| 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 | 29.2 | Very low | 29.7 | Very low | 230 Ų | 230 | 127.9 Ų | 127.9 | 100% | 1.133 | 83% | 0.832 | S | S | * | * | 0 | 145.1 | 0 | -78.8 | 171.4 | 163.2 | 0 | 0 | 108.2 | |||||
| 2 | F | 26 | Very low | 30.1 | Very low | 194 Ų | 194 | 126.4 Ų | 126.4 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | 15.1 | 144.9 | 156.3 | -58.9 | -77.1 | 0 | 0 | 0 | 120.5 | ||||
| 3 | S | 26.9 | Very low | 30.7 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 83% | 0.826 | S | S | * | * | cis | -166 | 168.1 | 6.8 | -128.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 4 | S | 30.5 | Very low | 31.1 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 9.4 | 146 | 141.8 | -46.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 5 | S | 29.1 | Very low | 32 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | -168.2 | 174.4 | 51.8 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 6 | A | 31.9 | Very low | 32.8 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -95.8 | 160.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 7 | S | 27.2 | Very low | 33.8 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -138.8 | 144.6 | 151.4 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | A | 28.3 | Very low | 34.5 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -100.5 | 137.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | A | 31.1 | Very low | 35.1 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -114.4 | 114 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T11 | A9-T11 PolarHBondContact O-N 3.39Š| ||
| 10 | S | 29.7 | Very low | 35.6 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -81.3 | 107.6 | -179.6 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 11 | T | 37.3 | Very low | 36 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -108.9 | 122.9 | 165.7 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | A9 F13 | A9-T11 PolarHBondContact O-N 3.39Å; T11-F13 PolarHBondContact O-N 3.42Å; T11-F13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | S | 34.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -76.5 | 91 | -177.5 | 35.8 | 0 | 0 | 0 | 0 | 111.5 | N14 | S12-N14 PolarHBondContact O-N 3.1Å; S12-N14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | F | 37.3 | Very low | 37.7 | Very low | 188 Ų | 188 | 111.6 Ų | 111.6 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | trans | -66.6 | 111.6 | 173.9 | -89.8 | -93.3 | 0 | 0 | 0 | 111.8 | T11 L15 | T11-F13 PolarHBondContact O-N 3.42Å; T11-F13 VanDerWaalsContact O-N 3.1Å; F13-L15 PolarHBondContact O-N 2.89Å | ||
| 14 | N | 36.1 | Very low | 38.5 | Very low | 120 Ų | 120 | 109.4 Ų | 109.4 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | trans | -75.4 | 110.7 | 179.3 | -93.5 | -67.4 | 0 | 0 | 0 | 111.7 | S12 G16 Q17 | S12-N14 PolarHBondContact O-N 3.1Å; S12-N14 VanDerWaalsContact O-N 3.15Å; N14-G16 PolarHBondContact O-N 3.4Å; N14-Q17 PolarHBondContact O-N 3.44Å | ||
| 15 | L | 44.3 | Very low | 39.4 | Very low | 137 Ų | 137 | 109.9 Ų | 109.9 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -64 | -12.5 | 179.7 | -155.9 | 69.7 | 0 | 0 | 0 | 113.8 | F13 | F13-L15 PolarHBondContact O-N 2.89Š|
| 16 | G | 45.9 | Very low | 40 | Very low | 63 Ų | 63 | 105.9 Ų | 105.9 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -74.5 | -18.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N14 | N14-G16 PolarHBondContact O-N 3.4Š|
| 17 | Q | 49.2 | Very low | 40.9 | Very low | 150 Ų | 150 | 105.8 Ų | 105.8 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -92.6 | -9.6 | -177.7 | -87 | 176.2 | -38.6 | 0 | 0 | 114.8 | N14 | N14-Q17 PolarHBondContact O-N 3.44Š|
| 18 | L | 45.8 | Very low | 41.6 | Very low | 112 Ų | 112 | 106.8 Ų | 106.8 | 59% | 0.586 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -85.4 | -20.7 | 178 | -78.1 | 164.1 | 0 | 0 | 0 | 113.7 | L21 A22 | L18-L21 PolarHBondContact O-N 3.4Å; L18-A22 PolarHBondContact O-N 3.36Å |
| 19 | L | 46.6 | Very low | 42.2 | Very low | 126 Ų | 126 | 109.2 Ų | 109.2 | 66% | 0.66 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.3 | -47.3 | 179.4 | -151.4 | 74.1 | 0 | 0 | 0 | 113.8 | L21 I23 | L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å; L19-I23 WeakPolarHBondContact O-CD1 3.33Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.49Å |
| 20 | P | 45.4 | Very low | 42.5 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 53% | 0.526 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70.2 | -24.8 | 176.5 | 28.3 | -35.3 | 0 | 0 | 0 | 113 | A24 | P20-A24 WeakPolarHBondContact O-CB 3.46Å; P20-A24 PolarHBondContact O-N 3.22Å |
| 21 | L | 43.4 | Very low | 42.9 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77.5 | -38.1 | -179 | -125.2 | 157.3 | 0 | 0 | 0 | 112 | L18 L19 I23 A24 I25 | L18-L21 PolarHBondContact O-N 3.4Å; L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-A24 PolarHBondContact O-N 3.11Å; L21-I25 HydrophobicContact CD2-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.15Å; L21-I25 VanDerWaalsContact O-N 3.15Å |
| 22 | A | 45 | Very low | 43.2 | Very low | 69 Ų | 69 | 112.6 Ų | 112.6 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.1 | -37.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L18 G26 | L18-A22 PolarHBondContact O-N 3.36Å; A22-G26 PolarHBondContact O-N 3.27Å; A22-G26 VanDerWaalsContact O-N 3.11Å |
| 23 | I | 46.5 | Very low | 43.3 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 53% | 0.533 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.8 | -43 | 175 | -66.5 | 167.8 | 0 | 0 | 0 | 110.8 | L19 L21 I25 G26 V27 | L19-I23 WeakPolarHBondContact O-CD1 3.33Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.49Å; L21-I23 VanDerWaalsContact C-N 3.34Å; I23-I25 PolarHBondContact O-N 2.9Å; I23-G26 PolarHBondContact O-N 3.05Å; I23-V27 HydrophobicContact CG2-CG2 4.12Å; I23-V27 WeakPolarHBondContact O-CB 3.41Å; I23-V27 VanDerWaalsContact O-CG2 3.29Å; I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.32Å |
| 24 | A | 44.3 | Very low | 43.1 | Very low | 47 Ų | 47 | 114.7 Ų | 114.7 | 39% | 0.388 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61 | -42.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P20 L21 V27 L28 | P20-A24 WeakPolarHBondContact O-CB 3.46Å; P20-A24 PolarHBondContact O-N 3.22Å; L21-A24 PolarHBondContact O-N 3.11Å; A24-V27 PolarHBondContact O-N 3.44Å; A24-L28 WeakPolarHBondContact O-CD1 3.47Å; A24-L28 PolarHBondContact O-N 3.15Å; A24-L28 VanDerWaalsContact O-N 3.1Å |
| 25 | I | 48.3 | Very low | 43 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.5 | -35.9 | 177 | -63.5 | 168.7 | 0 | 0 | 0 | 111.1 | L21 I23 | L21-I25 HydrophobicContact CD2-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.15Å; L21-I25 VanDerWaalsContact O-N 3.15Å; I23-I25 PolarHBondContact O-N 2.9Å |
| 26 | G | 42.8 | Very low | 42.6 | Very low | 41 Ų | 41 | 117.2 Ų | 117.2 | 42% | 0.423 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.3 | -33.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A22 I23 | A22-G26 PolarHBondContact O-N 3.27Å; A22-G26 VanDerWaalsContact O-N 3.11Å; I23-G26 PolarHBondContact O-N 3.05Å |
| 27 | V | 49.1 | Very low | 41.9 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -85.2 | -33.8 | -176.7 | 172.2 | 0 | 0 | 0 | 0 | 112.7 | I23 A24 H29 | I23-V27 HydrophobicContact CG2-CG2 4.12Å; I23-V27 WeakPolarHBondContact O-CB 3.41Å; I23-V27 VanDerWaalsContact O-CG2 3.29Å; I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.32Å; A24-V27 PolarHBondContact O-N 3.44Å; V27-H29 PolarHBondContact O-N 3.05Å |
| 28 | L | 41.9 | Very low | 40.9 | Very low | 143 Ų | 143 | 115.2 Ų | 115.2 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74 | -18.2 | -179.4 | -96.2 | 91.8 | 0 | 0 | 0 | 115.3 | A24 | A24-L28 WeakPolarHBondContact O-CD1 3.47Å; A24-L28 PolarHBondContact O-N 3.15Å; A24-L28 VanDerWaalsContact O-N 3.1Å |
| 29 | H | 42.5 | Very low | 40.2 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 10.4 | 178.2 | -97.3 | -71.4 | 0 | 0 | 0 | 114.8 | V27 P31 | V27-H29 PolarHBondContact O-N 3.05Å; H29-P31 WeakPolarHBondContact O-CD 3.32Å |
| 30 | L | 36.1 | Very low | 39.3 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | trans | -87 | 8.9 | -176.1 | -130.6 | 80.3 | 0 | 0 | 0 | 119.4 | Q32 | L30-Q32 PolarHBondContact O-N 3.1Š| ||
| 31 | P | 39.4 | Very low | 38.7 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -94.4 | 24.3 | 178.9 | 38.9 | -35.9 | 0 | 0 | 0 | 114.7 | H29 | H29-P31 WeakPolarHBondContact O-CD 3.32Š|
| 32 | Q | 43.1 | Very low | 38 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -121.5 | -3.4 | -179.5 | -71 | -161.9 | -15.9 | 0 | 0 | 116.7 | L30 | L30-Q32 PolarHBondContact O-N 3.1Š|
| 33 | F | 35.9 | Very low | 37.5 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | trans | -136.4 | 60.1 | 178.8 | -66.3 | -75.7 | 0 | 0 | 0 | 113 | ||||
| 34 | L | 34.5 | Very low | 36.9 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -99.6 | 97.7 | 163.9 | -92.2 | 157.6 | 0 | 0 | 0 | 109.4 | ||||
| 35 | C | 33 | Very low | 36.3 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -109.6 | 115.7 | 163.5 | -74.6 | 0 | 0 | 0 | 0 | 108.4 | A37 | C35-A37 PolarHBondContact O-N 3.39Å; C35-A37 VanDerWaalsContact O-N 3.15Å | ||
| 36 | H | 35.4 | Very low | 35.6 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -66.8 | 109.8 | 174 | -79.1 | -87 | 0 | 0 | 0 | 110.4 | ||||
| 37 | A | 31.8 | Very low | 34.9 | Very low | 83 Ų | 83 | 148.3 Ų | 148.3 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | -92.4 | 92.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | C35 W39 | C35-A37 PolarHBondContact O-N 3.39Å; C35-A37 VanDerWaalsContact O-N 3.15Å; A37-W39 PolarHBondContact O-N 3.23Å | ||
| 38 | A | 29 | Very low | 34.1 | Very low | 88 Ų | 88 | 150.2 Ų | 150.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -77.4 | 106.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T40 | A38-T40 PolarHBondContact O-N 3.34Š| ||
| 39 | W | 29.6 | Very low | 33.7 | Very low | 244 Ų | 244 | 149.9 Ų | 149.9 | 92% | 0.924 | 79% | 0.789 | S | S | * | * | trans | -80.5 | 102.1 | 170.6 | -72.5 | -20.2 | 0 | 0 | 0 | 110.3 | A37 T41 | A37-W39 PolarHBondContact O-N 3.23Å; W39-T41 PolarHBondContact O-N 3.31Å | ||
| 40 | T | 27.7 | Very low | 33 | Very low | 132 Ų | 132 | 150 Ų | 150 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -84.9 | 96.2 | 166.5 | 57.1 | 0 | 0 | 0 | 0 | 109.4 | A38 R42 | A38-T40 PolarHBondContact O-N 3.34Å; T40-R42 PolarHBondContact O-N 3.02Å | ||
| 41 | T | 33.9 | Very low | 32.7 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -65.5 | 127.1 | 163.3 | 40.2 | 0 | 0 | 0 | 0 | 109.2 | W39 | W39-T41 PolarHBondContact O-N 3.31Š| ||
| 42 | R | 28.9 | Very low | 32.3 | Very low | 244 Ų | 244 | 150.5 Ų | 150.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -125.1 | 115.2 | 165.4 | -112 | -173 | -171.2 | -170.1 | 3.3 | 109.9 | T40 | T40-R42 PolarHBondContact O-N 3.02Š| ||
| 43 | T | 34.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 149 Ų | 149 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 142.4 | 166.9 | 43.9 | 0 | 0 | 0 | 0 | 110.2 | E45 | T43-E45 PolarHBondContact O-N 2.83Š|
| 44 | P | 33.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 116.4 | 165.7 | 30.9 | -29.5 | 0 | 0 | 0 | 109.3 | ||
| 45 | E | 31.7 | Very low | 31.2 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74 | 137.4 | 167.5 | -78.2 | -176.7 | 132.8 | 0 | 0 | 110.5 | T43 | T43-E45 PolarHBondContact O-N 2.83Š|
| 46 | S | 33.5 | Very low | 30.9 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 126.2 | 172.7 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 47 | F | 28.4 | Very low | 30.6 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | trans | -134.3 | 139.6 | 152.5 | -99.9 | -84 | 0 | 0 | 0 | 110.4 | ||||
| 48 | I | 32.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | -115.9 | 142.9 | -170 | -76.6 | 174.7 | 0 | 0 | 0 | 108.8 | ||||
| 49 | N | 32.2 | Very low | 30.6 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 62.6 | 120.1 | 169.9 | -65 | -6.7 | 0 | 0 | 0 | 117.4 | ||||
| 50 | D | 27.8 | Very low | 30.6 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -145.3 | 161.3 | 88.2 | -133.8 | -24.4 | 0 | 0 | 0 | 113.5 | |||||
| 51 | T | 30.8 | Very low | 31.3 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -107.1 | 111.8 | -160.1 | -52.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 52 | T | 30.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -151.9 | 135.8 | 154.7 | -32.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 53 | T | 31.2 | Very low | 32.7 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 120.9 | -169.5 | -46.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 54 | T | 29.9 | Very low | 34.3 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -152.7 | 136.1 | 148.2 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | T56 | T54-T56 PolarHBondContact O-N 3.15Š| ||
| 55 | T | 29.5 | Very low | 36.5 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -66.4 | 120.2 | -166.9 | -40.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 56 | T | 26.9 | Very low | 39.1 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -75.8 | 122.6 | 171.1 | 30.9 | 0 | 0 | 0 | 0 | 112.1 | T54 | T54-T56 PolarHBondContact O-N 3.15Š| ||
| 57 | T | 29 | Very low | 41.8 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -110.7 | 105.1 | 144.7 | 3.6 | 0 | 0 | 0 | 0 | 108.1 | T59 | T57-T59 PolarHBondContact O-N 3.33Š| ||
| 58 | T | 29.2 | Very low | 44.9 | Very low | 120 Ų | 120 | 116.4 Ų | 116.4 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | trans | -64.6 | 98.9 | -178.1 | -13 | 0 | 0 | 0 | 0 | 110 | T60 | T58-T60 PolarHBondContact O-N 3.46Š| ||
| 59 | T | 30.3 | Very low | 47.8 | Very low | 132 Ų | 132 | 115.2 Ų | 115.2 | 81% | 0.81 | 67% | 0.667 | S | S | * | * | trans | -72.3 | 81.8 | 163.6 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | T57 T61 | T57-T59 PolarHBondContact O-N 3.33Å; T59-T61 PolarHBondContact O-N 2.83Å | ||
| 60 | T | 31 | Very low | 50.6 | Low | 100 Ų | 100 | 110.4 Ų | 110.4 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | trans | -57.4 | 112.9 | 159.3 | 50.4 | 0 | 0 | 0 | 0 | 106.9 | T58 T62 | T58-T60 PolarHBondContact O-N 3.46Å; T60-T62 PolarHBondContact O-N 3.45Å; T60-T62 PolarHBondContact O-OG1 3.49Å | ||
| 61 | T | 41 | Very low | 53.7 | Low | 132 Ų | 132 | 106 Ų | 106 | 81% | 0.81 | 62% | 0.621 | S | S | * | * | trans | -72.4 | 62.2 | 166.9 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | T59 T63 | T59-T61 PolarHBondContact O-N 2.83Å; T61-T63 PolarHBondContact O-N 3.25Å | ||
| 62 | T | 41.2 | Very low | 56.8 | Low | 107 Ų | 107 | 107.3 Ų | 107.3 | 66% | 0.656 | 62% | 0.619 | S | S | * | * | trans | -51.5 | 122.5 | 154.4 | 34.4 | 0 | 0 | 0 | 0 | 106.1 | T60 K64 | T60-T62 PolarHBondContact O-N 3.45Å; T60-T62 PolarHBondContact O-OG1 3.49Å; T62-K64 PolarHBondContact O-N 3.44Å | ||
| 63 | T | 51.1 | Low | 59.9 | Low | 120 Ų | 120 | 102.5 Ų | 102.5 | 74% | 0.736 | 59% | 0.59 | S | S | * | * | trans | -72 | 66.6 | 177.7 | 36.9 | 0 | 0 | 0 | 0 | 109.2 | T61 T65 | T61-T63 PolarHBondContact O-N 3.25Å; T63-T65 PolarHBondContact O-N 3Å | ||
| 64 | K | 67.8 | Low | 62.9 | Low | 108 Ų | 108 | 101.3 Ų | 101.3 | 47% | 0.47 | 58% | 0.579 | S | S | . | * | trans | -48.5 | 105.5 | -175.8 | -173.3 | 174.2 | -173 | 173.6 | 0 | 109.1 | T62 R88 | T62-K64 PolarHBondContact O-N 3.44Å; K64-R88 PolarHBondContact O-NE 3.35Å; K64-R88 PolarHBondContact O-NH2 3.45Å | ||
| 65 | T | 80.8 | Confident | 65.8 | Low | 88 Ų | 88 | 95.6 Ų | 95.6 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | trans | -61.8 | 157.8 | -171.1 | 48.4 | 0 | 0 | 0 | 0 | 110.3 | T63 Q67 S87 | T63-T65 PolarHBondContact O-N 3Å; T65-Q67 PolarHBondContact O-N 3.06Å; T65-Q67 VanDerWaalsContact O-N 3.14Å; T65-S87 PolarHBondContact O-OG 3.09Å | ||
| 66 | M | 86.2 | Confident | 68.7 | Low | 56 Ų | 56 | 91.8 Ų | 91.8 | 28% | 0.276 | 52% | 0.522 | S | S | . | . | trans | -56.4 | 121.6 | 173.2 | -74 | -65 | -170.9 | 0 | 0 | 108.9 | R88 P89 K144 I154 | M66-R88 HydrophobicContact CE-CB 3.83Å; M66-R88 HydrophobicContact CE-CG 4.5Å; M66-R88 HydrophobicContact SD-CB 3.76Å; M66-R88 HydrophobicContact SD-CG 4.18Å; M66-P89 WeakPolarHBondContact CE-O 3.44Å; M66-K144 HydrophobicContact CB-CD 4.36Å; M66-I154 WeakPolarHBondContact O-CD1 3.36Å | ||
| 67 | Q | 90.6 | Very high | 71.3 | Confident | 95 Ų | 95 | 91.9 Ų | 91.9 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | trans | -141.8 | 149 | -176.5 | -74.2 | 176 | -10.4 | 0 | 0 | 109.2 | T65 L86 S87 | T65-Q67 PolarHBondContact O-N 3.06Å; T65-Q67 VanDerWaalsContact O-N 3.14Å; Q67-L86 WeakPolarHBondContact O-CA 3.4Å; Q67-S87 PolarHBondContact N-OG 3.29Å; Q67-S87 PolarHBondContact O-N 3.39Å; Q67-S87 PolarHBondContact O-OG 3.1Å | ||
