanDerWaalsContact O-N 3.1Å; W243-S246 PolarHBondContact O-N 2.96Å; S246-S250 PolarHBondContact O-N 3.44Å |
| 247 | C | 49.9 | Very low | 55 | Low | 64 Ų | 64 | 106 Ų | 106 | 43% | 0.432 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.8 | -33.2 | 176.7 | -152.6 | 0 | 0 | 0 | 0 | 112.5 | W243 A244 G245 V251 | W243-C247 WeakPolarHBondContact O-CB 3.4Å; W243-C247 PolarHBondContact O-N 2.76Å; W243-C247 VanDerWaalsContact O-N 3.08Å; A244-C247 PolarHBondContact O-N 3.05Å; G245-C247 VanDerWaalsContact C-N 3.28Å; G245-C247 PolarHBondContact O-N 2.79Å; C247-V251 VanDerWaalsContact O-CG2 3.31Å; C247-V251 WeakPolarHBondContact O-CG2 3.33Å; C247-V251 PolarHBondContact O-N 3.46Å |
| 248 | H | 49.8 | Very low | 54.9 | Low | 120 Ų | 120 | 108.5 Ų | 108.5 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.4 | -39.3 | 175.5 | -169.3 | -97 | 0 | 0 | 0 | 111.7 | A244 G245 V251 Q252 | A244-H248 PolarHBondContact O-N 3.4Å; G245-H248 PolarHBondContact O-N 2.96Å; H248-V251 PolarHBondContact O-N 3.33Å; H248-Q252 PolarHBondContact O-N 2.93Å; H248-Q252 VanDerWaalsContact O-N 3.12Å |
| 249 | Q | 54.3 | Low | 54.8 | Low | 129 Ų | 129 | 108.9 Ų | 108.9 | 60% | 0.603 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.1 | -41.1 | -179.7 | -146.3 | 158.6 | 17.5 | 0 | 0 | 112 | G245 V251 Q252 E253 | G245-Q249 PolarHBondContact O-N 3.4Å; G245-Q249 VanDerWaalsContact O-N 3.17Å; Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 3.41Å; Q249-Q252 PolarHBondContact O-N 3.13Å; Q249-E253 PolarHBondContact O-N 3.23Å; Q249-E253 VanDerWaalsContact O-N 3.1Å |
| 250 | S | 51.5 | Low | 54.7 | Low | 53 Ų | 53 | 103.2 Ų | 103.2 | 37% | 0.371 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.6 | -25.8 | 176.6 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | S246 K254 | S246-S250 PolarHBondContact O-N 3.44Å; S250-K254 WeakPolarHBondContact O-CG 3.41Å |
| 251 | V | 55.7 | Low | 54.7 | Low | 86 Ų | 86 | 106.8 Ų | 106.8 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -76.6 | -39.1 | 173.3 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | C247 H248 Q249 K254 T255 | C247-V251 VanDerWaalsContact O-CG2 3.31Å; C247-V251 WeakPolarHBondContact O-CG2 3.33Å; C247-V251 PolarHBondContact O-N 3.46Å; H248-V251 PolarHBondContact O-N 3.33Å; Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 3.41Å; V251-K254 PolarHBondContact O-N 3.19Å; V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.39Å |
| 252 | Q | 55.4 | Low | 53.9 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.6 | -40.3 | 177 | -76.7 | -175.5 | -55.7 | 0 | 0 | 113 | H248 Q249 K254 T255 Q256 | H248-Q252 PolarHBondContact O-N 2.93Å; H248-Q252 VanDerWaalsContact O-N 3.12Å; Q249-Q252 PolarHBondContact O-N 3.13Å; Q252-K254 VanDerWaalsContact C-N 3.33Å; Q252-K254 PolarHBondContact O-N 3.14Å; Q252-T255 PolarHBondContact O-N 3.26Å; Q252-Q256 PolarHBondContact O-N 3.14Å |
| 253 | E | 56.2 | Low | 53.7 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.1 | -36.3 | 177 | -76.4 | 179 | 137.4 | 0 | 0 | 112.7 | Q249 G257 | Q249-E253 PolarHBondContact O-N 3.23Å; Q249-E253 VanDerWaalsContact O-N 3.1Å; E253-G257 PolarHBondContact O-N 3.02Å |
| 254 | K | 56.7 | Low | 53.6 | Low | 151 Ų | 151 | 110.3 Ų | 110.3 | 66% | 0.657 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.2 | -34.7 | 176.9 | -75.2 | 178.7 | -178.8 | 178.9 | 0 | 112.6 | S250 V251 Q252 Q258 | S250-K254 WeakPolarHBondContact O-CG 3.41Å; V251-K254 PolarHBondContact O-N 3.19Å; Q252-K254 VanDerWaalsContact C-N 3.33Å; Q252-K254 PolarHBondContact O-N 3.14Å; K254-Q258 PolarHBondContact O-N 3.4Å |
| 255 | T | 55.6 | Low | 53.6 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 47% | 0.466 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.8 | -35.4 | 177.9 | -45.1 | 0 | 0 | 0 | 0 | 111.6 | V251 Q252 | V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.39Å; Q252-T255 PolarHBondContact O-N 3.26Å |
| 256 | Q | 54.1 | Low | 53.2 | Low | 141 Ų | 141 | 117.5 Ų | 117.5 | 66% | 0.659 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.8 | -36.1 | 174.5 | -78.1 | -178.3 | -21.3 | 0 | 0 | 113 | Q252 Q258 Q259 | Q252-Q256 PolarHBondContact O-N 3.14Å; Q256-Q258 PolarHBondContact O-N 3.38Å; Q256-Q259 PolarHBondContact O-N 2.99Å |
| 257 | G | 53.5 | Low | 53 | Low | 45 Ų | 45 | 119.8 Ų | 119.8 | 46% | 0.464 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.6 | -24.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E253 | E253-G257 PolarHBondContact O-N 3.02Å |
| 258 | Q | 52.6 | Low | 53.3 | Low | 163 Ų | 163 | 123.5 Ų | 123.5 | 76% | 0.762 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82.3 | -18.6 | 175.2 | -77.7 | -169.3 | -39.8 | 0 | 0 | 114 | K254 Q256 | K254-Q258 PolarHBondContact O-N 3.4Å; Q256-Q258 PolarHBondContact O-N 3.38Å |
| 259 | Q | 53.2 | Low | 53.5 | Low | 154 Ų | 154 | 123.8 Ų | 123.8 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -89.8 | -9.6 | 177.7 | -76.8 | -177.2 | -25.3 | 0 | 0 | 113.8 | Q256 | Q256-Q259 PolarHBondContact O-N 2.99Å |
| 260 | A | 52.1 | Low | 53.4 | Low | 85 Ų | 85 | 123.4 Ų | 123.4 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -94.5 | 7.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 261 | L | 52.8 | Low | 53.6 | Low | 156 Ų | 156 | 129.3 Ų | 129.3 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | trans | -121.8 | 21.4 | -178.1 | -95.9 | 160.2 | 0 | 0 | 0 | 113.2 | ||||
| 262 | Q | 45.2 | Very low | 53.4 | Low | 251 Ų | 251 | 133.2 Ų | 133.2 | 100% | 1.173 | 69% | 0.687 | S | S | * | * | trans | -114.6 | 0 | 165.7 | -90.4 | -178.2 | -16.4 | 0 | 0 | 110.5 |
Retrieved 262 of 262 residues in 127.6 ms
(Link to these results)