| 68 | I | 92.6 | Very high | 73.8 | Confident | 47 Ų | 47 | 91.6 Ų | 91.6 | 24% | 0.241 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.6 | 169 | -55.2 | 169.9 | 0 | 0 | 0 | 106.8 | A70 M71 L84 L86 L142 I154 | I68-A70 WeakPolarHBondContact CG2-O 3.43Å; I68-M71 HydrophobicContact CG2-CB 4.3Å; I68-L84 HydrophobicContact CD1-CD2 4.07Å; I68-L84 HydrophobicContact CG1-CD2 4.43Å; I68-L84 HydrophobicContact CG2-CD2 4.48Å; I68-L86 HydrophobicContact CB-CD2 4.34Å; I68-L86 HydrophobicContact CG1-CD2 3.8Å; I68-L142 HydrophobicContact CG1-CD2 4.17Å; I68-I154 HydrophobicContact CD1-CG2 4Å |
| 69 | Q | 93.4 | Very high | 76.7 | Confident | 114 Ų | 114 | 89 Ų | 89 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -42.9 | 178.1 | -67.9 | -170.4 | -12.2 | 0 | 0 | 111.6 | E85 | Q69-E85 PolarHBondContact N-O 3.06Å |
| 70 | A | 92.6 | Very high | 79.7 | Confident | 36 Ų | 36 | 82.8 Ų | 82.8 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | I68 E85 | I68-A70 WeakPolarHBondContact CG2-O 3.43Å; A70-E85 HydrophobicContact CB-CB 4.22Å; A70-E85 PolarHBondContact N-O 2.94Å; A70-E85 PolarHBondContact O-N 2.85Å |
| 71 | M | 92.8 | Very high | 82.8 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 34% | 0.335 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 106.3 | 175 | -176.6 | 170.4 | 71.6 | 0 | 0 | 107.8 | I68 V73 L84 V158 | I68-M71 HydrophobicContact CG2-CB 4.3Å; M71-V73 HydrophobicContact CG-CG2 4.1Å; M71-L84 HydrophobicContact CG-CD1 4.19Å; M71-L84 HydrophobicContact CG-CG 4.13Å; M71-V158 HydrophobicContact CE-CB 4.48Å; M71-V158 HydrophobicContact CE-CG1 4.25Å; M71-V158 HydrophobicContact CE-CG2 4.15Å; M71-V158 HydrophobicContact SD-CG1 4.41Å; M71-V158 HydrophobicContact SD-CG2 3.86Å |
| 72 | Q | 95.1 | Very high | 85.3 | Confident | 137 Ų | 137 | 74 Ų | 74 | 64% | 0.64 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 136.2 | 173.2 | -63.2 | 176.5 | 5.9 | 0 | 0 | 108.2 | M82 H83 | Q72-M82 CarbonylContact O-C 3.49Å; Q72-M82 WeakPolarHBondContact O-CA 3.4Å; Q72-H83 HydrophobicContact CB-CB 4.37Å; Q72-H83 PolarHBondContact N-O 3.36Å; Q72-H83 PolarHBondContact O-N 3.47Å |
| 73 | V | 95 | Very high | 87.9 | Confident | 42 Ų | 42 | 73 Ų | 73 | 26% | 0.255 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.9 | -175.9 | -166.4 | 0 | 0 | 0 | 0 | 107.9 | M71 L80 E81 V158 C160 | M71-V73 HydrophobicContact CG-CG2 4.1Å; V73-L80 HydrophobicContact CG1-CD1 4.44Å; V73-L80 HydrophobicContact CG1-CD2 3.76Å; V73-L80 HydrophobicContact CG1-CG 4.01Å; V73-E81 WeakPolarHBondContact CA-O 3.37Å; V73-V158 HydrophobicContact CB-CG1 4.26Å; V73-V158 HydrophobicContact CG1-CG1 3.82Å; V73-V158 HydrophobicContact CG2-CG1 3.42Å; V73-V158 VanDerWaalsContact CG2-CG1 3.42Å; V73-C160 HydrophobicContact CG1-CB 3.77Å |
| 74 | N | 94.3 | Very high | 90 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.8 | 173.7 | -172.8 | 13.1 | 0 | 0 | 0 | 108 | E81 | N74-E81 PolarHBondContact N-O 2.99Å; N74-E81 PolarHBondContact O-N 3.02Å |
| 75 | C | 92.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 65 Ų | 65 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.8 | 176.6 | 46.7 | 0 | 0 | 0 | 0 | 110.5 | L80 Y136 C160 L162 | C75-L80 HydrophobicContact CB-CD1 4.44Å; C75-L80 HydrophobicContact CB-CG 4.36Å; C75-Y136 HydrophobicContact CB-CD2 3.93Å; C75-Y136 HydrophobicContact CB-CE2 4.45Å; C75-C160 HydrophobicContact CB-CB 3.73Å; C75-C160 WeakPolarHBondContact CB-SG 3.04Å; C75-C160 PolarHBondContact N-SG 3.08Å; C75-C160 VanDerWaalsContact SG-C 3.56Å; C75-C160 WeakPolarHBondContact SG-CB 3.35Å; C75-C160 CovalentContact SG-SG 2.04Å; C75-C160 PolarHBondContact SG-SG 3.14Å; C75-L162 WeakPolarHBondContact O-CD1 2.97Å |
| 76 | S | 89.3 | Confident | 92 | Very high | 52 Ų | 52 | 61 Ų | 61 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | trans | -110.7 | -176.7 | 167.8 | 67 | 0 | 0 | 0 | 0 | 109 | E78 L79 | S76-E78 PolarHBondContact O-N 3.33Å; S76-E78 PolarHBondContact OG-N 3.5Å; S76-L79 PolarHBondContact N-O 3.27Å; S76-L79 PolarHBondContact OG-N 2.94Å; S76-L79 PolarHBondContact OG-O 3.47Å | ||
| 77 | R | 81.3 | Confident | 92.3 | Very high | 124 Ų | 124 | 59.4 Ų | 59.4 | 47% | 0.468 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -59.6 | -33.7 | 172 | -177.8 | -178.4 | 178.1 | -156.7 | 2.7 | 113.3 | T119 | R77-T119 PolarHBondContact O-OG1 3.37Š|
| 78 | E | 83.1 | Confident | 92.4 | Very high | 130 Ų | 130 | 60.1 Ų | 60.1 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -114 | -29.6 | -166.2 | -67.2 | 173.8 | -168.4 | 0 | 0 | 113.6 | S76 P118 T119 | S76-E78 PolarHBondContact O-N 3.33Å; S76-E78 PolarHBondContact OG-N 3.5Å; E78-P118 WeakPolarHBondContact O-CA 3.44Å; E78-T119 VanDerWaalsContact C-OG1 3.29Å; E78-T119 VanDerWaalsContact CA-OG1 3.32Å; E78-T119 WeakPolarHBondContact CA-OG1 3.48Å; E78-T119 PolarHBondContact O-N 3.01Å; E78-T119 PolarHBondContact O-OG1 3.48Å |
| 79 | L | 90.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.6 | 179.8 | -67 | 102.8 | 0 | 0 | 0 | 112.6 | S76 R116 | S76-L79 PolarHBondContact N-O 3.27Å; S76-L79 PolarHBondContact OG-N 2.94Å; S76-L79 PolarHBondContact OG-O 3.47Å; L79-R116 HydrophobicContact CD2-CB 4.38Å |
| 80 | L | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 111.3 | 165.2 | -171.1 | 152.9 | 0 | 0 | 0 | 108 | V73 C75 M82 I117 V138 C160 | V73-L80 HydrophobicContact CG1-CD1 4.44Å; V73-L80 HydrophobicContact CG1-CD2 3.76Å; V73-L80 HydrophobicContact CG1-CG 4.01Å; C75-L80 HydrophobicContact CB-CD1 4.44Å; C75-L80 HydrophobicContact CB-CG 4.36Å; L80-M82 HydrophobicContact CD2-CE 3.48Å; L80-M82 VanDerWaalsContact CD2-CE 3.48Å; L80-I117 PolarHBondContact N-O 3.29Å; L80-I117 PolarHBondContact O-N 2.89Å; L80-V138 HydrophobicContact CD1-CG1 4.31Å; L80-V138 HydrophobicContact CD2-CG1 4.33Å; L80-C160 HydrophobicContact CD1-CB 4.14Å |
| 81 | E | 94.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131 | 174.7 | -61.6 | -161.1 | 130.4 | 0 | 0 | 109.4 | V73 N74 H114 R116 | V73-E81 WeakPolarHBondContact CA-O 3.37Å; N74-E81 PolarHBondContact N-O 2.99Å; N74-E81 PolarHBondContact O-N 3.02Å; E81-H114 IonicContact OE1-CE1 2.69Å; E81-H114 IonicContact OE1-NE2 3.9Å; E81-R116 HydrophobicContact CG-CG 4.33Å; E81-R116 IonicContact OE1-CZ 2.74Å; E81-R116 IonicContact OE1-NE 3.12Å; E81-R116 PolarHBondContact OE1-NE 2.9Å; E81-R116 IonicContact OE1-NH2 2.82Å; E81-R116 PolarHBondContact OE1-NH2 3.18Å |
| 82 | M | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.3 | 174.9 | 65.6 | -175.2 | 70.3 | 0 | 0 | 111.4 | Q72 L80 L84 L94 H114 L115 I117 V138 V140 V158 | Q72-M82 CarbonylContact O-C 3.49Å; Q72-M82 WeakPolarHBondContact O-CA 3.4Å; L80-M82 HydrophobicContact CD2-CE 3.48Å; L80-M82 VanDerWaalsContact CD2-CE 3.48Å; M82-L84 HydrophobicContact CB-CD1 3.91Å; M82-L84 HydrophobicContact CG-CD1 3.65Å; M82-L84 HydrophobicContact SD-CD1 3.92Å; M82-L94 HydrophobicContact SD-CD2 4.47Å; M82-H114 VanDerWaalsContact O-CA 3.32Å; M82-H114 WeakPolarHBondContact O-CA 3.3Å; M82-H114 PolarHBondContact O-CD2 3.29Å; M82-L115 HydrophobicContact CE-CD2 4.4Å; M82-L115 HydrophobicContact CG-CB 3.74Å; M82-L115 HydrophobicContact CG-CG 4.46Å; M82-L115 WeakPolarHBondContact CG-O 3.43Å; M82-L115 PolarHBondContact N-O 2.91Å; M82-L115 PolarHBondContact O-N 2.72Å; M82-L115 HydrophobicContact SD-CB 4.05Å; M82-L115 HydrophobicContact SD-CD2 3.97Å; M82-L115 HydrophobicContact SD-CG 4.31Å; M82-I117 HydrophobicContact CE-CD1 3.41Å; M82-I117 VanDerWaalsContact CE-CD1 3.41Å; M82-I117 HydrophobicContact CE-CG1 4.09Å; M82-V138 HydrophobicContact CE-CG1 4.3Å; M82-V140 HydrophobicContact CE-CG1 3.82Å; M82-V140 HydrophobicContact SD-CG1 3.91Å; M82-V140 HydrophobicContact SD-CG2 4.46Å; M82-V158 HydrophobicContact CE-CG2 4.27Å; M82-V158 HydrophobicContact SD-CG2 4.46Å |
| 83 | H | 95.8 | Very high | 92.4 | Very high | 86 Ų | 86 | 54 Ų | 54 | 40% | 0.398 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.4 | 174.6 | -57.4 | -92.9 | 0 | 0 | 0 | 108.4 | Q72 H114 | Q72-H83 HydrophobicContact CB-CB 4.37Å; Q72-H83 PolarHBondContact N-O 3.36Å; Q72-H83 PolarHBondContact O-N 3.47Å; H83-H114 AromaticContact CE1-CD2 3.26Å; H83-H114 PolarHBondContact CE1-CD2 2.89Å; H83-H114 AromaticContact CE1-NE2 3.65Å; H83-H114 AromaticContact CG-CD2 3.9Å; H83-H114 AromaticContact ND1-CD2 3.4Å; H83-H114 PolarHBondContact ND1-CD2 3.46Å; H83-H114 AromaticContact NE2-CD2 3.69Å; H83-H114 AromaticContact NE2-NE2 3.84Å |
| 84 | L | 94.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.9 | 178.1 | -76.6 | 73.9 | 0 | 0 | 0 | 109.4 | I68 M71 M82 L94 R112 L113 | I68-L84 HydrophobicContact CD1-CD2 4.07Å; I68-L84 HydrophobicContact CG1-CD2 4.43Å; I68-L84 HydrophobicContact CG2-CD2 4.48Å; M71-L84 HydrophobicContact CG-CD1 4.19Å; M71-L84 HydrophobicContact CG-CG 4.13Å; M82-L84 HydrophobicContact CB-CD1 3.91Å; M82-L84 HydrophobicContact CG-CD1 3.65Å; M82-L84 HydrophobicContact SD-CD1 3.92Å; L84-L94 HydrophobicContact CD1-CD2 3.92Å; L84-L94 HydrophobicContact CD2-CD1 4.08Å; L84-L94 HydrophobicContact CD2-CD2 3.95Å; L84-L94 HydrophobicContact CG-CD2 4.46Å; L84-R112 WeakPolarHBondContact O-CA 3.44Å; L84-L113 PolarHBondContact N-O 3.45Å; L84-L113 PolarHBondContact O-N 2.93Å |
| 85 | E | 95.4 | Very high | 92.5 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 28% | 0.276 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.5 | 169.8 | -166.8 | 156 | -128.4 | 0 | 0 | 109.1 | Q69 A70 R112 | Q69-E85 PolarHBondContact N-O 3.06Å; A70-E85 HydrophobicContact CB-CB 4.22Å; A70-E85 PolarHBondContact N-O 2.94Å; A70-E85 PolarHBondContact O-N 2.85Å; E85-R112 HydrophobicContact CG-CG 4.29Å; E85-R112 IonicContact OE1-CZ 2.71Å; E85-R112 VanDerWaalsContact OE1-CZ 3.31Å; E85-R112 IonicContact OE1-NE 3.89Å; E85-R112 PolarHBondContact OE1-NE 3.34Å; E85-R112 IonicContact OE1-NH2 2.67Å; E85-R112 PolarHBondContact OE1-NH2 3.27Å |
| 86 | L | 94.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 152.9 | -170 | -58.6 | 174.4 | 0 | 0 | 0 | 111 | Q67 I68 R88 F90 T111 L142 | Q67-L86 WeakPolarHBondContact O-CA 3.4Å; I68-L86 HydrophobicContact CB-CD2 4.34Å; I68-L86 HydrophobicContact CG1-CD2 3.8Å; L86-R88 PolarHBondContact O-N 3.35Å; L86-R88 VanDerWaalsContact O-N 3.1Å; L86-F90 HydrophobicContact CD1-CB 3.38Å; L86-F90 HydrophobicContact CD1-CD1 3.92Å; L86-F90 HydrophobicContact CD1-CD2 3.92Å; L86-F90 HydrophobicContact CD1-CG 3.49Å; L86-F90 VanDerWaalsContact CD1-CG 3.49Å; L86-T111 WeakPolarHBondContact CB-O 3.24Å; L86-T111 PolarHBondContact N-O 2.91Å; L86-L142 HydrophobicContact CD1-CD1 4.29Å; L86-L142 HydrophobicContact CD1-CD2 4.43Å; L86-L142 HydrophobicContact CD2-CD2 3.7Å |
| 87 | S | 94.1 | Very high | 92.6 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | -15.3 | -174.9 | 64 | 0 | 0 | 0 | 0 | 115.9 | T65 Q67 | T65-S87 PolarHBondContact O-OG 3.09Å; Q67-S87 PolarHBondContact N-OG 3.29Å; Q67-S87 PolarHBondContact O-N 3.39Å; Q67-S87 PolarHBondContact O-OG 3.1Å |
| 88 | R | 92.8 | Very high | 92.8 | Very high | 109 Ų | 109 | 45.6 Ų | 45.6 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 163.8 | -179.4 | -54.5 | -179.9 | -178.7 | -133.5 | -3 | 109.4 | K64 M66 L86 F90 | K64-R88 PolarHBondContact O-NE 3.35Å; K64-R88 PolarHBondContact O-NH2 3.45Å; M66-R88 HydrophobicContact CE-CB 3.83Å; M66-R88 HydrophobicContact CE-CG 4.5Å; M66-R88 HydrophobicContact SD-CB 3.76Å; M66-R88 HydrophobicContact SD-CG 4.18Å; L86-R88 PolarHBondContact O-N 3.35Å; L86-R88 VanDerWaalsContact O-N 3.1Å; R88-F90 PolarHBondContact O-N 3.14Å |
| 89 | P | 93.9 | Very high | 93.1 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 53% | 0.526 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 132.7 | 169.4 | -29.6 | 37.8 | 0 | 0 | 0 | 112.6 | M66 | M66-P89 WeakPolarHBondContact CE-O 3.44Å |
| 90 | F | 93.6 | Very high | 93 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.4 | -173.5 | -179.7 | -99 | 0 | 0 | 0 | 112.3 | L86 R88 G107 K108 D109 S110 L113 L142 Q143 | L86-F90 HydrophobicContact CD1-CB 3.38Å; L86-F90 HydrophobicContact CD1-CD1 3.92Å; L86-F90 HydrophobicContact CD1-CD2 3.92Å; L86-F90 HydrophobicContact CD1-CG 3.49Å; L86-F90 VanDerWaalsContact CD1-CG 3.49Å; R88-F90 PolarHBondContact O-N 3.14Å; F90-G107 CarbonylContact O-C 3.53Å; F90-G107 VanDerWaalsContact O-C 3.31Å; F90-G107 WeakPolarHBondContact O-CA 3.3Å; F90-K108 PolarHBondContact O-N 3.47Å; F90-D109 PolarHBondContact O-N 3.33Å; F90-D109 VanDerWaalsContact O-N 3.1Å; F90-S110 PolarHBondContact N-O 3.48Å; F90-L113 HydrophobicContact CD1-CD2 3.78Å; F90-L113 HydrophobicContact CE1-CD2 3.68Å; F90-L142 HydrophobicContact CD1-CD1 4.39Å; F90-L142 HydrophobicContact CD2-CD1 4.47Å; F90-L142 HydrophobicContact CE1-CD1 3.67Å; F90-L142 HydrophobicContact CE2-CD1 3.76Å; F90-L142 HydrophobicContact CE2-CD2 4.31Å; F90-L142 HydrophobicContact CE2-CG 3.84Å; F90-L142 HydrophobicContact CZ-CD1 3.3Å; F90-L142 HydrophobicContact CZ-CG 3.76Å; F90-Q143 WeakPolarHBondContact CZ-O 3.22Å |
| 91 | R | 92.7 | Very high | 92.6 | Very high | 157 Ų | 157 | 44.6 Ų | 44.6 | 59% | 0.592 | 21% | 0.214 | S | C | * | . | trans | -116.6 | 1.9 | 178.3 | -148.1 | -179 | 171.6 | 125.1 | -12.4 | 113.4 | D109 Q146 | R91-D109 VanDerWaalsContact CB-OD1 3.29Å; R91-D109 WeakPolarHBondContact CB-OD1 3.45Å; R91-D109 VanDerWaalsContact CD-OD1 3.23Å; R91-D109 WeakPolarHBondContact CD-OD1 3.41Å; R91-D109 WeakPolarHBondContact CG-OD1 3.34Å; R91-D109 IonicContact CZ-OD2 3.51Å; R91-D109 IonicContact NE-OD2 3.65Å; R91-D109 IonicContact NH1-OD1 2.65Å; R91-D109 IonicContact NH1-OD2 3.47Å; R91-D109 PolarHBondContact NH1-OD2 2.67Å; R91-Q146 VanDerWaalsContact O-CD 3.28Å; R91-Q146 WeakPolarHBondContact O-CG 3.45Å; R91-Q146 PolarHBondContact O-NE2 2.67Å | ||
| 92 | G | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -76.5 | -150.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G107 Q143 K144 | G92-G107 PolarHBondContact O-N 3.34Å; G92-Q143 WeakPolarHBondContact CA-O 3.28Å; G92-K144 VanDerWaalsContact CA-O 3.24Å; G92-K144 WeakPolarHBondContact CA-O 3.42Å |
| 93 | L | 93.6 | Very high | 92 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.9 | 176.4 | -70.7 | 165.7 | 0 | 0 | 0 | 110.3 | Y95 R106 L142 Q143 Q146 | L93-Y95 HydrophobicContact CB-CD1 4.32Å; L93-R106 HydrophobicContact CD2-CB 4.12Å; L93-R106 HydrophobicContact CD2-CG 4.1Å; L93-L142 CarbonylContact O-C 3.31Å; L93-Q143 HydrophobicContact CB-CB 4.45Å; L93-Q143 PolarHBondContact N-O 3.49Å; L93-Q143 PolarHBondContact O-N 3.09Å; L93-Q146 WeakPolarHBondContact CD1-O 3.29Å |
| 94 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.8 | 165.5 | 174.5 | 68.4 | 0 | 0 | 0 | 107.4 | M82 L84 R104 A105 L113 L115 V140 M141 L142 | M82-L94 HydrophobicContact SD-CD2 4.47Å; L84-L94 HydrophobicContact CD1-CD2 3.92Å; L84-L94 HydrophobicContact CD2-CD1 4.08Å; L84-L94 HydrophobicContact CD2-CD2 3.95Å; L84-L94 HydrophobicContact CG-CD2 4.46Å; L94-R104 CarbonylContact O-C 3.57Å; L94-R104 WeakPolarHBondContact O-CA 3.32Å; L94-A105 PolarHBondContact N-O 3Å; L94-A105 PolarHBondContact O-N 3.43Å; L94-L113 HydrophobicContact CB-CD2 3.43Å; L94-L113 VanDerWaalsContact CB-CD2 3.43Å; L94-L113 HydrophobicContact CB-CG 4.31Å; L94-L113 HydrophobicContact CD2-CD2 3.85Å; L94-L113 HydrophobicContact CD2-CG 4.05Å; L94-L113 HydrophobicContact CG-CD2 4.27Å; L94-L115 HydrophobicContact CD2-CB 3.84Å; L94-L115 HydrophobicContact CD2-CD2 4.24Å; L94-L115 HydrophobicContact CG-CB 4.41Å; L94-L115 HydrophobicContact CG-CD2 3.97Å; L94-V140 HydrophobicContact CD1-CB 4.18Å; L94-V140 HydrophobicContact CD1-CG2 4.15Å; L94-M141 WeakPolarHBondContact CA-O 3.47Å; L94-L142 HydrophobicContact CB-CD1 4.05Å; L94-L142 HydrophobicContact CD1-CB 4.23Å; L94-L142 HydrophobicContact CD1-CD1 4.04Å |
| 95 | Y | 94.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158.3 | -178 | 63.1 | -84.8 | 0 | 0 | 0 | 112.2 | L93 K97 P100 C103 V140 M141 Q143 | L93-Y95 HydrophobicContact CB-CD1 4.32Å; Y95-K97 PolarHBondContact O-N 3.41Å; Y95-P100 VanDerWaalsContact CD2-CA 3.43Å; Y95-P100 HydrophobicContact CD2-CB 3.61Å; Y95-P100 HydrophobicContact CE2-CB 3.66Å; Y95-P100 HydrophobicContact CG-CB 4.18Å; Y95-C103 CarbonylContact C-O 3.47Å; Y95-C103 WeakPolarHBondContact CA-O 3.47Å; Y95-C103 WeakPolarHBondContact CB-O 3.32Å; Y95-V140 CarbonylContact O-C 3.06Å; Y95-V140 VanDerWaalsContact O-CA 3.3Å; Y95-V140 WeakPolarHBondContact O-CA 3.37Å; Y95-M141 HydrophobicContact CD1-CB 4.28Å; Y95-M141 HydrophobicContact CD2-CB 4.41Å; Y95-M141 HydrophobicContact CE1-CB 3.81Å; Y95-M141 HydrophobicContact CE1-CG 3.91Å; Y95-M141 HydrophobicContact CE2-CB 3.94Å; Y95-M141 PolarHBondContact N-O 3.05Å; Y95-M141 PolarHBondContact O-N 3.01Å; Y95-Q143 HydrophobicContact CE1-CB 3.95Å |
| 96 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 129.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | D98 F99 C103 I117 C122 V138 | A96-D98 PolarHBondContact O-N 3.5Å; A96-F99 HydrophobicContact CB-CB 4.32Å; A96-F99 CarbonylContact O-C 3.56Å; A96-F99 PolarHBondContact O-N 3.39Å; A96-C103 HydrophobicContact CB-CB 3.83Å; A96-C103 PolarHBondContact N-O 3.5Å; A96-I117 HydrophobicContact CB-CD1 4.13Å; A96-C122 HydrophobicContact CB-CB 3.99Å; A96-C122 WeakPolarHBondContact CB-O 3.36Å; A96-V138 HydrophobicContact CB-CG2 4.49Å |
| 97 | K | 89.7 | Confident | 91.7 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134.8 | -178.9 | -173.6 | -156.7 | 171.2 | -70.2 | 0 | 108.6 | Y95 F99 R139 L155 | Y95-K97 PolarHBondContact O-N 3.41Å; K97-F99 WeakPolarHBondContact O-CD2 3.42Å; K97-F99 PolarHBondContact O-N 2.88Å; K97-R139 HydrophobicContact CB-CB 3.78Å; K97-R139 WeakPolarHBondContact CB-O 3.36Å; K97-R139 HydrophobicContact CD-CB 4.05Å; K97-R139 PolarHBondContact N-O 3.01Å; K97-L155 HydrophobicContact CB-CD1 4.28Å; K97-L155 HydrophobicContact CD-CD1 4.2Å; K97-L155 HydrophobicContact CG-CD1 4.2Å |
| 98 | D | 86.6 | Confident | 91.6 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -21.4 | -176.1 | -45.7 | -43.4 | 0 | 0 | 0 | 115 | A96 P100 G259 | A96-D98 PolarHBondContact O-N 3.5Å; D98-P100 WeakPolarHBondContact O-CD 3.49Å; D98-G259 CarbonylContact C-O 3.59Å; D98-G259 CarbonylContact O-C 3.57Å |
| 99 | F | 89.5 | Confident | 91.6 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 62.1 | 179.6 | -56.8 | -96.5 | 0 | 0 | 0 | 113.9 | A96 K97 L101 C103 C122 G259 | A96-F99 HydrophobicContact CB-CB 4.32Å; A96-F99 CarbonylContact O-C 3.56Å; A96-F99 PolarHBondContact O-N 3.39Å; K97-F99 WeakPolarHBondContact O-CD2 3.42Å; K97-F99 PolarHBondContact O-N 2.88Å; F99-L101 VanDerWaalsContact C-N 3.29Å; F99-L101 PolarHBondContact O-N 2.98Å; F99-C103 PolarHBondContact O-N 2.94Å; F99-C122 HydrophobicContact CB-CB 4.36Å; F99-C122 HydrophobicContact CD2-CB 4.42Å; F99-C122 VanDerWaalsContact CE2-C 3.42Å; F99-C122 HydrophobicContact CG-CB 4.25Å; F99-G259 WeakPolarHBondContact CA-O 3.41Å; F99-G259 WeakPolarHBondContact CD1-O 3.32Å; F99-G259 WeakPolarHBondContact CE1-O 3.37Å; F99-G259 WeakPolarHBondContact CG-O 3.48Å |
| 100 | P | 87.1 | Confident | 91.5 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 24% | 0.24 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -9.7 | -174.7 | 32.7 | -37.7 | 0 | 0 | 0 | 115.3 | Y95 D98 R104 L260 | Y95-P100 VanDerWaalsContact CD2-CA 3.43Å; Y95-P100 HydrophobicContact CD2-CB 3.61Å; Y95-P100 HydrophobicContact CE2-CB 3.66Å; Y95-P100 HydrophobicContact CG-CB 4.18Å; D98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-R104 WeakPolarHBondContact O-CD 3.49Å; P100-L260 HydrophobicContact CG-CD2 3.76Å |
| 101 | L | 85.9 | Confident | 91.5 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 58% | 0.576 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -47.2 | -178 | -61.3 | -177.9 | 0 | 0 | 0 | 111.6 | F99 | F99-L101 VanDerWaalsContact C-N 3.29Å; F99-L101 PolarHBondContact O-N 2.98Å |
| 102 | E | 85.1 | Confident | 91.6 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -55.5 | -172.3 | -59.5 | 176.9 | 170.7 | 0 | 0 | 112.4 | R104 | E102-R104 PolarHBondContact O-N 3.38Å |
| 103 | C | 91.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 65.1 Ų | 65.1 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 78.6 | -175.7 | -80.6 | 0 | 0 | 0 | 0 | 112.1 | Y95 A96 F99 P118 C122 | Y95-C103 CarbonylContact C-O 3.47Å; Y95-C103 WeakPolarHBondContact CA-O 3.47Å; Y95-C103 WeakPolarHBondContact CB-O 3.32Å; A96-C103 HydrophobicContact CB-CB 3.83Å; A96-C103 PolarHBondContact N-O 3.5Å; F99-C103 PolarHBondContact O-N 2.94Å; C103-P118 VanDerWaalsContact SG-CD 3.58Å; C103-C122 HydrophobicContact CB-CB 3.52Å; C103-C122 WeakPolarHBondContact CB-SG 3.45Å; C103-C122 WeakPolarHBondContact SG-CB 3.35Å; C103-C122 CovalentContact SG-SG 2.02Å; C103-C122 PolarHBondContact SG-SG 3.46Å |
| 104 | R | 93.1 | Very high | 91.7 | Very high | 137 Ų | 137 | 66.4 Ų | 66.4 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.6 | -178.5 | 75.5 | -168.2 | -172.5 | -179.5 | -6.6 | 114.6 | L94 P100 E102 | L94-R104 CarbonylContact O-C 3.57Å; L94-R104 WeakPolarHBondContact O-CA 3.32Å; P100-R104 WeakPolarHBondContact O-CD 3.49Å; E102-R104 PolarHBondContact O-N 3.38Å |
| 105 | A | 94.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 12% | 0.116 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L94 L113 H114 L115 | L94-A105 PolarHBondContact N-O 3Å; L94-A105 PolarHBondContact O-N 3.43Å; A105-L113 HydrophobicContact CB-CD1 4.12Å; A105-H114 WeakPolarHBondContact CB-O 3.39Å; A105-L115 HydrophobicContact CB-CB 4.11Å; A105-L115 HydrophobicContact CB-CD1 4.08Å |
| 106 | R | 94.1 | Very high | 91.7 | Very high | 155 Ų | 155 | 72.6 Ų | 72.6 | 59% | 0.585 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132 | -179.7 | -169 | 178.4 | -174.8 | -178.2 | 1.9 | 110.3 | L93 | L93-R106 HydrophobicContact CD2-CB 4.12Å; L93-R106 HydrophobicContact CD2-CG 4.1Å |
| 107 | G | 91.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | trans | -61.5 | 137.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | F90 G92 | F90-G107 CarbonylContact O-C 3.53Å; F90-G107 VanDerWaalsContact O-C 3.31Å; F90-G107 WeakPolarHBondContact O-CA 3.3Å; G92-G107 PolarHBondContact O-N 3.34Å | ||
| 108 | K | 92 | Very high | 91.8 | Very high | 186 Ų | 186 | 72.6 Ų | 72.6 | 81% | 0.809 | 34% | 0.34 | S | S | * | . | trans | -120.5 | 45.2 | 179.6 | -63.2 | -175.7 | -179.9 | 179.9 | 0 | 111.3 | F90 S110 | F90-K108 PolarHBondContact O-N 3.47Å; K108-S110 PolarHBondContact O-N 2.99Å; K108-S110 VanDerWaalsContact O-N 3.14Å | ||
| 109 | D | 91.5 | Very high | 91.8 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 53.2 | 35.3 | -177.6 | -58.8 | -50.5 | 0 | 0 | 0 | 113.4 | F90 R91 | F90-D109 PolarHBondContact O-N 3.33Å; F90-D109 VanDerWaalsContact O-N 3.1Å; R91-D109 VanDerWaalsContact CB-OD1 3.29Å; R91-D109 WeakPolarHBondContact CB-OD1 3.45Å; R91-D109 VanDerWaalsContact CD-OD1 3.23Å; R91-D109 WeakPolarHBondContact CD-OD1 3.41Å; R91-D109 WeakPolarHBondContact CG-OD1 3.34Å; R91-D109 IonicContact CZ-OD2 3.51Å; R91-D109 IonicContact NE-OD2 3.65Å; R91-D109 IonicContact NH1-OD1 2.65Å; R91-D109 IonicContact NH1-OD2 3.47Å; R91-D109 PolarHBondContact NH1-OD2 2.67Å |
| 110 | S | 93 | Very high | 91.3 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 148.1 | 179.6 | 166.2 | 0 | 0 | 0 | 0 | 109.2 | F90 K108 R112 | F90-S110 PolarHBondContact N-O 3.48Å; K108-S110 PolarHBondContact O-N 2.99Å; K108-S110 VanDerWaalsContact O-N 3.14Å; S110-R112 VanDerWaalsContact C-N 3.27Å; S110-R112 WeakPolarHBondContact CB-O 3.33Å; S110-R112 PolarHBondContact OG-N 2.95Å; S110-R112 PolarHBondContact OG-O 3.2Å |
| 111 | T | 93 | Very high | 91 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -27.6 | 167.4 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | L86 | L86-T111 WeakPolarHBondContact CB-O 3.24Å; L86-T111 PolarHBondContact N-O 2.91Å |
| 112 | R | 94.6 | Very high | 91 | Very high | 172 Ų | 172 | 66 Ų | 66 | 65% | 0.649 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.9 | 179.6 | -65 | 179.4 | -179.9 | 171.8 | -0.6 | 111.2 | L84 E85 S110 | L84-R112 WeakPolarHBondContact O-CA 3.44Å; E85-R112 HydrophobicContact CG-CG 4.29Å; E85-R112 IonicContact OE1-CZ 2.71Å; E85-R112 VanDerWaalsContact OE1-CZ 3.31Å; E85-R112 IonicContact OE1-NE 3.89Å; E85-R112 PolarHBondContact OE1-NE 3.34Å; E85-R112 IonicContact OE1-NH2 2.67Å; E85-R112 PolarHBondContact OE1-NH2 3.27Å; S110-R112 VanDerWaalsContact C-N 3.27Å; S110-R112 WeakPolarHBondContact CB-O 3.33Å; S110-R112 PolarHBondContact OG-N 2.95Å; S110-R112 PolarHBondContact OG-O 3.2Å |
| 113 | L | 94.1 | Very high | 90.9 | Very high | 19 Ų | 19 | 61.7 Ų | 61.7 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146 | 177.9 | -172.5 | 57.2 | 0 | 0 | 0 | 109.7 | L84 F90 L94 A105 L142 | L84-L113 PolarHBondContact N-O 3.45Å; L84-L113 PolarHBondContact O-N 2.93Å; F90-L113 HydrophobicContact CD1-CD2 3.78Å; F90-L113 HydrophobicContact CE1-CD2 3.68Å; L94-L113 HydrophobicContact CB-CD2 3.43Å; L94-L113 VanDerWaalsContact CB-CD2 3.43Å; L94-L113 HydrophobicContact CB-CG 4.31Å; L94-L113 HydrophobicContact CD2-CD2 3.85Å; L94-L113 HydrophobicContact CD2-CG 4.05Å; L94-L113 HydrophobicContact CG-CD2 4.27Å; A105-L113 HydrophobicContact CB-CD1 4.12Å; L113-L142 HydrophobicContact CD2-CD1 4.17Å |
| 114 | H | 94.8 | Very high | 90.7 | Very high | 57 Ų | 57 | 62.5 Ų | 62.5 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.2 | -177.9 | 176.4 | -111.9 | 0 | 0 | 0 | 110.3 | E81 M82 H83 A105 R116 | E81-H114 IonicContact OE1-CE1 2.69Å; E81-H114 IonicContact OE1-NE2 3.9Å; M82-H114 VanDerWaalsContact O-CA 3.32Å; M82-H114 WeakPolarHBondContact O-CA 3.3Å; M82-H114 PolarHBondContact O-CD2 3.29Å; H83-H114 AromaticContact CE1-CD2 3.26Å; H83-H114 PolarHBondContact CE1-CD2 2.89Å; H83-H114 AromaticContact CE1-NE2 3.65Å; H83-H114 AromaticContact CG-CD2 3.9Å; H83-H114 AromaticContact ND1-CD2 3.4Å; H83-H114 PolarHBondContact ND1-CD2 3.46Å; H83-H114 AromaticContact NE2-CD2 3.69Å; H83-H114 AromaticContact NE2-NE2 3.84Å; A105-H114 WeakPolarHBondContact CB-O 3.39Å; H114-R116 VanDerWaalsContact CE1-CG 3.41Å; H114-R116 WeakPolarHBondContact CE1-CG 3.4Å |
| 115 | L | 94.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.5 | 175.8 | 174.3 | 61.4 | 0 | 0 | 0 | 109.3 | M82 L94 A105 I117 V140 | M82-L115 HydrophobicContact CE-CD2 4.4Å; M82-L115 HydrophobicContact CG-CB 3.74Å; M82-L115 HydrophobicContact CG-CG 4.46Å; M82-L115 WeakPolarHBondContact CG-O 3.43Å; M82-L115 PolarHBondContact N-O 2.91Å; M82-L115 PolarHBondContact O-N 2.72Å; M82-L115 HydrophobicContact SD-CB 4.05Å; M82-L115 HydrophobicContact SD-CD2 3.97Å; M82-L115 HydrophobicContact SD-CG 4.31Å; L94-L115 HydrophobicContact CD2-CB 3.84Å; L94-L115 HydrophobicContact CD2-CD2 4.24Å; L94-L115 HydrophobicContact CG-CB 4.41Å; L94-L115 HydrophobicContact CG-CD2 3.97Å; A105-L115 HydrophobicContact CB-CB 4.11Å; A105-L115 HydrophobicContact CB-CD1 4.08Å; L115-I117 HydrophobicContact CD1-CG1 4.44Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CD2-CG1 4.05Å; L115-I117 HydrophobicContact CG-CD1 4.25Å; L115-I117 HydrophobicContact CG-CG1 3.85Å; L115-V140 HydrophobicContact CD2-CG1 4.45Å |
| 116 | R | 95.1 | Very high | 89.8 | Confident | 148 Ų | 148 | 63.3 Ų | 63.3 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.4 | 170.8 | -65.8 | -174.9 | 157.9 | 127.5 | 8.1 | 108.5 | L79 E81 H114 | L79-R116 HydrophobicContact CD2-CB 4.38Å; E81-R116 HydrophobicContact CG-CG 4.33Å; E81-R116 IonicContact OE1-CZ 2.74Å; E81-R116 IonicContact OE1-NE 3.12Å; E81-R116 PolarHBondContact OE1-NE 2.9Å; E81-R116 IonicContact OE1-NH2 2.82Å; E81-R116 PolarHBondContact OE1-NH2 3.18Å; H114-R116 VanDerWaalsContact CE1-CG 3.41Å; H114-R116 WeakPolarHBondContact CE1-CG 3.4Å |
| 117 | I | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125 | 176.8 | -52.7 | -174.5 | 0 | 0 | 0 | 108 | L80 M82 A96 L115 C122 V124 V138 V140 | L80-I117 PolarHBondContact N-O 3.29Å; L80-I117 PolarHBondContact O-N 2.89Å; M82-I117 HydrophobicContact CE-CD1 3.41Å; M82-I117 VanDerWaalsContact CE-CD1 3.41Å; M82-I117 HydrophobicContact CE-CG1 4.09Å; A96-I117 HydrophobicContact CB-CD1 4.13Å; L115-I117 HydrophobicContact CD1-CG1 4.44Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CD2-CG1 4.05Å; L115-I117 HydrophobicContact CG-CD1 4.25Å; L115-I117 HydrophobicContact CG-CG1 3.85Å; I117-C122 HydrophobicContact CG2-CB 3.66Å; I117-V124 HydrophobicContact CG2-CG2 3.61Å; I117-V138 HydrophobicContact CD1-CG1 4.18Å; I117-V138 HydrophobicContact CD1-CG2 4.01Å; I117-V140 HydrophobicContact CD1-CG1 4.14Å |
| 118 | P | 91.3 | Very high | 88.3 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 135.2 | 170.1 | -19.6 | 32.8 | 0 | 0 | 0 | 110.6 | E78 C103 S120 G121 | E78-P118 WeakPolarHBondContact O-CA 3.44Å; C103-P118 VanDerWaalsContact SG-CD 3.58Å; P118-S120 PolarHBondContact O-N 3.49Å; P118-G121 PolarHBondContact O-N 2.82Å; P118-G121 VanDerWaalsContact O-N 3.13Å |
| 119 | T | 86.3 | Confident | 87.9 | Confident | 20 Ų | 20 | 57 Ų | 57 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.4 | -178.8 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | R77 E78 Y136 | R77-T119 PolarHBondContact O-OG1 3.37Å; E78-T119 VanDerWaalsContact C-OG1 3.29Å; E78-T119 VanDerWaalsContact CA-OG1 3.32Å; E78-T119 WeakPolarHBondContact CA-OG1 3.48Å; E78-T119 PolarHBondContact O-N 3.01Å; E78-T119 PolarHBondContact O-OG1 3.48Å; T119-Y136 HydrophobicContact CG2-CD2 4.1Å; T119-Y136 HydrophobicContact CG2-CE1 4.39Å; T119-Y136 HydrophobicContact CG2-CE2 3.61Å |
| 120 | S | 79.2 | Confident | 87.3 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.3 | 175.3 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | P118 Y454 | P118-S120 PolarHBondContact O-N 3.49Å; S120-Y454 WeakPolarHBondContact CB-O 3.39Å |
| 121 | G | 81.4 | Confident | 86.4 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -133.8 | -173.2 | -168 | 0 | 0 | 0 | 0 | 0 | 114.6 | P118 G123 V124 | P118-G121 PolarHBondContact O-N 2.82Å; P118-G121 VanDerWaalsContact O-N 3.13Å; G121-G123 PolarHBondContact O-N 3.4Å; G121-V124 WeakPolarHBondContact O-CG2 3.4Å; G121-V124 PolarHBondContact O-N 2.85Å; G121-V124 VanDerWaalsContact O-N 3.08Å |
| 122 | C | 86.6 | Confident | 85.4 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.4 | 166.4 | -61.4 | 0 | 0 | 0 | 0 | 115.7 | A96 F99 C103 I117 V124 | A96-C122 HydrophobicContact CB-CB 3.99Å; A96-C122 WeakPolarHBondContact CB-O 3.36Å; F99-C122 HydrophobicContact CB-CB 4.36Å; F99-C122 HydrophobicContact CD2-CB 4.42Å; F99-C122 VanDerWaalsContact CE2-C 3.42Å; F99-C122 HydrophobicContact CG-CB 4.25Å; C103-C122 HydrophobicContact CB-CB 3.52Å; C103-C122 WeakPolarHBondContact CB-SG 3.45Å; C103-C122 WeakPolarHBondContact SG-CB 3.35Å; C103-C122 CovalentContact SG-SG 2.02Å; C103-C122 PolarHBondContact SG-SG 3.46Å; I117-C122 HydrophobicContact CG2-CB 3.66Å; C122-V124 VanDerWaalsContact C-N 3.3Å; C122-V124 PolarHBondContact O-N 3.24Å |
| 123 | G | 82.2 | Confident | 84.7 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 17.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G121 R125 | G121-G123 PolarHBondContact O-N 3.4Å; G123-R125 PolarHBondContact O-N 2.97Å |
| 124 | V | 88.3 | Confident | 84.2 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 14% | 0.139 | 32% | 0.318 | C | S | . | . | trans | -66.7 | 125.3 | 166.3 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | I117 G121 C122 Y136 V138 | I117-V124 HydrophobicContact CG2-CG2 3.61Å; G121-V124 WeakPolarHBondContact O-CG2 3.4Å; G121-V124 PolarHBondContact O-N 2.85Å; G121-V124 VanDerWaalsContact O-N 3.08Å; C122-V124 VanDerWaalsContact C-N 3.3Å; C122-V124 PolarHBondContact O-N 3.24Å; V124-Y136 HydrophobicContact CG1-CD1 3.79Å; V124-Y136 HydrophobicContact CG1-CG 4.15Å; V124-V138 HydrophobicContact CG2-CB 4.04Å; V124-V138 HydrophobicContact CG2-CG2 4.07Å | ||
| 125 | R | 85.1 | Confident | 83.9 | Confident | 139 Ų | 139 | 56.7 Ų | 56.7 | 53% | 0.525 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.2 | 171.8 | -63.9 | -179.1 | 174.1 | -164.8 | -7.5 | 109 | G123 Y136 T137 | G123-R125 PolarHBondContact O-N 2.97Å; R125-Y136 CarbonylContact O-C 3.49Å; R125-Y136 VanDerWaalsContact O-CA 3.25Å; R125-Y136 WeakPolarHBondContact O-CA 3.44Å; R125-T137 PolarHBondContact N-O 3.07Å; R125-T137 PolarHBondContact O-N 2.98Å |
| 126 | A | 81.7 | Confident | 83.7 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 112.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110 | L134 Y136 | A126-L134 HydrophobicContact CB-CD1 4.14Å; A126-L134 HydrophobicContact CB-CD2 4.12Å; A126-L134 HydrophobicContact CB-CG 4.18Å; A126-Y136 HydrophobicContact CB-CD1 3.76Å; A126-Y136 HydrophobicContact CB-CE1 3.7Å |
| 127 | E | 81.4 | Confident | 83.6 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.5 | -176.2 | -68.8 | 175.3 | -170.5 | 0 | 0 | 109.4 | E135 | E127-E135 PolarHBondContact N-O 3.44Å; E127-E135 PolarHBondContact O-N 2.89Å |
| 128 | P | 74.9 | Confident | 83.5 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 132 | 179.6 | 29.1 | -33.6 | 0 | 0 | 0 | 111 | L134 W217 | P128-L134 HydrophobicContact CB-CD1 4.43Å; P128-W217 HydrophobicContact CG-CZ2 4.28Å |
| 129 | L | 82.2 | Confident | 83.6 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | trans | -88.6 | 158.9 | 173 | -108.5 | 63.1 | 0 | 0 | 0 | 111.3 | D131 G132 S133 E135 | L129-D131 PolarHBondContact O-N 3.32Å; L129-G132 PolarHBondContact O-N 2.95Å; L129-S133 VanDerWaalsContact CB-OG 3.31Å; L129-S133 WeakPolarHBondContact CB-OG 3.23Å; L129-S133 PolarHBondContact N-O 2.94Å; L129-E135 HydrophobicContact CD1-CB 3.81Å | ||
| 130 | E | 78.6 | Confident | 84 | Confident | 205 Ų | 205 | 53.8 Ų | 53.8 | 96% | 0.958 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33.9 | 178.3 | -59.7 | -172.1 | 165.4 | 0 | 0 | 112.3 | G132 | E130-G132 PolarHBondContact O-N 3.49Å; E130-G132 VanDerWaalsContact O-N 3.08Å |
| 131 | D | 75.6 | Confident | 84.7 | Confident | 140 Ų | 140 | 52 Ų | 52 | 75% | 0.749 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -3.6 | 174.6 | -57.9 | -42.7 | 0 | 0 | 0 | 114 | L129 S133 | L129-D131 PolarHBondContact O-N 3.32Å; D131-S133 PolarHBondContact O-N 2.88Å |
| 132 | G | 71.2 | Confident | 85.3 | Confident | 22 Ų | 22 | 51 Ų | 51 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 74.9 | 8.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L129 E130 M167 R215 | L129-G132 PolarHBondContact O-N 2.95Å; E130-G132 PolarHBondContact O-N 3.49Å; E130-G132 VanDerWaalsContact O-N 3.08Å; G132-M167 VanDerWaalsContact O-CE 3.27Å; G132-M167 WeakPolarHBondContact O-CE 3.36Å; G132-R215 PolarHBondContact O-NH1 2.75Å; G132-R215 PolarHBondContact O-NH2 3.06Å; G132-R215 VanDerWaalsContact O-NH2 3.12Å |
| 133 | S | 80.9 | Confident | 85.7 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -75.2 | 173.1 | 161.5 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | L129 D131 L162 | L129-S133 VanDerWaalsContact CB-OG 3.31Å; L129-S133 WeakPolarHBondContact CB-OG 3.23Å; L129-S133 PolarHBondContact N-O 2.94Å; D131-S133 PolarHBondContact O-N 2.88Å; S133-L162 WeakPolarHBondContact CB-O 3.47Å | ||
| 134 | L | 81.6 | Confident | 86.1 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.2 | -178.4 | -168.9 | 70.1 | 0 | 0 | 0 | 109.3 | A126 P128 Y136 L162 M167 | A126-L134 HydrophobicContact CB-CD1 4.14Å; A126-L134 HydrophobicContact CB-CD2 4.12Å; A126-L134 HydrophobicContact CB-CG 4.18Å; P128-L134 HydrophobicContact CB-CD1 4.43Å; L134-Y136 HydrophobicContact CD2-CD1 4.45Å; L134-Y136 HydrophobicContact CD2-CE1 3.65Å; L134-Y136 HydrophobicContact CG-CE1 4.3Å; L134-L162 PolarHBondContact N-O 2.91Å; L134-L162 PolarHBondContact O-N 3.33Å; L134-M167 HydrophobicContact CB-CE 4.07Å; L134-M167 HydrophobicContact CB-SD 3.99Å; L134-M167 HydrophobicContact CD2-SD 4.18Å |
| 135 | E | 89.3 | Confident | 86.1 | Confident | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 115 | 173.7 | -177.1 | 161.4 | -75.1 | 0 | 0 | 110.1 | E127 L129 R159 Q161 | E127-E135 PolarHBondContact N-O 3.44Å; E127-E135 PolarHBondContact O-N 2.89Å; L129-E135 HydrophobicContact CD1-CB 3.81Å; E135-R159 HydrophobicContact CG-CB 4.5Å; E135-R159 WeakPolarHBondContact OE2-CD 3.21Å; E135-R159 IonicContact OE2-CZ 2.87Å; E135-R159 IonicContact OE2-NE 3.12Å; E135-R159 IonicContact OE2-NH1 3.02Å; E135-R159 PolarHBondContact OE2-NH1 3.15Å; E135-Q161 HydrophobicContact CB-CG 4.26Å; E135-Q161 HydrophobicContact CG-CG 4.23Å; E135-Q161 WeakPolarHBondContact OE1-CG 3.43Å; E135-Q161 PolarHBondContact OE1-NE2 3.1Å |
| 136 | Y | 91.2 | Very high | 86.2 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.8 | 168.4 | -67.7 | -50.7 | 0 | 0 | 0 | 110.5 | C75 T119 V124 R125 A126 L134 R159 C160 L162 | C75-Y136 HydrophobicContact CB-CD2 3.93Å; C75-Y136 HydrophobicContact CB-CE2 4.45Å; T119-Y136 HydrophobicContact CG2-CD2 4.1Å; T119-Y136 HydrophobicContact CG2-CE1 4.39Å; T119-Y136 HydrophobicContact CG2-CE2 3.61Å; V124-Y136 HydrophobicContact CG1-CD1 3.79Å; V124-Y136 HydrophobicContact CG1-CG 4.15Å; R125-Y136 CarbonylContact O-C 3.49Å; R125-Y136 VanDerWaalsContact O-CA 3.25Å; R125-Y136 WeakPolarHBondContact O-CA 3.44Å; A126-Y136 HydrophobicContact CB-CD1 3.76Å; A126-Y136 HydrophobicContact CB-CE1 3.7Å; L134-Y136 HydrophobicContact CD2-CD1 4.45Å; L134-Y136 HydrophobicContact CD2-CE1 3.65Å; L134-Y136 HydrophobicContact CG-CE1 4.3Å; Y136-R159 CarbonylContact O-C 3.52Å; Y136-R159 VanDerWaalsContact O-CA 3.3Å; Y136-R159 WeakPolarHBondContact O-CA 3.5Å; Y136-C160 PolarHBondContact N-O 3.07Å; Y136-C160 PolarHBondContact O-N 3.01Å; Y136-L162 HydrophobicContact CD2-CB 4.33Å; Y136-L162 HydrophobicContact CE2-CB 4.04Å; Y136-L162 HydrophobicContact CE2-CD2 3.74Å; Y136-L162 HydrophobicContact CE2-CG 4.46Å |
| 137 | T | 92.1 | Very high | 86.4 | Confident | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.9 | 174.7 | -67 | 0 | 0 | 0 | 0 | 110.6 | R125 V158 | R125-T137 PolarHBondContact N-O 3.07Å; R125-T137 PolarHBondContact O-N 2.98Å; T137-V158 WeakPolarHBondContact CA-O 3.46Å |
| 138 | V | 93.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.4 | 175.4 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | L80 M82 A96 I117 V124 V158 | L80-V138 HydrophobicContact CD1-CG1 4.31Å; L80-V138 HydrophobicContact CD2-CG1 4.33Å; M82-V138 HydrophobicContact CE-CG1 4.3Å; A96-V138 HydrophobicContact CB-CG2 4.49Å; I117-V138 HydrophobicContact CD1-CG1 4.18Å; I117-V138 HydrophobicContact CD1-CG2 4.01Å; V124-V138 HydrophobicContact CG2-CB 4.04Å; V124-V138 HydrophobicContact CG2-CG2 4.07Å; V138-V158 HydrophobicContact CG1-CB 3.91Å; V138-V158 HydrophobicContact CG1-CG2 4.44Å; V138-V158 PolarHBondContact N-O 3.11Å; V138-V158 PolarHBondContact O-N 3.01Å |
| 139 | R | 93.1 | Very high | 87.2 | Confident | 128 Ų | 128 | 66.1 Ų | 66.1 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.3 | 176.1 | -62.4 | 175.9 | 77.3 | 172.7 | 8.4 | 108.6 | K97 L155 S156 | K97-R139 HydrophobicContact CB-CB 3.78Å; K97-R139 WeakPolarHBondContact CB-O 3.36Å; K97-R139 HydrophobicContact CD-CB 4.05Å; K97-R139 PolarHBondContact N-O 3.01Å; R139-L155 HydrophobicContact CB-CD1 4.33Å; R139-S156 CarbonylContact C-O 3.6Å; R139-S156 WeakPolarHBondContact CA-O 3.37Å |
| 140 | V | 94.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.4 | 179.6 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | M82 L94 Y95 L115 I117 S156 V158 | M82-V140 HydrophobicContact CE-CG1 3.82Å; M82-V140 HydrophobicContact SD-CG1 3.91Å; M82-V140 HydrophobicContact SD-CG2 4.46Å; L94-V140 HydrophobicContact CD1-CB 4.18Å; L94-V140 HydrophobicContact CD1-CG2 4.15Å; Y95-V140 CarbonylContact O-C 3.06Å; Y95-V140 VanDerWaalsContact O-CA 3.3Å; Y95-V140 WeakPolarHBondContact O-CA 3.37Å; L115-V140 HydrophobicContact CD2-CG1 4.45Å; I117-V140 HydrophobicContact CD1-CG1 4.14Å; V140-S156 PolarHBondContact N-O 2.78Å; V140-S156 PolarHBondContact O-N 3.15Å; V140-V158 HydrophobicContact CG1-CG2 4.07Å; V140-V158 HydrophobicContact CG2-CG2 3.67Å |
| 141 | M | 93.2 | Very high | 87.9 | Confident | 25 Ų | 25 | 63.4 Ų | 63.4 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.1 | 178.1 | -170.5 | 68.9 | 76.2 | 0 | 0 | 109.7 | L94 Y95 D153 L155 | L94-M141 WeakPolarHBondContact CA-O 3.47Å; Y95-M141 HydrophobicContact CD1-CB 4.28Å; Y95-M141 HydrophobicContact CD2-CB 4.41Å; Y95-M141 HydrophobicContact CE1-CB 3.81Å; Y95-M141 HydrophobicContact CE1-CG 3.91Å; Y95-M141 HydrophobicContact CE2-CB 3.94Å; Y95-M141 PolarHBondContact N-O 3.05Å; Y95-M141 PolarHBondContact O-N 3.01Å; M141-D153 HydrophobicContact SD-CB 4.2Å; M141-L155 HydrophobicContact CE-CB 4.08Å; M141-L155 HydrophobicContact CE-CD1 3.97Å; M141-L155 HydrophobicContact CE-CD2 4.48Å; M141-L155 HydrophobicContact CE-CG 4.4Å; M141-L155 HydrophobicContact SD-CB 4.01Å; M141-L155 HydrophobicContact SD-CD1 4.44Å |
| 142 | L | 94.7 | Very high | 88.4 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 93.4 | 169.3 | -174.1 | 77.6 | 0 | 0 | 0 | 108.4 | I68 L86 F90 L93 L94 L113 I154 | I68-L142 HydrophobicContact CG1-CD2 4.17Å; L86-L142 HydrophobicContact CD1-CD1 4.29Å; L86-L142 HydrophobicContact CD1-CD2 4.43Å; L86-L142 HydrophobicContact CD2-CD2 3.7Å; F90-L142 HydrophobicContact CD1-CD1 4.39Å; F90-L142 HydrophobicContact CD2-CD1 4.47Å; F90-L142 HydrophobicContact CE1-CD1 3.67Å; F90-L142 HydrophobicContact CE2-CD1 3.76Å; F90-L142 HydrophobicContact CE2-CD2 4.31Å; F90-L142 HydrophobicContact CE2-CG 3.84Å; F90-L142 HydrophobicContact CZ-CD1 3.3Å; F90-L142 HydrophobicContact CZ-CG 3.76Å; L93-L142 CarbonylContact O-C 3.31Å; L94-L142 HydrophobicContact CB-CD1 4.05Å; L94-L142 HydrophobicContact CD1-CB 4.23Å; L94-L142 HydrophobicContact CD1-CD1 4.04Å; L113-L142 HydrophobicContact CD2-CD1 4.17Å; L142-I154 HydrophobicContact CB-CB 4.24Å; L142-I154 HydrophobicContact CD2-CD1 4.37Å; L142-I154 PolarHBondContact N-O 3.15Å; L142-I154 PolarHBondContact O-N 3.27Å; L142-I154 VanDerWaalsContact O-N 3.09Å |
| 143 | Q | 94 | Very high | 89.4 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.1 | 178.7 | 174.9 | 179.6 | -23 | 0 | 0 | 110 | F90 G92 L93 Y95 E145 L148 D153 | F90-Q143 WeakPolarHBondContact CZ-O 3.22Å; G92-Q143 WeakPolarHBondContact CA-O 3.28Å; L93-Q143 HydrophobicContact CB-CB 4.45Å; L93-Q143 PolarHBondContact N-O 3.49Å; L93-Q143 PolarHBondContact O-N 3.09Å; Y95-Q143 HydrophobicContact CE1-CB 3.95Å; Q143-E145 WeakPolarHBondContact CG-O 3.08Å; Q143-E145 PolarHBondContact NE2-O 3.48Å; Q143-E145 PolarHBondContact O-N 3.5Å; Q143-L148 VanDerWaalsContact NE2-C 3.34Å; Q143-L148 PolarHBondContact NE2-O 2.88Å; Q143-D153 WeakPolarHBondContact CA-OD1 3.34Å |
| 144 | K | 90.9 | Very high | 89.9 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -66.9 | -40.9 | -172 | -65.3 | 176.9 | -169.6 | 169.1 | 0 | 112.7 | M66 G92 T152 D153 | M66-K144 HydrophobicContact CB-CD 4.36Å; G92-K144 VanDerWaalsContact CA-O 3.24Å; G92-K144 WeakPolarHBondContact CA-O 3.42Å; K144-T152 WeakPolarHBondContact CE-O 3.19Å; K144-T152 VanDerWaalsContact NZ-CB 3.31Å; K144-T152 PolarHBondContact NZ-O 2.77Å; K144-T152 PolarHBondContact NZ-OG1 3.31Å; K144-D153 PolarHBondContact N-OD1 3.37Å |
| 145 | E | 89.4 | Confident | 90.5 | Very high | 109 Ų | 109 | 63.6 Ų | 63.6 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -107.9 | 126.1 | -177.8 | -68 | -58.8 | 163.4 | 0 | 0 | 112.3 | Q143 K147 L148 | Q143-E145 WeakPolarHBondContact CG-O 3.08Å; Q143-E145 PolarHBondContact NE2-O 3.48Å; Q143-E145 PolarHBondContact O-N 3.5Å; E145-K147 PolarHBondContact O-N 2.65Å; E145-L148 PolarHBondContact O-N 2.71Å; E145-L148 VanDerWaalsContact O-O 3.13Å |
| 146 | Q | 86.3 | Confident | 90.6 | Very high | 51 Ų | 51 | 64.1 Ų | 64.1 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21.5 | -171.8 | -65 | -176.9 | -10.9 | 0 | 0 | 115.6 | R91 L93 | R91-Q146 VanDerWaalsContact O-CD 3.28Å; R91-Q146 WeakPolarHBondContact O-CG 3.45Å; R91-Q146 PolarHBondContact O-NE2 2.67Å; L93-Q146 WeakPolarHBondContact CD1-O 3.29Å |
| 147 | K | 85.6 | Confident | 90.7 | Very high | 204 Ų | 204 | 66.5 Ų | 66.5 | 89% | 0.887 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | -7.7 | -172.9 | -62.8 | -175.4 | -179.2 | 179.6 | 0 | 114.4 | E145 | E145-K147 PolarHBondContact O-N 2.65Š|
| 148 | L | 87.6 | Confident | 90.8 | Very high | 110 Ų | 110 | 65.6 Ų | 65.6 | 58% | 0.576 | 33% | 0.326 | S | S | * | . | B | Isolated β-bridge | trans | -141 | 125.3 | -174.5 | -174.5 | 68.9 | 0 | 0 | 0 | 110 | Q143 E145 | Q143-L148 VanDerWaalsContact NE2-C 3.34Å; Q143-L148 PolarHBondContact NE2-O 2.88Å; E145-L148 PolarHBondContact O-N 2.71Å; E145-L148 VanDerWaalsContact O-O 3.13Å |
| 149 | R | 86.7 | Confident | 90.9 | Very high | 179 Ų | 179 | 72.9 Ų | 72.9 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | trans | -81.2 | 130.4 | 168.9 | -166.6 | -174.5 | 71 | -177 | 2 | 109.2 | D153 | R149-D153 VanDerWaalsContact CA-OD2 3.28Å; R149-D153 WeakPolarHBondContact CA-OD2 3.5Å; R149-D153 WeakPolarHBondContact CG-OD2 3.1Å | ||
| 150 | Q | 87.1 | Confident | 90.9 | Very high | 73 Ų | 73 | 67.6 Ų | 67.6 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | trans | -113.2 | 158 | 179.8 | -60.8 | -176.4 | 1.9 | 0 | 0 | 110.8 | T152 D153 | Q150-T152 PolarHBondContact O-N 3.46Å; Q150-T152 PolarHBondContact OE1-OG1 2.84Å; Q150-D153 PolarHBondContact N-OD2 2.91Å; Q150-D153 WeakPolarHBondContact O-CB 3.24Å; Q150-D153 PolarHBondContact O-N 2.76Å | ||
| 151 | S | 86.6 | Confident | 90.8 | Very high | 129 Ų | 129 | 72.7 Ų | 72.7 | 90% | 0.902 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.5 | 169.7 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 152 | T | 86.9 | Confident | 90.5 | Very high | 68 Ų | 68 | 71.5 Ų | 71.5 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -4 | 179 | 84.3 | 0 | 0 | 0 | 0 | 113.6 | K144 Q150 | K144-T152 WeakPolarHBondContact CE-O 3.19Å; K144-T152 VanDerWaalsContact NZ-CB 3.31Å; K144-T152 PolarHBondContact NZ-O 2.77Å; K144-T152 PolarHBondContact NZ-OG1 3.31Å; Q150-T152 PolarHBondContact O-N 3.46Å; Q150-T152 PolarHBondContact OE1-OG1 2.84Å |
| 153 | D | 91.9 | Very high | 90 | Very high | 19 Ų | 19 | 74.4 Ų | 74.4 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | trans | -63.2 | 149.3 | 176 | -68.5 | -27.6 | 0 | 0 | 0 | 111.4 | M141 Q143 K144 R149 Q150 | M141-D153 HydrophobicContact SD-CB 4.2Å; Q143-D153 WeakPolarHBondContact CA-OD1 3.34Å; K144-D153 PolarHBondContact N-OD1 3.37Å; R149-D153 VanDerWaalsContact CA-OD2 3.28Å; R149-D153 WeakPolarHBondContact CA-OD2 3.5Å; R149-D153 WeakPolarHBondContact CG-OD2 3.1Å; Q150-D153 PolarHBondContact N-OD2 2.91Å; Q150-D153 WeakPolarHBondContact O-CB 3.24Å; Q150-D153 PolarHBondContact O-N 2.76Å | ||
| 154 | I | 92.3 | Very high | 89.1 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.6 | -171 | -63.5 | 168.1 | 0 | 0 | 0 | 109.8 | M66 I68 L142 | M66-I154 WeakPolarHBondContact O-CD1 3.36Å; I68-I154 HydrophobicContact CD1-CG2 4Å; L142-I154 HydrophobicContact CB-CB 4.24Å; L142-I154 HydrophobicContact CD2-CD1 4.37Å; L142-I154 PolarHBondContact N-O 3.15Å; L142-I154 PolarHBondContact O-N 3.27Å; L142-I154 VanDerWaalsContact O-N 3.09Å |
| 155 | L | 93.1 | Very high | 88.1 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.2 | 169 | 179.9 | 59.3 | 0 | 0 | 0 | 109.4 | K97 R139 M141 | K97-L155 HydrophobicContact CB-CD1 4.28Å; K97-L155 HydrophobicContact CD-CD1 4.2Å; K97-L155 HydrophobicContact CG-CD1 4.2Å; R139-L155 HydrophobicContact CB-CD1 4.33Å; M141-L155 HydrophobicContact CE-CB 4.08Å; M141-L155 HydrophobicContact CE-CD1 3.97Å; M141-L155 HydrophobicContact CE-CD2 4.48Å; M141-L155 HydrophobicContact CE-CG 4.4Å; M141-L155 HydrophobicContact SD-CB 4.01Å; M141-L155 HydrophobicContact SD-CD1 4.44Å |
| 156 | S | 92.4 | Very high | 87 | Confident | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.9 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 111 | R139 V140 | R139-S156 CarbonylContact C-O 3.6Å; R139-S156 WeakPolarHBondContact CA-O 3.37Å; V140-S156 PolarHBondContact N-O 2.78Å; V140-S156 PolarHBondContact O-N 3.15Å |
| 157 | S | 93.3 | Very high | 85.9 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 46% | 0.462 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.3 | 169.7 | -158.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 158 | V | 94.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131 | -179 | -166.8 | 0 | 0 | 0 | 0 | 108 | M71 V73 M82 T137 V138 V140 | M71-V158 HydrophobicContact CE-CB 4.48Å; M71-V158 HydrophobicContact CE-CG1 4.25Å; M71-V158 HydrophobicContact CE-CG2 4.15Å; M71-V158 HydrophobicContact SD-CG1 4.41Å; M71-V158 HydrophobicContact SD-CG2 3.86Å; V73-V158 HydrophobicContact CB-CG1 4.26Å; V73-V158 HydrophobicContact CG1-CG1 3.82Å; V73-V158 HydrophobicContact CG2-CG1 3.42Å; V73-V158 VanDerWaalsContact CG2-CG1 3.42Å; M82-V158 HydrophobicContact CE-CG2 4.27Å; M82-V158 HydrophobicContact SD-CG2 4.46Å; T137-V158 WeakPolarHBondContact CA-O 3.46Å; V138-V158 HydrophobicContact CG1-CB 3.91Å; V138-V158 HydrophobicContact CG1-CG2 4.44Å; V138-V158 PolarHBondContact N-O 3.11Å; V138-V158 PolarHBondContact O-N 3.01Å; V140-V158 HydrophobicContact CG1-CG2 4.07Å; V140-V158 HydrophobicContact CG2-CG2 3.67Å |
| 159 | R | 94.1 | Very high | 82.6 | Confident | 155 Ų | 155 | 62.8 Ų | 62.8 | 59% | 0.585 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.8 | 172 | -62.3 | 180 | -176.2 | -122.6 | 6.1 | 108.8 | E135 Y136 | E135-R159 HydrophobicContact CG-CB 4.5Å; E135-R159 WeakPolarHBondContact OE2-CD 3.21Å; E135-R159 IonicContact OE2-CZ 2.87Å; E135-R159 IonicContact OE2-NE 3.12Å; E135-R159 IonicContact OE2-NH1 3.02Å; E135-R159 PolarHBondContact OE2-NH1 3.15Å; Y136-R159 CarbonylContact O-C 3.52Å; Y136-R159 VanDerWaalsContact O-CA 3.3Å; Y136-R159 WeakPolarHBondContact O-CA 3.5Å |
| 160 | C | 93.8 | Very high | 80.6 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.108 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 126 | 171.9 | -170.9 | 0 | 0 | 0 | 0 | 110 | V73 C75 L80 Y136 | V73-C160 HydrophobicContact CG1-CB 3.77Å; C75-C160 HydrophobicContact CB-CB 3.73Å; C75-C160 WeakPolarHBondContact CB-SG 3.04Å; C75-C160 PolarHBondContact N-SG 3.08Å; C75-C160 VanDerWaalsContact SG-C 3.56Å; C75-C160 WeakPolarHBondContact SG-CB 3.35Å; C75-C160 CovalentContact SG-SG 2.04Å; C75-C160 PolarHBondContact SG-SG 3.14Å; L80-C160 HydrophobicContact CD1-CB 4.14Å; Y136-C160 PolarHBondContact N-O 3.07Å; Y136-C160 PolarHBondContact O-N 3.01Å |
| 161 | Q | 92.1 | Very high | 78.4 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 51% | 0.514 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.7 | 179.9 | -67.1 | 179.9 | -4 | 0 | 0 | 109.5 | E135 P163 | E135-Q161 HydrophobicContact CB-CG 4.26Å; E135-Q161 HydrophobicContact CG-CG 4.23Å; E135-Q161 WeakPolarHBondContact OE1-CG 3.43Å; E135-Q161 PolarHBondContact OE1-NE2 3.1Å; Q161-P163 VanDerWaalsContact O-CD 3.3Å; Q161-P163 WeakPolarHBondContact O-CD 3.45Å |
| 162 | L | 87.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 109.5 | 173.5 | -174.5 | 66.8 | 0 | 0 | 0 | 108.6 | C75 S133 L134 Y136 A166 M167 | C75-L162 WeakPolarHBondContact O-CD1 2.97Å; S133-L162 WeakPolarHBondContact CB-O 3.47Å; L134-L162 PolarHBondContact N-O 2.91Å; L134-L162 PolarHBondContact O-N 3.33Å; Y136-L162 HydrophobicContact CD2-CB 4.33Å; Y136-L162 HydrophobicContact CE2-CB 4.04Å; Y136-L162 HydrophobicContact CE2-CD2 3.74Å; Y136-L162 HydrophobicContact CE2-CG 4.46Å; L162-A166 HydrophobicContact CD1-CB 3.6Å; L162-A166 HydrophobicContact CG-CB 4.37Å; L162-M167 HydrophobicContact CD2-CG 3.6Å; L162-M167 HydrophobicContact CD2-SD 4.45Å; L162-M167 HydrophobicContact CG-CG 3.88Å |
| 163 | P | 84.4 | Confident | 74.2 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | trans | -68.8 | 153.3 | 179.7 | 29.7 | -36 | 0 | 0 | 0 | 110.8 | Q161 N165 A166 M167 | Q161-P163 VanDerWaalsContact O-CD 3.3Å; Q161-P163 WeakPolarHBondContact O-CD 3.45Å; P163-N165 VanDerWaalsContact C-N 3.26Å; P163-N165 VanDerWaalsContact CB-OD1 3.29Å; P163-N165 WeakPolarHBondContact CB-OD1 3.46Å; P163-N165 VanDerWaalsContact CG-OD1 3.29Å; P163-N165 WeakPolarHBondContact CG-OD1 3.41Å; P163-N165 PolarHBondContact O-N 2.81Å; P163-N165 VanDerWaalsContact O-N 3.14Å; P163-A166 HydrophobicContact CG-CB 3.94Å; P163-A166 PolarHBondContact O-N 3.5Å; P163-M167 PolarHBondContact O-N 2.82Å | ||
| 164 | A | 74.2 | Confident | 71.8 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 21% | 0.207 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -55.7 | -38.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A166 M167 M169 | A164-A166 PolarHBondContact O-N 3.31Å; A164-M167 HydrophobicContact CB-CE 4.36Å; A164-M167 WeakPolarHBondContact O-CB 3.49Å; A164-M167 PolarHBondContact O-N 2.86Å; A164-M169 WeakPolarHBondContact O-CB 3.13Å |
| 165 | N | 69.9 | Low | 69.3 | Low | 111 Ų | 111 | 76.7 Ų | 76.7 | 59% | 0.594 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -59.6 | -43.3 | 176.5 | 59.1 | -14.1 | 0 | 0 | 0 | 113.1 | P163 M167 G168 M169 | P163-N165 VanDerWaalsContact C-N 3.26Å; P163-N165 VanDerWaalsContact CB-OD1 3.29Å; P163-N165 WeakPolarHBondContact CB-OD1 3.46Å; P163-N165 VanDerWaalsContact CG-OD1 3.29Å; P163-N165 WeakPolarHBondContact CG-OD1 3.41Å; P163-N165 PolarHBondContact O-N 2.81Å; P163-N165 VanDerWaalsContact O-N 3.14Å; N165-M167 PolarHBondContact O-N 2.9Å; N165-G168 PolarHBondContact O-N 3.42Å; N165-G168 VanDerWaalsContact O-N 3.13Å; N165-M169 WeakPolarHBondContact CA-O 3.01Å; N165-M169 PolarHBondContact O-N 2.82Å; N165-M169 VanDerWaalsContact O-N 3.13Å |
| 166 | A | 67 | Low | 67 | Low | 49 Ų | 49 | 82.2 Ų | 82.2 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -71 | -12.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L162 P163 A164 G168 | L162-A166 HydrophobicContact CD1-CB 3.6Å; L162-A166 HydrophobicContact CG-CB 4.37Å; P163-A166 HydrophobicContact CG-CB 3.94Å; P163-A166 PolarHBondContact O-N 3.5Å; A164-A166 PolarHBondContact O-N 3.31Å; A166-G168 PolarHBondContact O-N 2.87Å |
| 167 | M | 62.5 | Low | 64.6 | Low | 27 Ų | 27 | 88.9 Ų | 88.9 | 13% | 0.133 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -72.8 | 5.5 | 167.7 | -58.4 | -157.7 | -105.2 | 0 | 0 | 113.6 | G132 L134 L162 P163 A164 N165 M169 | G132-M167 VanDerWaalsContact O-CE 3.27Å; G132-M167 WeakPolarHBondContact O-CE 3.36Å; L134-M167 HydrophobicContact CB-CE 4.07Å; L134-M167 HydrophobicContact CB-SD 3.99Å; L134-M167 HydrophobicContact CD2-SD 4.18Å; L162-M167 HydrophobicContact CD2-CG 3.6Å; L162-M167 HydrophobicContact CD2-SD 4.45Å; L162-M167 HydrophobicContact CG-CG 3.88Å; P163-M167 PolarHBondContact O-N 2.82Å; A164-M167 HydrophobicContact CB-CE 4.36Å; A164-M167 WeakPolarHBondContact O-CB 3.49Å; A164-M167 PolarHBondContact O-N 2.86Å; N165-M167 PolarHBondContact O-N 2.9Å; M167-M169 HydrophobicContact CB-CG 4.28Å |
| 168 | G | 54 | Low | 62.3 | Low | 50 Ų | 50 | 95.9 Ų | 95.9 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 24.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N165 A166 P170 R213 | N165-G168 PolarHBondContact O-N 3.42Å; N165-G168 VanDerWaalsContact O-N 3.13Å; A166-G168 PolarHBondContact O-N 2.87Å; G168-P170 WeakPolarHBondContact O-CD 3.44Å; G168-R213 PolarHBondContact O-NH1 3.17Å |
| 169 | M | 50.4 | Low | 60.1 | Low | 33 Ų | 33 | 98.2 Ų | 98.2 | 16% | 0.163 | 52% | 0.524 | C | S | . | . | trans | -121.5 | 88.3 | -169.3 | -58 | -81.9 | -73.8 | 0 | 0 | 114.1 | A164 N165 M167 L171 R213 | A164-M169 WeakPolarHBondContact O-CB 3.13Å; N165-M169 WeakPolarHBondContact CA-O 3.01Å; N165-M169 PolarHBondContact O-N 2.82Å; N165-M169 VanDerWaalsContact O-N 3.13Å; M167-M169 HydrophobicContact CB-CG 4.28Å; M169-L171 PolarHBondContact O-N 3.09Å; M169-R213 HydrophobicContact CE-CB 4.03Å; M169-R213 HydrophobicContact CE-CG 4.33Å; M169-R213 HydrophobicContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CD 3.56Å; M169-R213 HydrophobicContact SD-CG 3.49Å; M169-R213 WeakPolarHBondContact SD-CG 3.32Å; M169-R213 PolarHBondContact SD-NH1 3.48Å | ||
| 170 | P | 43.4 | Very low | 58 | Low | 89 Ų | 89 | 99.4 Ų | 99.4 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | trans | -67.7 | 102.9 | 142.1 | 30.3 | -29.9 | 0 | 0 | 0 | 107.7 | G168 | G168-P170 WeakPolarHBondContact O-CD 3.44Š| ||
| 171 | L | 42.3 | Very low | 56.1 | Low | 117 Ų | 117 | 106 Ų | 106 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | trans | -64.2 | 127.2 | 156.6 | -84.9 | 138.1 | 0 | 0 | 0 | 107 | M169 V173 | M169-L171 PolarHBondContact O-N 3.09Å; L171-V173 PolarHBondContact O-N 2.9Å | ||
| 172 | P | 42.3 | Very low | 54.4 | Low | 108 Ų | 108 | 109.8 Ų | 109.8 | 70% | 0.701 | 58% | 0.579 | S | S | * | * | trans | -63.7 | 110.7 | 165.9 | 26.8 | -31 | 0 | 0 | 0 | 107 | L174 | P172-L174 PolarHBondContact O-N 2.79Š| ||
| 173 | V | 42.4 | Very low | 53 | Low | 123 Ų | 123 | 116 Ų | 116 | 75% | 0.745 | 61% | 0.612 | S | S | * | * | trans | -59 | 107.3 | 165.9 | 175.8 | 0 | 0 | 0 | 0 | 105.8 | L171 R175 | L171-V173 PolarHBondContact O-N 2.9Å; V173-R175 PolarHBondContact O-N 2.87Å | ||
| 174 | L | 41.1 | Very low | 51.6 | Low | 158 Ų | 158 | 116.7 Ų | 116.7 | 83% | 0.827 | 62% | 0.623 | S | S | * | * | trans | -61.5 | 93.2 | 166.1 | -74.2 | 176.6 | 0 | 0 | 0 | 106.5 | P172 Q176 | P172-L174 PolarHBondContact O-N 2.79Å; L174-Q176 PolarHBondContact O-N 3.18Å | ||
| 175 | R | 40.2 | Very low | 50.7 | Low | 209 Ų | 209 | 126.2 Ų | 126.2 | 79% | 0.789 | 65% | 0.653 | S | S | * | * | trans | -58.9 | 108.3 | 170.1 | -66.6 | -177.4 | 92.4 | 90.5 | -5.1 | 105.4 | V173 E177 | V173-R175 PolarHBondContact O-N 2.87Å; R175-E177 PolarHBondContact O-N 3.27Å | ||
| 176 | Q | 44.6 | Very low | 49.9 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 66% | 0.656 | S | S | * | * | trans | -72.9 | 76.1 | 173.8 | -167 | 165.2 | 11.5 | 0 | 0 | 107.5 | L174 K178 | L174-Q176 PolarHBondContact O-N 3.18Å; Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 3.2Å | ||
| 177 | E | 41.7 | Very low | 49.4 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | trans | -64.8 | 95.2 | 170 | -75.5 | -144.3 | 144.7 | 0 | 0 | 108.6 | R175 G179 | R175-E177 PolarHBondContact O-N 3.27Å; E177-G179 PolarHBondContact O-N 3.28Å | ||
| 178 | K | 46.4 | Very low | 49 | Very low | 213 Ų | 213 | 134 Ų | 134 | 93% | 0.926 | 68% | 0.684 | S | S | * | * | trans | -64.5 | 79 | 166.7 | -173.5 | -176.3 | -175.7 | -179.3 | 0 | 108.5 | Q176 | Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 3.2Å | ||
| 179 | G | 47.4 | Very low | 48.8 | Very low | 50 Ų | 50 | 137.3 Ų | 137.3 | 52% | 0.515 | 69% | 0.69 | S | S | . | * | trans | -166.8 | 72 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | E177 | E177-G179 PolarHBondContact O-N 3.28Š| ||
| 180 | H | 50.6 | Low | 48.8 | Very low | 179 Ų | 179 | 139 Ų | 139 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | 63.7 | 139.1 | 156 | -73.4 | 72.1 | 0 | 0 | 0 | 119.7 | R182 | H180-R182 PolarHBondContact O-N 3.18Š| ||
| 181 | D | 53.3 | Low | 49.1 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | -55.9 | 121.8 | 170.1 | -92.6 | -51.7 | 0 | 0 | 0 | 112 | ||||
| 182 | R | 56.7 | Low | 49.3 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 72% | 0.721 | 71% | 0.705 | S | S | * | * | trans | -128.8 | 121.6 | 161.8 | -71 | -173.7 | 175.6 | 173.9 | -0 | 108.3 | H180 A184 R187 | H180-R182 PolarHBondContact O-N 3.18Å; R182-A184 PolarHBondContact O-N 2.85Å; R182-R187 PolarHBondContact O-NH1 2.78Å | ||
| 183 | N | 58 | Low | 49.4 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -47.8 | 132.6 | -168.1 | -55.1 | -14.1 | 0 | 0 | 0 | 112.2 | R185 M186 | N183-R185 PolarHBondContact O-N 2.7Å; N183-M186 PolarHBondContact O-N 2.94Å | ||
| 184 | A | 55.7 | Low | 49.5 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 63% | 0.628 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -51.6 | -29.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R182 M186 R187 | R182-A184 PolarHBondContact O-N 2.85Å; A184-M186 VanDerWaalsContact C-N 3.27Å; A184-M186 PolarHBondContact O-N 3.44Å; A184-R187 PolarHBondContact O-N 2.95Å; A184-R187 VanDerWaalsContact O-N 3.16Å |
| 185 | R | 54.6 | Low | 49.6 | Very low | 225 Ų | 225 | 129.9 Ų | 129.9 | 85% | 0.849 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -62.3 | -25.5 | 178.9 | -156.4 | 171.5 | -173.8 | 171.5 | 1.2 | 114.5 | N183 | N183-R185 PolarHBondContact O-N 2.7Å |
| 186 | M | 53.9 | Low | 49.5 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -86.1 | -19.1 | 176.5 | -71.9 | -116.7 | -72.7 | 0 | 0 | 113.6 | N183 A184 L189 A190 | N183-M186 PolarHBondContact O-N 2.94Å; A184-M186 VanDerWaalsContact C-N 3.27Å; A184-M186 PolarHBondContact O-N 3.44Å; M186-L189 PolarHBondContact O-N 2.76Å; M186-A190 PolarHBondContact O-N 2.91Å; M186-A190 VanDerWaalsContact O-N 3.1Å |
| 187 | R | 56.8 | Low | 49.2 | Very low | 150 Ų | 150 | 121.1 Ų | 121.1 | 57% | 0.566 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.8 | -36.2 | 176.7 | -67.3 | -172.9 | 177.4 | 111.3 | 1.6 | 111.9 | R182 A184 A190 A191 | R182-R187 PolarHBondContact O-NH1 2.78Å; A184-R187 PolarHBondContact O-N 2.95Å; A184-R187 VanDerWaalsContact O-N 3.16Å; R187-A190 PolarHBondContact O-N 2.92Å; R187-A191 WeakPolarHBondContact O-CB 2.99Å; R187-A191 PolarHBondContact O-N 3.42Å |
| 188 | A | 52.6 | Low | 48.9 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 56% | 0.562 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -64 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A192 | A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 3.49Å |
| 189 | L | 49.9 | Very low | 48.3 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 63% | 0.634 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.3 | -37.2 | 178.5 | -68.9 | 171.5 | 0 | 0 | 0 | 112.3 | M186 A192 A193 | M186-L189 PolarHBondContact O-N 2.76Å; L189-A192 PolarHBondContact O-N 2.78Å; L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.35Å; L189-A193 PolarHBondContact O-N 3.48Å |
| 190 | A | 50 | Low | 48.1 | Very low | 69 Ų | 69 | 117.4 Ų | 117.4 | 57% | 0.57 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | M186 R187 A193 A194 | M186-A190 PolarHBondContact O-N 2.91Å; M186-A190 VanDerWaalsContact O-N 3.1Å; R187-A190 PolarHBondContact O-N 2.92Å; A190-A193 PolarHBondContact O-N 2.02Å; A190-A194 PolarHBondContact O-N 3.45Å |
| 191 | A | 50.7 | Low | 47.3 | Very low | 72 Ų | 72 | 115.5 Ų | 115.5 | 60% | 0.595 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.2 | -35.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R187 | R187-A191 WeakPolarHBondContact O-CB 2.99Å; R187-A191 PolarHBondContact O-N 3.42Å |
| 192 | A | 47.2 | Very low | 46.7 | Very low | 62 Ų | 62 | 114.2 Ų | 114.2 | 51% | 0.512 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -74.4 | -32.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A188 L189 A194 V195 | A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 3.49Å; L189-A192 PolarHBondContact O-N 2.78Å; A192-A194 PolarHBondContact O-N 2.95Å; A192-V195 WeakPolarHBondContact O-CG2 3.18Å; A192-V195 PolarHBondContact O-N 3.01Å |
| 193 | A | 44.8 | Very low | 45.7 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -9.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L189 A190 V195 | L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.35Å; L189-A193 PolarHBondContact O-N 3.48Å; A190-A193 PolarHBondContact O-N 2.02Å; A193-V195 PolarHBondContact O-N 3.1Å |
| 194 | A | 44.3 | Very low | 44.9 | Very low | 79 Ų | 79 | 111.7 Ų | 111.7 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 8.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A190 A192 P196 | A190-A194 PolarHBondContact O-N 3.45Å; A192-A194 PolarHBondContact O-N 2.95Å; A194-P196 WeakPolarHBondContact O-CD 3.37Å |
| 195 | V | 42.3 | Very low | 43.9 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -87.7 | 112.8 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | A192 A193 A197 | A192-V195 WeakPolarHBondContact O-CG2 3.18Å; A192-V195 PolarHBondContact O-N 3.01Å; A193-V195 PolarHBondContact O-N 3.1Å; V195-A197 PolarHBondContact O-N 2.74Å |
| 196 | P | 38.6 | Very low | 43 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -71.8 | 111.2 | 171.6 | 28.7 | -32 | 0 | 0 | 0 | 109.8 | A194 | A194-P196 WeakPolarHBondContact O-CD 3.37Š| ||
| 197 | A | 37.2 | Very low | 42.3 | Very low | 93 Ų | 93 | 115.5 Ų | 115.5 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -69.6 | 146.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V195 G199 | V195-A197 PolarHBondContact O-N 2.74Å; A197-G199 PolarHBondContact O-N 2.84Å | ||
| 198 | L | 36.1 | Very low | 41.7 | Very low | 180 Ų | 180 | 116.5 Ų | 116.5 | 94% | 0.942 | 74% | 0.739 | S | S | * | * | trans | -67.4 | 128 | -168.3 | -68.8 | 90.9 | 0 | 0 | 0 | 113.6 | ||||
| 199 | G | 33.5 | Very low | 41 | Very low | 71 Ų | 71 | 124.3 Ų | 124.3 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | -113.7 | 126.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A197 T201 | A197-G199 PolarHBondContact O-N 2.84Å; G199-T201 PolarHBondContact O-N 3.24Å | ||
| 200 | A | 43.2 | Very low | 40.7 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -80.9 | 110 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 201 | T | 33.6 | Very low | 40.5 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -143.4 | 138.6 | 147.4 | 43.7 | 0 | 0 | 0 | 0 | 110.3 | G199 S203 | G199-T201 PolarHBondContact O-N 3.24Å; T201-S203 PolarHBondContact O-N 2.94Å | ||
| 202 | S | 41.8 | Very low | 40.4 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 88% | 0.881 | 75% | 0.751 | S | S | * | * | trans | -69.8 | 121.1 | -172.5 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 203 | S | 35.1 | Very low | 40.9 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -142.5 | 133.4 | 152.2 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | T201 N205 | T201-S203 PolarHBondContact O-N 2.94Å; S203-N205 PolarHBondContact O-N 3.47Å | ||
| 204 | I | 40.2 | Very low | 41.5 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | trans | -77.5 | 103.3 | -179 | -62.9 | 160.9 | 0 | 0 | 0 | 107.1 | ||||
| 205 | N | 35.1 | Very low | 42.2 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | trans | -122 | 120.8 | 171.5 | -99.1 | -45.9 | 0 | 0 | 0 | 110.2 | S203 Q207 | S203-N205 PolarHBondContact O-N 3.47Å; N205-Q207 PolarHBondContact O-N 3.33Å | ||
| 206 | Q | 36.9 | Very low | 43.4 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 84% | 0.836 | 70% | 0.696 | S | S | * | * | trans | -63.4 | 117.1 | 179.1 | -69.8 | 165.7 | -35.4 | 0 | 0 | 109.1 | Q208 | Q206-Q208 PolarHBondContact O-N 2.77Š| ||
| 207 | Q | 39.4 | Very low | 44.8 | Very low | 194 Ų | 194 | 120.8 Ų | 120.8 | 91% | 0.907 | 67% | 0.666 | S | S | * | * | trans | -67.9 | 84.1 | 163 | -77.4 | 177.1 | -40.9 | 0 | 0 | 108.4 | N205 R209 | N205-Q207 PolarHBondContact O-N 3.33Å; Q207-R209 PolarHBondContact O-N 2.8Å | ||
| 208 | Q | 43.3 | Very low | 46.3 | Very low | 171 Ų | 171 | 120.8 Ų | 120.8 | 80% | 0.799 | 65% | 0.652 | S | S | * | * | trans | -61.9 | 101.6 | 172.8 | -175.8 | 167 | -9.9 | 0 | 0 | 107.8 | Q206 E210 | Q206-Q208 PolarHBondContact O-N 2.77Å; Q208-E210 PolarHBondContact O-N 2.87Å | ||
| 209 | R | 37.5 | Very low | 47.8 | Very low | 232 Ų | 232 | 114.9 Ų | 114.9 | 88% | 0.875 | 62% | 0.62 | S | S | * | * | trans | -57.2 | 102.9 | 169.9 | -72.8 | 177.1 | 172.5 | 165 | -2.9 | 107.4 | Q207 T211 | Q207-R209 PolarHBondContact O-N 2.8Å; R209-T211 PolarHBondContact O-N 2.82Å | ||
| 210 | E | 45.1 | Very low | 49.2 | Very low | 145 Ų | 145 | 115.2 Ų | 115.2 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | trans | -58.1 | 111.6 | 173.6 | -70.8 | -156.5 | 163.1 | 0 | 0 | 108.2 | Q208 R213 | Q208-E210 PolarHBondContact O-N 2.87Å; E210-R213 IonicContact OE1-NH2 3.85Å; E210-R213 IonicContact OE2-NH2 3.02Å; E210-R213 PolarHBondContact OE2-NH2 3.05Å | ||
| 211 | T | 43.8 | Very low | 49.9 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 56% | 0.564 | 57% | 0.573 | S | S | * | * | trans | -66.6 | 133.8 | 179.3 | 47.4 | 0 | 0 | 0 | 0 | 108.7 | R209 R213 | R209-T211 PolarHBondContact O-N 2.82Å; T211-R213 PolarHBondContact O-N 3.14Å | ||
| 212 | P | 49.4 | Very low | 50.9 | Low | 75 Ų | 75 | 105.2 Ų | 105.2 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | trans | -58.3 | 141.5 | -178.2 | 21.2 | -31.6 | 0 | 0 | 0 | 111 | V214 P244 I247 | P212-V214 PolarHBondContact O-N 2.71Å; P212-P244 HydrophobicContact CB-CG 4.28Å; P212-I247 HydrophobicContact CB-CD1 3.41Å; P212-I247 VanDerWaalsContact CB-CD1 3.41Å; P212-I247 HydrophobicContact CG-CD1 3.66Å | ||
| 213 | R | 58.2 | Low | 51.3 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 27% | 0.268 | 53% | 0.53 | S | S | . | . | trans | -79.9 | 80.1 | -163.1 | -65.4 | 175.7 | -175.8 | -68 | -5.4 | 111 | G168 M169 E210 T211 | G168-R213 PolarHBondContact O-NH1 3.17Å; M169-R213 HydrophobicContact CE-CB 4.03Å; M169-R213 HydrophobicContact CE-CG 4.33Å; M169-R213 HydrophobicContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CB 3.54Å; M169-R213 VanDerWaalsContact SD-CD 3.56Å; M169-R213 HydrophobicContact SD-CG 3.49Å; M169-R213 WeakPolarHBondContact SD-CG 3.32Å; M169-R213 PolarHBondContact SD-NH1 3.48Å; E210-R213 IonicContact OE1-NH2 3.85Å; E210-R213 IonicContact OE2-NH2 3.02Å; E210-R213 PolarHBondContact OE2-NH2 3.05Å; T211-R213 PolarHBondContact O-N 3.14Å | ||
| 214 | V | 56.2 | Low | 52.2 | Low | 51 Ų | 51 | 106.2 Ų | 106.2 | 31% | 0.309 | 53% | 0.533 | S | S | . | . | trans | -103.4 | 119.4 | -175.1 | 176 | 0 | 0 | 0 | 0 | 110.8 | P212 I216 I242 V243 | P212-V214 PolarHBondContact O-N 2.71Å; V214-I216 HydrophobicContact CG1-CD1 3.7Å; V214-I216 HydrophobicContact CG1-CG1 3.66Å; V214-I242 WeakPolarHBondContact CA-O 3.42Å; V214-V243 HydrophobicContact CB-CG1 4.37Å; V214-V243 HydrophobicContact CG1-CG1 3.85Å; V214-V243 HydrophobicContact CG2-CG1 3.92Å | ||
| 215 | R | 60.3 | Low | 52.7 | Low | 60 Ų | 60 | 100.9 Ų | 100.9 | 23% | 0.226 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.6 | 166.2 | -56.6 | 176.4 | 174.3 | -162.3 | -6.6 | 107.9 | G132 W217 A241 I242 | G132-R215 PolarHBondContact O-NH1 2.75Å; G132-R215 PolarHBondContact O-NH2 3.06Å; G132-R215 VanDerWaalsContact O-NH2 3.12Å; R215-W217 HydrophobicContact CB-CZ3 4.44Å; R215-A241 CarbonylContact O-C 3.54Å; R215-A241 VanDerWaalsContact O-CA 3.23Å; R215-A241 WeakPolarHBondContact O-CA 3.3Å; R215-I242 HydrophobicContact CB-CB 4.21Å; R215-I242 PolarHBondContact N-O 2.89Å; R215-I242 PolarHBondContact O-N 3.37Å |
| 216 | I | 67.1 | Low | 53.5 | Low | 106 Ų | 106 | 97.6 Ų | 97.6 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.6 | 174.2 | -59.8 | 166.5 | 0 | 0 | 0 | 107.5 | V214 V239 R240 A241 | V214-I216 HydrophobicContact CG1-CD1 3.7Å; V214-I216 HydrophobicContact CG1-CG1 3.66Å; I216-V239 HydrophobicContact CG2-CG1 3.92Å; I216-R240 WeakPolarHBondContact CA-O 3.35Å; I216-A241 HydrophobicContact CG1-CB 3.9Å |
| 217 | W | 67.1 | Low | 54.4 | Low | 38 Ų | 38 | 91.3 Ų | 91.3 | 14% | 0.144 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 159.8 | 170.5 | 67.5 | 103.9 | 0 | 0 | 0 | 110.4 | P128 R215 E219 R240 I242 | P128-W217 HydrophobicContact CG-CZ2 4.28Å; R215-W217 HydrophobicContact CB-CZ3 4.44Å; W217-E219 PolarHBondContact NE1-OE1 2.89Å; W217-R240 HydrophobicContact CD2-CB 3.85Å; W217-R240 VanDerWaalsContact CE2-CB 3.45Å; W217-R240 HydrophobicContact CE3-CB 4.24Å; W217-R240 HydrophobicContact CG-CB 4.45Å; W217-R240 HydrophobicContact CH2-CB 3.93Å; W217-R240 HydrophobicContact CZ2-CB 3.52Å; W217-R240 HydrophobicContact CZ2-CG 4.23Å; W217-R240 HydrophobicContact CZ3-CB 4.27Å; W217-R240 PolarHBondContact N-O 2.8Å; W217-R240 PolarHBondContact O-N 2.9Å; W217-I242 HydrophobicContact CH2-CD1 3.77Å; W217-I242 HydrophobicContact CH2-CG1 3.92Å; W217-I242 HydrophobicContact CZ3-CD1 3.75Å; W217-I242 HydrophobicContact CZ3-CG1 3.84Å |
| 218 | L | 69.4 | Low | 55.5 | Low | 93 Ų | 93 | 86 Ų | 86 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.7 | -178.9 | 179.1 | 71.2 | 0 | 0 | 0 | 109.2 | L220 L237 V239 | L218-L220 HydrophobicContact CD2-CD1 4.07Å; L218-L220 HydrophobicContact CG-CD1 4.12Å; L218-L237 HydrophobicContact CD1-CB 4.37Å; L218-V239 HydrophobicContact CD1-CG2 3.67Å |
| 219 | E | 67.1 | Low | 56.5 | Low | 56 Ų | 56 | 81 Ų | 81 | 26% | 0.262 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.8 | 172.6 | -73.6 | 171.3 | -161.2 | 0 | 0 | 109.2 | W217 T238 R240 | W217-E219 PolarHBondContact NE1-OE1 2.89Å; E219-T238 WeakPolarHBondContact CB-OG1 3.45Å; E219-T238 PolarHBondContact N-O 2.87Å; E219-T238 PolarHBondContact O-N 3.06Å; E219-T238 PolarHBondContact O-OG1 2.86Å; E219-R240 VanDerWaalsContact CD-CZ 3.47Å; E219-R240 VanDerWaalsContact CD-NH1 3.27Å; E219-R240 VanDerWaalsContact OE1-CD 3.29Å; E219-R240 WeakPolarHBondContact OE1-CD 3.38Å; E219-R240 IonicContact OE1-CZ 3.92Å; E219-R240 VanDerWaalsContact OE1-CZ 3.31Å; E219-R240 IonicContact OE1-NE 2.93Å; E219-R240 PolarHBondContact OE1-NE 3.13Å; E219-R240 IonicContact OE1-NH1 3.31Å; E219-R240 PolarHBondContact OE1-NH1 2.92Å; E219-R240 IonicContact OE2-CZ 3.31Å; E219-R240 IonicContact OE2-NE 2.72Å; E219-R240 PolarHBondContact OE2-NE 3.41Å; E219-R240 VanDerWaalsContact OE2-NE 3.12Å; E219-R240 IonicContact OE2-NH1 3.31Å; E219-R240 PolarHBondContact OE2-NH1 3.05Å; E219-R240 IonicContact OE2-NH2 3.49Å; E219-R240 PolarHBondContact OE2-NH2 2.77Å |
| 220 | L | 64.5 | Low | 57.9 | Low | 79 Ų | 79 | 77 Ų | 77 | 41% | 0.414 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 106.6 | 175.7 | -72.5 | 86.8 | 0 | 0 | 0 | 109.3 | L218 L237 | L218-L220 HydrophobicContact CD2-CD1 4.07Å; L218-L220 HydrophobicContact CG-CD1 4.12Å; L220-L237 HydrophobicContact CB-CD2 4.41Å; L220-L237 HydrophobicContact CD2-CD2 3.84Å; L220-L237 HydrophobicContact CG-CD2 3.64Å |
| 221 | G | 57.5 | Low | 58.9 | Low | 19 Ų | 19 | 75.6 Ų | 75.6 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 106.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T236 | G221-T236 PolarHBondContact N-O 3.08Å; G221-T236 PolarHBondContact O-N 3.26Å |
| 222 | G | 55 | Low | 59.9 | Low | 13 Ų | 13 | 74 Ų | 74 | 13% | 0.134 | 45% | 0.448 | C | S | . | . | trans | -69.4 | 174.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N224 G225 | G222-N224 PolarHBondContact O-N 2.8Å; G222-G225 PolarHBondContact O-N 3.07Å | ||
| 223 | P | 50.2 | Low | 60.7 | Low | 107 Ų | 107 | 72.6 Ų | 72.6 | 70% | 0.695 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19.8 | 177.5 | 21.5 | -32.8 | 0 | 0 | 0 | 114.3 | V233 | P223-V233 HydrophobicContact CG-CG1 4.19Š|
| 224 | N | 52.3 | Low | 61 | Low | 138 Ų | 138 | 72.4 Ų | 72.4 | 74% | 0.738 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 8.7 | 178.1 | -60.2 | -21.1 | 0 | 0 | 0 | 113.9 | G222 T226 | G222-N224 PolarHBondContact O-N 2.8Å; N224-T226 HydrophobicContact CB-CG2 4.4Å; N224-T226 PolarHBondContact O-N 3.27Å; N224-T226 VanDerWaalsContact O-N 3.08Å |
| 225 | G | 51.3 | Low | 61.4 | Low | 60 Ų | 60 | 70.6 Ų | 70.6 | 62% | 0.619 | 44% | 0.44 | S | S | * | . | trans | 67.2 | 5.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G222 | G222-G225 PolarHBondContact O-N 3.07Š| ||
| 226 | T | 51.4 | Low | 61.8 | Low | 71 Ų | 71 | 70.2 Ų | 70.2 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | trans | -75.5 | 136 | 179 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | N224 S228 | N224-T226 HydrophobicContact CB-CG2 4.4Å; N224-T226 PolarHBondContact O-N 3.27Å; N224-T226 VanDerWaalsContact O-N 3.08Å; T226-S228 PolarHBondContact O-N 3.43Å | ||
| 227 | G | 57.4 | Low | 61.9 | Low | 46 Ų | 46 | 66.5 Ų | 66.5 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -71.6 | 36.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 228 | S | 61.6 | Low | 61.9 | Low | 84 Ų | 84 | 66 Ų | 66 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | trans | -146.5 | 139.6 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 109 | T226 | T226-S228 PolarHBondContact O-N 3.43Š| ||
| 229 | V | 65.1 | Low | 61.9 | Low | 65 Ų | 65 | 62.8 Ų | 62.8 | 39% | 0.394 | 41% | 0.411 | S | S | . | . | trans | -123.5 | 138.1 | -172 | 167.7 | 0 | 0 | 0 | 0 | 110 | T235 A309 | V229-T235 HydrophobicContact CB-CG2 4.06Å; V229-T235 HydrophobicContact CG1-CG2 3.33Å; V229-T235 HydrophobicContact CG2-CG2 3.72Å; V229-A309 HydrophobicContact CG1-CB 4.47Å | ||
| 230 | E | 65.3 | Low | 61.9 | Low | 149 Ų | 149 | 64 Ų | 64 | 70% | 0.696 | 41% | 0.414 | S | S | * | . | trans | -90.4 | 143.3 | 172.5 | -67.5 | -178.5 | 177 | 0 | 0 | 111.2 | V233 | E230-V233 HydrophobicContact CB-CB 4.41Å; E230-V233 HydrophobicContact CB-CG2 3.8Å; E230-V233 PolarHBondContact O-N 3.17Å | ||
| 231 | V | 67.6 | Low | 61.8 | Low | 114 Ų | 114 | 60.6 Ų | 60.6 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 134.4 | 180 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | V233 | V231-V233 VanDerWaalsContact C-N 3.27Å; V231-V233 PolarHBondContact O-N 3Å |
| 232 | G | 63.9 | Low | 62.1 | Low | 59 Ų | 59 | 63.1 Ų | 63.1 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 233 | V | 66.8 | Low | 62.5 | Low | 46 Ų | 46 | 64 Ų | 64 | 28% | 0.279 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -85.9 | 137.3 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | P223 E230 V231 T235 | P223-V233 HydrophobicContact CG-CG1 4.19Å; E230-V233 HydrophobicContact CB-CB 4.41Å; E230-V233 HydrophobicContact CB-CG2 3.8Å; E230-V233 PolarHBondContact O-N 3.17Å; V231-V233 VanDerWaalsContact C-N 3.27Å; V231-V233 PolarHBondContact O-N 3Å; V233-T235 HydrophobicContact CG1-CG2 4.48Å; V233-T235 PolarHBondContact O-N 3.46Å |
| 234 | A | 64.4 | Low | 63 | Low | 67 Ų | 67 | 60.9 Ų | 60.9 | 55% | 0.554 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T308 | A234-T308 HydrophobicContact CB-CG2 4.32Å |
| 235 | T | 65.1 | Low | 63.2 | Low | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 157.1 | -176.9 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | V229 V233 A306 V307 | V229-T235 HydrophobicContact CB-CG2 4.06Å; V229-T235 HydrophobicContact CG1-CG2 3.33Å; V229-T235 HydrophobicContact CG2-CG2 3.72Å; V233-T235 HydrophobicContact CG1-CG2 4.48Å; V233-T235 PolarHBondContact O-N 3.46Å; T235-A306 CarbonylContact O-C 3.58Å; T235-A306 WeakPolarHBondContact O-CA 3.48Å; T235-V307 PolarHBondContact N-O 2.85Å; T235-V307 PolarHBondContact O-N 3.18Å; T235-V307 PolarHBondContact OG1-O 2.82Å; T235-V307 VanDerWaalsContact OG1-O 3.06Å |
| 236 | T | 67.4 | Low | 63.5 | Low | 52 Ų | 52 | 62 Ų | 62 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117.2 | -171.5 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | G221 T238 L305 | G221-T236 PolarHBondContact N-O 3.08Å; G221-T236 PolarHBondContact O-N 3.26Å; T236-T238 HydrophobicContact CG2-CG2 4.06Å; T236-L305 CarbonylContact C-O 3.53Å; T236-L305 WeakPolarHBondContact CA-O 3.47Å |
| 237 | L | 69.1 | Low | 63.9 | Low | 28 Ų | 28 | 61.2 Ų | 61.2 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 110.1 | 168.4 | -57.2 | 178.5 | 0 | 0 | 0 | 107.8 | L218 L220 L267 L305 V307 | L218-L237 HydrophobicContact CD1-CB 4.37Å; L220-L237 HydrophobicContact CB-CD2 4.41Å; L220-L237 HydrophobicContact CD2-CD2 3.84Å; L220-L237 HydrophobicContact CG-CD2 3.64Å; L237-L267 HydrophobicContact CD1-CD1 4.14Å; L237-L305 HydrophobicContact CB-CB 4.32Å; L237-L305 PolarHBondContact N-O 2.88Å; L237-L305 PolarHBondContact O-N 2.96Å; L237-V307 HydrophobicContact CD1-CG2 3.92Å; L237-V307 HydrophobicContact CG-CG2 4.25Å |
| 238 | T | 67.8 | Low | 64.1 | Low | 29 Ų | 29 | 62.7 Ų | 62.7 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 110.4 | 177.6 | 33.7 | 0 | 0 | 0 | 0 | 110.2 | E219 T236 | E219-T238 WeakPolarHBondContact CB-OG1 3.45Å; E219-T238 PolarHBondContact N-O 2.87Å; E219-T238 PolarHBondContact O-N 3.06Å; E219-T238 PolarHBondContact O-OG1 2.86Å; T236-T238 HydrophobicContact CG2-CG2 4.06Å |
| 239 | V | 68.6 | Low | 64.5 | Low | 24 Ų | 24 | 61.4 Ų | 61.4 | 15% | 0.145 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.7 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | I216 L218 V251 N303 | I216-V239 HydrophobicContact CG2-CG1 3.92Å; L218-V239 HydrophobicContact CD1-CG2 3.67Å; V239-V251 HydrophobicContact CB-CG2 3.93Å; V239-V251 HydrophobicContact CG1-CG2 4.1Å; V239-V251 HydrophobicContact CG2-CG1 4.37Å; V239-V251 HydrophobicContact CG2-CG2 3.87Å; V239-N303 PolarHBondContact N-O 2.79Å |
| 240 | R | 67.2 | Low | 64.9 | Low | 83 Ų | 83 | 67.4 Ų | 67.4 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.6 | 175.4 | -71.1 | -174.1 | 177 | 175.9 | -5.9 | 109.8 | I216 W217 E219 | I216-R240 WeakPolarHBondContact CA-O 3.35Å; W217-R240 HydrophobicContact CD2-CB 3.85Å; W217-R240 VanDerWaalsContact CE2-CB 3.45Å; W217-R240 HydrophobicContact CE3-CB 4.24Å; W217-R240 HydrophobicContact CG-CB 4.45Å; W217-R240 HydrophobicContact CH2-CB 3.93Å; W217-R240 HydrophobicContact CZ2-CB 3.52Å; W217-R240 HydrophobicContact CZ2-CG 4.23Å; W217-R240 HydrophobicContact CZ3-CB 4.27Å; W217-R240 PolarHBondContact N-O 2.8Å; W217-R240 PolarHBondContact O-N 2.9Å; E219-R240 VanDerWaalsContact CD-CZ 3.47Å; E219-R240 VanDerWaalsContact CD-NH1 3.27Å; E219-R240 VanDerWaalsContact OE1-CD 3.29Å; E219-R240 WeakPolarHBondContact OE1-CD 3.38Å; E219-R240 IonicContact OE1-CZ 3.92Å; E219-R240 VanDerWaalsContact OE1-CZ 3.31Å; E219-R240 IonicContact OE1-NE 2.93Å; E219-R240 PolarHBondContact OE1-NE 3.13Å; E219-R240 IonicContact OE1-NH1 3.31Å; E219-R240 PolarHBondContact OE1-NH1 2.92Å; E219-R240 IonicContact OE2-CZ 3.31Å; E219-R240 IonicContact OE2-NE 2.72Å; E219-R240 PolarHBondContact OE2-NE 3.41Å; E219-R240 VanDerWaalsContact OE2-NE 3.12Å; E219-R240 IonicContact OE2-NH1 3.31Å; E219-R240 PolarHBondContact OE2-NH1 3.05Å; E219-R240 IonicContact OE2-NH2 3.49Å; E219-R240 PolarHBondContact OE2-NH2 2.77Å |
| 241 | A | 62.4 | Low | 65.3 | Low | 6 Ų | 6 | 61.6 Ų | 61.6 | 5% | 0.05 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 131.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R215 I216 V243 V249 | R215-A241 CarbonylContact O-C 3.54Å; R215-A241 VanDerWaalsContact O-CA 3.23Å; R215-A241 WeakPolarHBondContact O-CA 3.3Å; I216-A241 HydrophobicContact CG1-CB 3.9Å; A241-V243 HydrophobicContact CB-CG1 4.41Å; A241-V249 HydrophobicContact CB-CB 4.47Å; A241-V249 HydrophobicContact CB-CG1 4.03Å; A241-V249 HydrophobicContact CB-CG2 3.85Å |
| 242 | I | 63.7 | Low | 65.9 | Low | 73 Ų | 73 | 59 Ų | 59 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113.2 | 166 | -62.4 | 161.6 | 0 | 0 | 0 | 106.3 | V214 R215 W217 | V214-I242 WeakPolarHBondContact CA-O 3.42Å; R215-I242 HydrophobicContact CB-CB 4.21Å; R215-I242 PolarHBondContact N-O 2.89Å; R215-I242 PolarHBondContact O-N 3.37Å; W217-I242 HydrophobicContact CH2-CD1 3.77Å; W217-I242 HydrophobicContact CH2-CG1 3.92Å; W217-I242 HydrophobicContact CZ3-CD1 3.75Å; W217-I242 HydrophobicContact CZ3-CG1 3.84Å |
| 243 | V | 63.6 | Low | 66.5 | Low | 32 Ų | 32 | 59 Ų | 59 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | trans | -126.6 | 152.4 | 179.6 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | V214 A241 I247 V249 | V214-V243 HydrophobicContact CB-CG1 4.37Å; V214-V243 HydrophobicContact CG1-CG1 3.85Å; V214-V243 HydrophobicContact CG2-CG1 3.92Å; A241-V243 HydrophobicContact CB-CG1 4.41Å; V243-I247 HydrophobicContact CB-CB 4.35Å; V243-I247 HydrophobicContact CB-CG2 4.43Å; V243-I247 HydrophobicContact CG1-CG2 4.45Å; V243-I247 WeakPolarHBondContact CG2-O 3.32Å; V243-V249 HydrophobicContact CB-CG2 4.26Å; V243-V249 HydrophobicContact CG1-CG2 3.41Å; V243-V249 VanDerWaalsContact CG1-CG2 3.41Å; V243-V249 HydrophobicContact CG2-CG2 3.84Å | ||
| 244 | P | 61.3 | Low | 67 | Low | 40 Ų | 40 | 58.3 Ų | 58.3 | 26% | 0.26 | 35% | 0.351 | S | S | . | . | trans | -57.2 | 142.5 | 164.6 | -24 | 35.5 | 0 | 0 | 0 | 111.5 | P212 N246 I247 | P212-P244 HydrophobicContact CB-CG 4.28Å; P244-N246 WeakPolarHBondContact CB-OD1 3.24Å; P244-N246 PolarHBondContact O-N 2.9Å; P244-I247 HydrophobicContact CG-CD1 4.34Å; P244-I247 PolarHBondContact O-N 3.25Å | ||
| 245 | G | 56.1 | Low | 67.6 | Low | 79 Ų | 79 | 57.5 Ų | 57.5 | 81% | 0.814 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -4.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 246 | N | 58.2 | Low | 68.1 | Low | 143 Ų | 143 | 59 Ų | 59 | 77% | 0.765 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 6 | 171.6 | 65.5 | -35 | 0 | 0 | 0 | 113.6 | P244 | P244-N246 WeakPolarHBondContact CB-OD1 3.24Å; P244-N246 PolarHBondContact O-N 2.9Å |
| 247 | I | 60 | Low | 68.3 | Low | 55 Ų | 55 | 61 Ų | 61 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | trans | -123 | 122.2 | -176.7 | -61.8 | 179.2 | 0 | 0 | 0 | 109.6 | P212 V243 P244 | P212-I247 HydrophobicContact CB-CD1 3.41Å; P212-I247 VanDerWaalsContact CB-CD1 3.41Å; P212-I247 HydrophobicContact CG-CD1 3.66Å; V243-I247 HydrophobicContact CB-CB 4.35Å; V243-I247 HydrophobicContact CB-CG2 4.43Å; V243-I247 HydrophobicContact CG1-CG2 4.45Å; V243-I247 WeakPolarHBondContact CG2-O 3.32Å; P244-I247 HydrophobicContact CG-CD1 4.34Å; P244-I247 PolarHBondContact O-N 3.25Å | ||
| 248 | G | 61.5 | Low | 68.3 | Low | 76 Ų | 76 | 63.2 Ų | 63.2 | 78% | 0.784 | 38% | 0.378 | S | S | * | . | trans | -84.6 | 146.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 249 | V | 69.4 | Low | 68.1 | Low | 57 Ų | 57 | 62 Ų | 62 | 35% | 0.345 | 37% | 0.372 | S | S | . | . | trans | -108.2 | 133.4 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | A241 V243 | A241-V249 HydrophobicContact CB-CB 4.47Å; A241-V249 HydrophobicContact CB-CG1 4.03Å; A241-V249 HydrophobicContact CB-CG2 3.85Å; V243-V249 HydrophobicContact CB-CG2 4.26Å; V243-V249 HydrophobicContact CG1-CG2 3.41Å; V243-V249 VanDerWaalsContact CG1-CG2 3.41Å; V243-V249 HydrophobicContact CG2-CG2 3.84Å | ||
| 250 | R | 73.5 | Confident | 67.7 | Low | 192 Ų | 192 | 64.8 Ų | 64.8 | 73% | 0.725 | 39% | 0.386 | S | S | * | . | trans | -137.8 | 132.6 | 170.3 | -178.1 | 172.7 | 63.1 | -123.7 | -0.9 | 108.8 | V252 | R250-V252 HydrophobicContact CG-CG1 4.07Š| ||
| 251 | V | 74.4 | Confident | 67.4 | Low | 26 Ų | 26 | 62.7 Ų | 62.7 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | trans | -82.8 | 131.8 | 173.1 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | V239 C254 L268 G272 | V239-V251 HydrophobicContact CB-CG2 3.93Å; V239-V251 HydrophobicContact CG1-CG2 4.1Å; V239-V251 HydrophobicContact CG2-CG1 4.37Å; V239-V251 HydrophobicContact CG2-CG2 3.87Å; V251-C254 HydrophobicContact CG1-CB 4.5Å; V251-L268 HydrophobicContact CB-CD1 4.22Å; V251-L268 HydrophobicContact CG1-CD1 3.87Å; V251-G272 WeakPolarHBondContact O-CA 3.4Å | ||
| 252 | V | 80 | Confident | 67.5 | Low | 61 Ų | 61 | 70.5 Ų | 70.5 | 37% | 0.37 | 43% | 0.425 | S | S | . | . | trans | -142.2 | 159.5 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | R250 C254 | R250-V252 HydrophobicContact CG-CG1 4.07Å; V252-C254 VanDerWaalsContact C-N 3.27Å; V252-C254 PolarHBondContact O-N 2.79Å | ||
| 253 | D | 76.9 | Confident | 67.5 | Low | 57 Ų | 57 | 70.5 Ų | 70.5 | 31% | 0.305 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 52.4 | 40.8 | 172.3 | -150.1 | 15.2 | 0 | 0 | 0 | 113.8 | Q266 L268 D269 R452 | D253-Q266 PolarHBondContact OD1-NE2 3.06Å; D253-L268 WeakPolarHBondContact CA-O 3.49Å; D253-D269 PolarHBondContact N-O 3.45Å; D253-R452 IonicContact OD2-CZ 3.72Å; D253-R452 IonicContact OD2-NE 3.5Å; D253-R452 PolarHBondContact OD2-NE 2.85Å; D253-R452 IonicContact OD2-NH2 3.82Å; D253-R452 PolarHBondContact OD2-NH2 3.23Å |
| 254 | C | 76.4 | Confident | 68 | Low | 32 Ų | 32 | 73.7 Ų | 73.7 | 22% | 0.216 | 45% | 0.451 | C | S | . | . | trans | -80.3 | 127.5 | -179.1 | -175.2 | 0 | 0 | 0 | 0 | 110 | V251 V252 L267 L268 | V251-C254 HydrophobicContact CG1-CB 4.5Å; V252-C254 VanDerWaalsContact C-N 3.27Å; V252-C254 PolarHBondContact O-N 2.79Å; C254-L267 PolarHBondContact O-N 3.39Å; C254-L268 HydrophobicContact CB-CB 3.9Å; C254-L268 HydrophobicContact CB-CD1 3.9Å; C254-L268 HydrophobicContact CB-CG 3.84Å; C254-L268 PolarHBondContact N-O 2.87Å; C254-L268 PolarHBondContact O-N 2.85Å | ||
| 255 | A | 76.7 | Confident | 68.7 | Low | 51 Ų | 51 | 76.2 Ų | 76.2 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q265 Q266 | A255-Q265 CarbonylContact C-O 3.46Å; A255-Q265 WeakPolarHBondContact CA-O 3.33Å; A255-Q266 HydrophobicContact CB-CG 4.47Å |
| 256 | A | 75.2 | Confident | 69.6 | Low | 42 Ų | 42 | 76.8 Ų | 76.8 | 35% | 0.347 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 141.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T264 Q265 L267 | A256-T264 WeakPolarHBondContact O-CA 3.5Å; A256-Q265 PolarHBondContact N-O 3.08Å; A256-Q265 PolarHBondContact O-N 3.21Å; A256-L267 HydrophobicContact CB-CD1 4.45Å |
| 257 | L | 72.8 | Confident | 70.5 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.7 | 178.3 | -58.6 | 175.5 | 0 | 0 | 0 | 109.5 | G259 T264 | L257-G259 PolarHBondContact O-N 2.97Å; L257-T264 HydrophobicContact CD2-CG2 3.52Å |
| 258 | D | 69 | Low | 71.3 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 39% | 0.39 | 40% | 0.395 | S | S | . | . | trans | -71.5 | -6.1 | 172.2 | 64.9 | 5.9 | 0 | 0 | 0 | 114.2 | L260 G261 E262 S263 | D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 3.4Å; D258-L260 WeakPolarHBondContact OD1-CA 3.35Å; D258-L260 PolarHBondContact OD1-N 2.82Å; D258-G261 PolarHBondContact OD1-N 3Å; D258-E262 PolarHBondContact OD1-N 2.83Å; D258-S263 PolarHBondContact N-O 2.89Å; D258-S263 WeakPolarHBondContact OD2-CB 2.98Å; D258-S263 PolarHBondContact OD2-N 2.98Å | ||
| 259 | G | 62.6 | Low | 72.1 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 88.7 | -31 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D98 F99 L257 G261 | D98-G259 CarbonylContact C-O 3.59Å; D98-G259 CarbonylContact O-C 3.57Å; F99-G259 WeakPolarHBondContact CA-O 3.41Å; F99-G259 WeakPolarHBondContact CD1-O 3.32Å; F99-G259 WeakPolarHBondContact CE1-O 3.37Å; F99-G259 WeakPolarHBondContact CG-O 3.48Å; L257-G259 PolarHBondContact O-N 2.97Å; G259-G261 VanDerWaalsContact C-N 3.33Å |
| 260 | L | 60 | Low | 72.7 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -78.3 | -20 | 176.8 | -64.6 | 176.1 | 0 | 0 | 0 | 112.5 | P100 D258 E262 | P100-L260 HydrophobicContact CG-CD2 3.76Å; D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 3.4Å; D258-L260 WeakPolarHBondContact OD1-CA 3.35Å; D258-L260 PolarHBondContact OD1-N 2.82Å; L260-E262 VanDerWaalsContact C-N 3.32Å |
| 261 | G | 61.3 | Low | 72.9 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 80.9 | 12.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D258 G259 | D258-G261 PolarHBondContact OD1-N 3Å; G259-G261 VanDerWaalsContact C-N 3.33Å |
| 262 | E | 64.1 | Low | 72.9 | Confident | 171 Ų | 171 | 66.1 Ų | 66.1 | 80% | 0.799 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -91.8 | -38.7 | -177.3 | -173.4 | 168.5 | -162.1 | 0 | 0 | 111.4 | D258 L260 | D258-E262 PolarHBondContact OD1-N 2.83Å; L260-E262 VanDerWaalsContact C-N 3.32Å |
| 263 | S | 65.6 | Low | 72.7 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | trans | -115.7 | 127.7 | 174 | -172.1 | 0 | 0 | 0 | 0 | 112 | D258 | D258-S263 PolarHBondContact N-O 2.89Å; D258-S263 WeakPolarHBondContact OD2-CB 2.98Å; D258-S263 PolarHBondContact OD2-N 2.98Å | ||
| 264 | T | 72.1 | Confident | 72.7 | Confident | 99 Ų | 99 | 66.3 Ų | 66.3 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.3 | 177.1 | 68.2 | 0 | 0 | 0 | 0 | 108.5 | A256 L257 | A256-T264 WeakPolarHBondContact O-CA 3.5Å; L257-T264 HydrophobicContact CD2-CG2 3.52Å |
| 265 | Q | 76.3 | Confident | 72.6 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 108 | 175.1 | -174.4 | 175.4 | 11.5 | 0 | 0 | 109.3 | A255 A256 | A255-Q265 CarbonylContact C-O 3.46Å; A255-Q265 WeakPolarHBondContact CA-O 3.33Å; A256-Q265 PolarHBondContact N-O 3.08Å; A256-Q265 PolarHBondContact O-N 3.21Å |
| 266 | Q | 74.6 | Confident | 72.2 | Confident | 90 Ų | 90 | 70 Ų | 70 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130 | 178.6 | -154.4 | 176.9 | 9 | 0 | 0 | 110 | D253 A255 L268 I275 | D253-Q266 PolarHBondContact OD1-NE2 3.06Å; A255-Q266 HydrophobicContact CB-CG 4.47Å; Q266-L268 WeakPolarHBondContact CG-O 3.3Å; Q266-I275 HydrophobicContact CB-CD1 3.58Å; Q266-I275 HydrophobicContact CG-CD1 3.46Å; Q266-I275 VanDerWaalsContact CG-CD1 3.46Å |
| 267 | L | 77.5 | Confident | 71.4 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | trans | -102.8 | -42.1 | -178.5 | -58 | 177.6 | 0 | 0 | 0 | 111 | L237 C254 A256 I275 L279 | L237-L267 HydrophobicContact CD1-CD1 4.14Å; C254-L267 PolarHBondContact O-N 3.39Å; A256-L267 HydrophobicContact CB-CD1 4.45Å; L267-I275 PolarHBondContact O-N 2.71Å; L267-I275 VanDerWaalsContact O-N 3.07Å; L267-L279 HydrophobicContact CB-CD1 4.18Å; L267-L279 HydrophobicContact CD2-CD1 4.2Å; L267-L279 HydrophobicContact CD2-CD2 4.19Å; L267-L279 VanDerWaalsContact O-CD1 3.24Å; L267-L279 WeakPolarHBondContact O-CD1 3.5Å | ||
| 268 | L | 77.6 | Confident | 70.6 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 141.4 | 175.3 | -57.9 | -179.5 | 0 | 0 | 0 | 110.8 | V251 D253 C254 Q266 C273 P274 L305 | V251-L268 HydrophobicContact CB-CD1 4.22Å; V251-L268 HydrophobicContact CG1-CD1 3.87Å; D253-L268 WeakPolarHBondContact CA-O 3.49Å; C254-L268 HydrophobicContact CB-CB 3.9Å; C254-L268 HydrophobicContact CB-CD1 3.9Å; C254-L268 HydrophobicContact CB-CG 3.84Å; C254-L268 PolarHBondContact N-O 2.87Å; C254-L268 PolarHBondContact O-N 2.85Å; Q266-L268 WeakPolarHBondContact CG-O 3.3Å; L268-C273 CarbonylContact C-O 3.53Å; L268-C273 VanDerWaalsContact CA-O 3.29Å; L268-C273 WeakPolarHBondContact CA-O 3.29Å; L268-P274 HydrophobicContact CD2-CB 4.33Å; L268-L305 HydrophobicContact CD1-CD1 3.89Å; L268-L305 HydrophobicContact CD1-CD2 4.31Å; L268-L305 HydrophobicContact CD2-CD2 4.3Å; L268-L305 HydrophobicContact CG-CD1 4.4Å |
| 269 | D | 78.3 | Confident | 70 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 14% | 0.139 | 41% | 0.412 | C | S | . | . | trans | -71.6 | 175.1 | 172.2 | 84.6 | -10.8 | 0 | 0 | 0 | 112.5 | D253 R271 G272 C273 I275 | D253-D269 PolarHBondContact N-O 3.45Å; D269-R271 PolarHBondContact O-N 3.24Å; D269-R271 VanDerWaalsContact OD1-CA 3.3Å; D269-R271 WeakPolarHBondContact OD1-CA 3.47Å; D269-R271 WeakPolarHBondContact OD1-CB 3.36Å; D269-R271 PolarHBondContact OD1-N 3.45Å; D269-R271 IonicContact OD2-CZ 2.78Å; D269-R271 IonicContact OD2-NE 3.21Å; D269-R271 PolarHBondContact OD2-NE 2.98Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 3.06Å; D269-G272 PolarHBondContact O-N 3Å; D269-G272 PolarHBondContact OD1-N 2.78Å; D269-C273 PolarHBondContact N-O 2.9Å; D269-C273 PolarHBondContact OD1-N 2.8Å; D269-I275 HydrophobicContact CB-CG1 4.34Å | ||
| 270 | A | 82.6 | Confident | 69.6 | Low | 72 Ų | 72 | 80.3 Ų | 80.3 | 60% | 0.595 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -8.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 271 | R | 77.6 | Confident | 69 | Low | 186 Ų | 186 | 78.7 Ų | 78.7 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -13.2 | 176.2 | -59.3 | 171.3 | -67 | -165.2 | 0.4 | 112.1 | D269 | D269-R271 PolarHBondContact O-N 3.24Å; D269-R271 VanDerWaalsContact OD1-CA 3.3Å; D269-R271 WeakPolarHBondContact OD1-CA 3.47Å; D269-R271 WeakPolarHBondContact OD1-CB 3.36Å; D269-R271 PolarHBondContact OD1-N 3.45Å; D269-R271 IonicContact OD2-CZ 2.78Å; D269-R271 IonicContact OD2-NE 3.21Å; D269-R271 PolarHBondContact OD2-NE 2.98Å; D269-R271 IonicContact OD2-NH2 3.48Å; D269-R271 PolarHBondContact OD2-NH2 3.06Å |
| 272 | G | 73.4 | Confident | 68.2 | Low | 23 Ų | 23 | 85.5 Ų | 85.5 | 24% | 0.237 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 93.8 | 16 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | V251 D269 | V251-G272 WeakPolarHBondContact O-CA 3.4Å; D269-G272 PolarHBondContact O-N 3Å; D269-G272 PolarHBondContact OD1-N 2.78Å |
| 273 | C | 75.6 | Confident | 67.2 | Low | 63 Ų | 63 | 83.8 Ų | 83.8 | 43% | 0.426 | 44% | 0.438 | S | S | . | . | trans | -85.6 | 139.7 | 174.9 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | L268 D269 | L268-C273 CarbonylContact C-O 3.53Å; L268-C273 VanDerWaalsContact CA-O 3.29Å; L268-C273 WeakPolarHBondContact CA-O 3.29Å; D269-C273 PolarHBondContact N-O 2.9Å; D269-C273 PolarHBondContact OD1-N 2.8Å | ||
| 274 | P | 78.2 | Confident | 66 | Low | 59 Ų | 59 | 88.5 Ų | 88.5 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 139.3 | 172.7 | 26.2 | -32.6 | 0 | 0 | 0 | 111.3 | L268 L279 | L268-P274 HydrophobicContact CD2-CB 4.33Å; P274-L279 HydrophobicContact CB-CB 3.85Å |
| 275 | I | 73.9 | Confident | 64.3 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -85.5 | -27.5 | 179.9 | -67 | 172.7 | 0 | 0 | 0 | 111.7 | Q266 L267 D269 | Q266-I275 HydrophobicContact CB-CD1 3.58Å; Q266-I275 HydrophobicContact CG-CD1 3.46Å; Q266-I275 VanDerWaalsContact CG-CD1 3.46Å; L267-I275 PolarHBondContact O-N 2.71Å; L267-I275 VanDerWaalsContact O-N 3.07Å; D269-I275 HydrophobicContact CB-CG1 4.34Å |
| 276 | D | 67.3 | Low | 62.5 | Low | 68 Ų | 68 | 89.8 Ų | 89.8 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -117.9 | 137.8 | 178.4 | -177.1 | -12.4 | 0 | 0 | 0 | 109.6 | Q278 L279 | D276-Q278 PolarHBondContact O-N 3.2Å; D276-Q278 WeakPolarHBondContact OD1-CG 3.39Å; D276-Q278 PolarHBondContact OD1-N 2.93Å; D276-L279 HydrophobicContact CB-CD1 3.91Å; D276-L279 HydrophobicContact CB-CG 4.03Å; D276-L279 WeakPolarHBondContact O-CB 3.39Å; D276-L279 PolarHBondContact O-N 2.67Å |
| 277 | E | 58.1 | Low | 60.6 | Low | 198 Ų | 198 | 91.2 Ų | 91.2 | 93% | 0.925 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.5 | 179 | -162.4 | 170.3 | -163 | 0 | 0 | 112.4 | L279 | E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 2.76Å |
| 278 | Q | 56.8 | Low | 58.5 | Low | 124 Ų | 124 | 95.4 Ų | 95.4 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -18.3 | 170.3 | -59.9 | -170.6 | 7 | 0 | 0 | 113.5 | D276 N280 | D276-Q278 PolarHBondContact O-N 3.2Å; D276-Q278 WeakPolarHBondContact OD1-CG 3.39Å; D276-Q278 PolarHBondContact OD1-N 2.93Å; Q278-N280 PolarHBondContact O-N 2.96Å; Q278-N280 VanDerWaalsContact O-N 3.17Å |
| 279 | L | 55.9 | Low | 56.8 | Low | 17 Ų | 17 | 100.4 Ų | 100.4 | 9% | 0.089 | 55% | 0.553 | C | S | . | * | trans | -85.8 | 85.5 | -177.8 | -59.6 | 170.7 | 0 | 0 | 0 | 111.3 | L267 P274 D276 E277 C281 V307 | L267-L279 HydrophobicContact CB-CD1 4.18Å; L267-L279 HydrophobicContact CD2-CD1 4.2Å; L267-L279 HydrophobicContact CD2-CD2 4.19Å; L267-L279 VanDerWaalsContact O-CD1 3.24Å; L267-L279 WeakPolarHBondContact O-CD1 3.5Å; P274-L279 HydrophobicContact CB-CB 3.85Å; D276-L279 HydrophobicContact CB-CD1 3.91Å; D276-L279 HydrophobicContact CB-CG 4.03Å; D276-L279 WeakPolarHBondContact O-CB 3.39Å; D276-L279 PolarHBondContact O-N 2.67Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 2.76Å; L279-C281 PolarHBondContact O-N 2.97Å; L279-V307 HydrophobicContact CD2-CB 4.09Å; L279-V307 HydrophobicContact CD2-CG1 3.7Å; L279-V307 HydrophobicContact CD2-CG2 3.84Å | ||
| 280 | N | 54.5 | Low | 54.7 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 92.8 | -171.7 | -150.1 | -17.2 | 0 | 0 | 0 | 112.1 | Q278 R282 A306 | Q278-N280 PolarHBondContact O-N 2.96Å; Q278-N280 VanDerWaalsContact O-N 3.17Å; N280-R282 PolarHBondContact O-N 3.26Å; N280-A306 HydrophobicContact CB-CB 4.47Å; N280-A306 PolarHBondContact N-O 3.03Å; N280-A306 PolarHBondContact O-N 3.02Å |
| 281 | C | 47.4 | Very low | 52.2 | Low | 48 Ų | 48 | 107.5 Ų | 107.5 | 32% | 0.324 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 85.8 | 179.5 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | L279 L283 L305 | L279-C281 PolarHBondContact O-N 2.97Å; C281-L283 PolarHBondContact O-N 2.83Å; C281-L305 HydrophobicContact CB-CD2 4.21Å; C281-L305 WeakPolarHBondContact SG-CD2 3.36Å |
| 282 | R | 45.3 | Very low | 50.1 | Low | 180 Ų | 180 | 103.3 Ų | 103.3 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 90.1 | 175.9 | -77.2 | -167.6 | 170.3 | -164.9 | -2.8 | 112.2 | N280 K284 S304 | N280-R282 PolarHBondContact O-N 3.26Å; R282-K284 PolarHBondContact O-N 3.21Å; R282-K284 VanDerWaalsContact O-N 3.14Å; R282-S304 PolarHBondContact O-OG 2.88Å |
| 283 | L | 43.5 | Very low | 48.3 | Very low | 136 Ų | 136 | 110.4 Ų | 110.4 | 71% | 0.712 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.9 | 101.1 | 167.3 | -166.7 | 78.2 | 0 | 0 | 0 | 110 | C281 T285 | C281-L283 PolarHBondContact O-N 2.83Å; L283-T285 PolarHBondContact O-N 3.4Å |
| 284 | K | 38.8 | Very low | 46.1 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | trans | -104 | 58.1 | -167.8 | -156.2 | -170.3 | -177.7 | -173.6 | 0 | 114.7 | R282 | R282-K284 PolarHBondContact O-N 3.21Å; R282-K284 VanDerWaalsContact O-N 3.14Å | ||
| 285 | T | 37.3 | Very low | 44.4 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 72% | 0.718 | 66% | 0.659 | S | S | * | * | trans | 178.9 | 150.7 | 135.7 | 31.9 | 0 | 0 | 0 | 0 | 112.7 | L283 | L283-T285 PolarHBondContact O-N 3.4Š| ||
| 286 | P | 37.5 | Very low | 42.5 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 160.2 | 158.6 | 33.2 | -34.8 | 0 | 0 | 0 | 110.9 | ||
| 287 | P | 34.8 | Very low | 40.7 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 134.1 | 179.6 | 26.7 | -34.6 | 0 | 0 | 0 | 111.2 | A289 | P287-A289 PolarHBondContact O-N 2.84Š|
| 288 | P | 35 | Very low | 39.5 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 119.4 | 166.5 | 28 | -31.7 | 0 | 0 | 0 | 108.7 | L290 | P288-L290 HydrophobicContact CB-CD1 4.16Å; P288-L290 HydrophobicContact CB-CG 4.44Å; P288-L290 HydrophobicContact CG-CD1 4.39Å; P288-L290 PolarHBondContact O-N 3.25Å |
| 289 | A | 41.7 | Very low | 38.2 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 90% | 0.901 | 68% | 0.682 | S | S | * | * | trans | -67.8 | 102.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | P287 | P287-A289 PolarHBondContact O-N 2.84Š| ||
| 290 | L | 33.6 | Very low | 36.9 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | trans | -121.7 | 128 | 177.2 | -83.3 | 164.6 | 0 | 0 | 0 | 110.6 | P288 | P288-L290 HydrophobicContact CB-CD1 4.16Å; P288-L290 HydrophobicContact CB-CG 4.44Å; P288-L290 HydrophobicContact CG-CD1 4.39Å; P288-L290 PolarHBondContact O-N 3.25Å | ||
| 291 | S | 29.6 | Very low | 35.5 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | -59 | 156.1 | 178.5 | 40.5 | 0 | 0 | 0 | 0 | 112.6 | E293 | S291-E293 PolarHBondContact O-N 2.68Š| ||
| 292 | A | 34.1 | Very low | 34.8 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -68.5 | 13.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 293 | E | 34.7 | Very low | 34.3 | Very low | 172 Ų | 172 | 122.3 Ų | 122.3 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -133.6 | 67.5 | -177.5 | -65.9 | -160.9 | 146.6 | 0 | 0 | 112.3 | S291 | S291-E293 PolarHBondContact O-N 2.68Š| ||
| 294 | Q | 29.6 | Very low | 34 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | -154 | 80.4 | 151.3 | -161.7 | 69.4 | 4.3 | 0 | 0 | 110.3 | L296 | Q294-L296 VanDerWaalsContact C-N 3.33Å; Q294-L296 PolarHBondContact O-N 2.82Å | ||
| 295 | H | 42.8 | Very low | 34.1 | Very low | 182 Ų | 182 | 109.8 Ų | 109.8 | 84% | 0.843 | 62% | 0.618 | S | S | * | * | trans | -69.6 | 83.5 | 175.1 | -82.7 | -99.7 | 0 | 0 | 0 | 111.6 | ||||
| 296 | L | 35.4 | Very low | 34.3 | Very low | 163 Ų | 163 | 105.9 Ų | 105.9 | 85% | 0.853 | 60% | 0.598 | S | S | * | * | trans | 174.8 | 99.1 | 157.4 | -98.6 | 150.3 | 0 | 0 | 0 | 108.6 | Q294 | Q294-L296 VanDerWaalsContact C-N 3.33Å; Q294-L296 PolarHBondContact O-N 2.82Å | ||
| 297 | A | 27.9 | Very low | 34.6 | Very low | 77 Ų | 77 | 101.9 Ų | 101.9 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | trans | -138.1 | 105.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I299 | A297-I299 VanDerWaalsContact C-N 3.31Å; A297-I299 HydrophobicContact CB-CD1 4.26Å; A297-I299 HydrophobicContact CB-CG1 3.77Å; A297-I299 PolarHBondContact O-N 2.86Å; A297-I299 VanDerWaalsContact O-N 3.08Å | ||
| 298 | R | 32.7 | Very low | 35 | Very low | 214 Ų | 214 | 98.7 Ų | 98.7 | 81% | 0.808 | 55% | 0.55 | S | S | * | . | trans | -68.1 | 92.5 | 156.6 | 168.9 | 178.5 | 165.3 | 175.9 | -5.3 | 106.5 | E300 | R298-E300 HydrophobicContact CG-CG 4.34Å; R298-E300 IonicContact CZ-OE1 3.13Å; R298-E300 IonicContact NE-OE1 2.74Å; R298-E300 PolarHBondContact NE-OE1 2.85Å; R298-E300 IonicContact NH2-OE1 2.68Å; R298-E300 PolarHBondContact NH2-OE1 2.91Å; R298-E300 PolarHBondContact O-N 2.83Å | ||
| 299 | I | 29.8 | Very low | 35.3 | Very low | 103 Ų | 103 | 94.9 Ų | 94.9 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | trans | -88.6 | 101.2 | 178.2 | -55.4 | 177.4 | 0 | 0 | 0 | 107.9 | A297 V301 | A297-I299 VanDerWaalsContact C-N 3.31Å; A297-I299 HydrophobicContact CB-CD1 4.26Å; A297-I299 HydrophobicContact CB-CG1 3.77Å; A297-I299 PolarHBondContact O-N 2.86Å; A297-I299 VanDerWaalsContact O-N 3.08Å; I299-V301 HydrophobicContact CG2-CG2 3.73Å; I299-V301 PolarHBondContact O-N 2.88Å | ||
| 300 | E | 28.1 | Very low | 35.3 | Very low | 87 Ų | 87 | 92.6 Ų | 92.6 | 41% | 0.407 | 50% | 0.503 | S | S | . | . | trans | -81.5 | 101.8 | 168.3 | -69.2 | 177 | -174.4 | 0 | 0 | 108.4 | R298 F302 | R298-E300 HydrophobicContact CG-CG 4.34Å; R298-E300 IonicContact CZ-OE1 3.13Å; R298-E300 IonicContact NE-OE1 2.74Å; R298-E300 PolarHBondContact NE-OE1 2.85Å; R298-E300 IonicContact NH2-OE1 2.68Å; R298-E300 PolarHBondContact NH2-OE1 2.91Å; R298-E300 PolarHBondContact O-N 2.83Å; E300-F302 HydrophobicContact CB-CE1 4.48Å; E300-F302 HydrophobicContact CB-CE2 3.76Å; E300-F302 HydrophobicContact CB-CZ 3.7Å; E300-F302 WeakPolarHBondContact O-CD2 3.44Å; E300-F302 WeakPolarHBondContact O-CE2 3.47Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.39Å | ||
| 301 | V | 26.7 | Very low | 35.5 | Very low | 68 Ų | 68 | 94 Ų | 94 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | trans | -86.9 | 111 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | I299 | I299-V301 HydrophobicContact CG2-CG2 3.73Å; I299-V301 PolarHBondContact O-N 2.88Å | ||
| 302 | F | 32.9 | Very low | 36.4 | Very low | 101 Ų | 101 | 96 Ų | 96 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | trans | -89.6 | 108.7 | 177.3 | -58.4 | -82.7 | 0 | 0 | 0 | 110 | E300 | E300-F302 HydrophobicContact CB-CE1 4.48Å; E300-F302 HydrophobicContact CB-CE2 3.76Å; E300-F302 HydrophobicContact CB-CZ 3.7Å; E300-F302 WeakPolarHBondContact O-CD2 3.44Å; E300-F302 WeakPolarHBondContact O-CE2 3.47Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.39Å | ||
| 303 | N | 34 | Very low | 36.8 | Very low | 32 Ų | 32 | 97.3 Ų | 97.3 | 17% | 0.171 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.5 | 160.8 | -164.7 | 5.8 | 0 | 0 | 0 | 109.3 | V239 | V239-N303 PolarHBondContact N-O 2.79Å |
| 304 | S | 37.3 | Very low | 37.4 | Very low | 31 Ų | 31 | 95.3 Ų | 95.3 | 22% | 0.217 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 110.7 | -175.6 | 55.4 | 0 | 0 | 0 | 0 | 109.6 | R282 | R282-S304 PolarHBondContact O-OG 2.88Å |
| 305 | L | 41.7 | Very low | 37.8 | Very low | 11 Ų | 11 | 92.5 Ų | 92.5 | 6% | 0.058 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.9 | 175.3 | -58.8 | 171.3 | 0 | 0 | 0 | 108.5 | T236 L237 L268 C281 | T236-L305 CarbonylContact C-O 3.53Å; T236-L305 WeakPolarHBondContact CA-O 3.47Å; L237-L305 HydrophobicContact CB-CB 4.32Å; L237-L305 PolarHBondContact N-O 2.88Å; L237-L305 PolarHBondContact O-N 2.96Å; L268-L305 HydrophobicContact CD1-CD1 3.89Å; L268-L305 HydrophobicContact CD1-CD2 4.31Å; L268-L305 HydrophobicContact CD2-CD2 4.3Å; L268-L305 HydrophobicContact CG-CD1 4.4Å; C281-L305 HydrophobicContact CB-CD2 4.21Å; C281-L305 WeakPolarHBondContact SG-CD2 3.36Å |
| 306 | A | 41.5 | Very low | 37.8 | Very low | 36 Ų | 36 | 93 Ų | 93 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 117.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T235 N280 | T235-A306 CarbonylContact O-C 3.58Å; T235-A306 WeakPolarHBondContact O-CA 3.48Å; N280-A306 HydrophobicContact CB-CB 4.47Å; N280-A306 PolarHBondContact N-O 3.03Å; N280-A306 PolarHBondContact O-N 3.02Å |
| 307 | V | 43.3 | Very low | 38.4 | Very low | 19 Ų | 19 | 93.1 Ų | 93.1 | 12% | 0.115 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | T235 L237 L279 | T235-V307 PolarHBondContact N-O 2.85Å; T235-V307 PolarHBondContact O-N 3.18Å; T235-V307 PolarHBondContact OG1-O 2.82Å; T235-V307 VanDerWaalsContact OG1-O 3.06Å; L237-V307 HydrophobicContact CD1-CG2 3.92Å; L237-V307 HydrophobicContact CG-CG2 4.25Å; L279-V307 HydrophobicContact CD2-CB 4.09Å; L279-V307 HydrophobicContact CD2-CG1 3.7Å; L279-V307 HydrophobicContact CD2-CG2 3.84Å |
| 308 | T | 42.6 | Very low | 39.3 | Very low | 52 Ų | 52 | 98.7 Ų | 98.7 | 32% | 0.319 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 124 | 161.4 | 35.1 | 0 | 0 | 0 | 0 | 108.4 | A234 P310 | A234-T308 HydrophobicContact CB-CG2 4.32Å; T308-P310 WeakPolarHBondContact O-CD 3.37Å; T308-P310 VanDerWaalsContact O-N 3.14Å |
| 309 | A | 42.1 | Very low | 39.6 | Very low | 24 Ų | 24 | 98.7 Ų | 98.7 | 20% | 0.198 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -60 | 117.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V229 | V229-A309 HydrophobicContact CG1-CB 4.47Š|
| 310 | P | 41.7 | Very low | 40.2 | Very low | 60 Ų | 60 | 100.9 Ų | 100.9 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 147.9 | -173.2 | 25.3 | -33.9 | 0 | 0 | 0 | 111 | T308 I312 | T308-P310 WeakPolarHBondContact O-CD 3.37Å; T308-P310 VanDerWaalsContact O-N 3.14Å; P310-I312 PolarHBondContact O-N 2.93Å; P310-I312 VanDerWaalsContact O-N 3.08Å |
| 311 | Q | 37.5 | Very low | 41 | Very low | 177 Ų | 177 | 108 Ų | 108 | 83% | 0.827 | 52% | 0.523 | S | S | * | . | trans | -68.7 | 108.4 | 173.6 | -68.7 | -165.9 | 6.8 | 0 | 0 | 109.6 | E313 | Q311-E313 PolarHBondContact O-N 2.85Å; Q311-E313 VanDerWaalsContact O-N 3.11Å | ||
| 312 | I | 48.4 | Very low | 41.7 | Very low | 144 Ų | 144 | 115.6 Ų | 115.6 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | trans | -70.6 | 104 | 166.2 | -59.5 | 172.3 | 0 | 0 | 0 | 106.6 | P310 V314 | P310-I312 PolarHBondContact O-N 2.93Å; P310-I312 VanDerWaalsContact O-N 3.08Å; I312-V314 WeakPolarHBondContact O-CG2 3.38Å; I312-V314 PolarHBondContact O-N 2.97Å | ||
| 313 | E | 41.8 | Very low | 42 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | trans | -57.5 | 106.4 | -178.8 | -71.7 | -175.7 | 171.5 | 0 | 0 | 111.8 | Q311 D315 R316 | Q311-E313 PolarHBondContact O-N 2.85Å; Q311-E313 VanDerWaalsContact O-N 3.11Å; E313-D315 VanDerWaalsContact C-N 3.32Å; E313-R316 IonicContact OE1-NH1 2.67Å; E313-R316 IonicContact OE2-CZ 3.7Å; E313-R316 IonicContact OE2-NH1 3.63Å; E313-R316 PolarHBondContact OE2-NH1 3.08Å | ||
| 314 | V | 46.7 | Very low | 42.3 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 79% | 0.788 | 59% | 0.589 | S | S | * | * | trans | -83.2 | -12.2 | 173.6 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | I312 | I312-V314 WeakPolarHBondContact O-CG2 3.38Å; I312-V314 PolarHBondContact O-N 2.97Å | ||
| 315 | D | 39.6 | Very low | 42.3 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 57% | 0.572 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -92.7 | -4.1 | -166.9 | -97.7 | -33.4 | 0 | 0 | 0 | 116.3 | E313 L317 R318 | E313-D315 VanDerWaalsContact C-N 3.32Å; D315-L317 PolarHBondContact O-N 3.37Å; D315-R318 PolarHBondContact O-N 3.4Å; D315-R318 IonicContact OD1-NH1 2.76Å |
| 316 | R | 42.6 | Very low | 42 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 73% | 0.725 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -63.8 | -11.1 | 178.2 | -103.1 | -176.4 | 156.2 | 97.1 | -1.2 | 114.9 | E313 | E313-R316 IonicContact OE1-NH1 2.67Å; E313-R316 IonicContact OE2-CZ 3.7Å; E313-R316 IonicContact OE2-NH1 3.63Å; E313-R316 PolarHBondContact OE2-NH1 3.08Å |
| 317 | L | 47.7 | Very low | 41.7 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -92.8 | 1.4 | 173.9 | -67.3 | 176.6 | 0 | 0 | 0 | 114.6 | D315 | D315-L317 PolarHBondContact O-N 3.37Š|
| 318 | R | 47.1 | Very low | 41.1 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -95.2 | -15.8 | -177.1 | -110 | -171.5 | -178.8 | 92.5 | 4.3 | 116 | D315 | D315-R318 PolarHBondContact O-N 3.4Å; D315-R318 IonicContact OD1-NH1 2.76Å |
| 319 | Y | 38.6 | Very low | 40.7 | Very low | 214 Ų | 214 | 150.2 Ų | 150.2 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -87.8 | -35 | -172 | -126.9 | -90.5 | 0 | 0 | 0 | 114.6 | R321 | Y319-R321 VanDerWaalsContact C-N 3.34Å; Y319-R321 PolarHBondContact O-N 2.86Å |
| 320 | D | 43 | Very low | 40.1 | Very low | 148 Ų | 148 | 159.3 Ų | 159.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -75.3 | -15.8 | -174.4 | -73.4 | -22.9 | 0 | 0 | 0 | 114.9 | R322 | D320-R322 VanDerWaalsContact C-N 3.27Å; D320-R322 PolarHBondContact O-N 2.79Å |
| 321 | R | 44.1 | Very low | 39.9 | Very low | 238 Ų | 238 | 160 Ų | 160 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -83.3 | 8.8 | -172.7 | -146.7 | 177.5 | -172 | 156.7 | 5.6 | 115.2 | Y319 | Y319-R321 VanDerWaalsContact C-N 3.34Å; Y319-R321 PolarHBondContact O-N 2.86Å |
| 322 | R | 42.4 | Very low | 40.5 | Very low | 226 Ų | 226 | 156.4 Ų | 156.4 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -105.1 | -9.6 | -177.5 | -90.5 | -169.5 | 176.9 | -175.7 | 1.1 | 116.1 | D320 | D320-R322 VanDerWaalsContact C-N 3.27Å; D320-R322 PolarHBondContact O-N 2.79Å |
| 323 | H | 39.4 | Very low | 40.1 | Very low | 182 Ų | 182 | 158 Ų | 158 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -128.2 | 92.3 | 176.4 | -75.6 | 9.2 | 0 | 0 | 0 | 110.7 | ||
| 324 | N | 39.9 | Very low | 39.7 | Very low | 135 Ų | 135 | 159.1 Ų | 159.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 163.9 | 91.7 | 130.6 | -167.6 | 10 | 0 | 0 | 0 | 109.4 | S326 | N324-S326 PolarHBondContact OD1-OG 2.04Š| ||
| 325 | M | 37.3 | Very low | 39.1 | Very low | 206 Ų | 206 | 164.3 Ų | 164.3 | 100% | 1.015 | 79% | 0.789 | S | S | * | * | trans | -114.9 | 88.9 | 164.8 | -103.1 | -151.3 | -90.5 | 0 | 0 | 109.7 | ||||
| 326 | S | 34.5 | Very low | 38.8 | Very low | 99 Ų | 99 | 162.5 Ų | 162.5 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -162.7 | 132.1 | 160.4 | 54.2 | 0 | 0 | 0 | 0 | 106.2 | N324 | N324-S326 PolarHBondContact OD1-OG 2.04Š| ||
| 327 | G | 34.5 | Very low | 38.2 | Very low | 66 Ų | 66 | 162.5 Ų | 162.5 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | cis | -169.6 | -178.8 | -7.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 328 | E | 32.7 | Very low | 37.6 | Very low | 185 Ų | 185 | 160.9 Ų | 160.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 67.5 | 114.6 | 158.6 | -62.2 | 177.8 | 125.2 | 0 | 0 | 120.3 | ||||
| 329 | D | 32.7 | Very low | 37 | Very low | 137 Ų | 137 | 159.6 Ų | 159.6 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | 90.3 | 137.3 | 122 | -91.6 | -13.4 | 0 | 0 | 0 | 126.4 | |||||
| 330 | Y | 30.8 | Very low | 37.5 | Very low | 214 Ų | 214 | 155.4 Ų | 155.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 59 | 152.4 | 168.5 | -81.3 | -111.1 | 0 | 0 | 0 | 118.4 | ||||
| 331 | A | 36.1 | Very low | 37.2 | Very low | 74 Ų | 74 | 151.8 Ų | 151.8 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | cis | -170.6 | 166.6 | -24.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 332 | P | 51.5 | Low | 36.9 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -88.4 | -162.4 | -169 | 37 | -37.2 | 0 | 0 | 0 | 114.6 | ||||
| 333 | H | 38.5 | Very low | 37.3 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | 84.3 | 137.3 | -171.7 | -40.2 | -59.9 | 0 | 0 | 0 | 112.6 | ||||
| 334 | V | 34.6 | Very low | 37.6 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | cis | -133.2 | 154.6 | 32.9 | 170.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 335 | R | 34.7 | Very low | 38.1 | Very low | 240 Ų | 240 | 140.9 Ų | 140.9 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -103.6 | 122.3 | -177.2 | -179.1 | -176.7 | -170.5 | 151.4 | 0.2 | 111.8 | ||||
| 336 | G | 32.7 | Very low | 38.3 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 83 | 121.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 337 | Q | 30.6 | Very low | 39.4 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -148.6 | 135.7 | 131.2 | -120.1 | 178.4 | -28.8 | 0 | 0 | 109.4 | ||||
| 338 | V | 34.5 | Very low | 40.8 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -114.6 | 133.8 | -177.8 | 173 | 0 | 0 | 0 | 0 | 108 | ||||
| 339 | M | 34.2 | Very low | 42.9 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 82% | 0.823 | 76% | 0.761 | S | S | * | * | trans | -126.3 | 138.7 | 166 | -80.8 | -68.6 | 167.1 | 0 | 0 | 109.1 | ||||
| 340 | P | 49.1 | Very low | 44.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -85.4 | 134.2 | -168 | 33.1 | -34.1 | 0 | 0 | 0 | 112.4 | ||||
| 341 | G | 36.8 | Very low | 46.8 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | -164 | 95.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | G343 | G341-G343 PolarHBondContact O-N 3.27Š| ||
| 342 | E | 37.8 | Very low | 49 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | 34.4 | 79 | 155.2 | -59.1 | -173.1 | 171.8 | 0 | 0 | 119.1 | T344 | E342-T344 VanDerWaalsContact C-N 3.33Å; E342-T344 PolarHBondContact O-N 2.81Å; E342-T344 PolarHBondContact O-OG1 2.85Å | ||
| 343 | G | 49.8 | Very low | 50.7 | Low | 82 Ų | 82 | 125.1 Ų | 125.1 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | 73.5 | -2.9 | 120 | 0 | 0 | 0 | 0 | 0 | 120.3 | G341 | G341-G343 PolarHBondContact O-N 3.27Š| |||
| 344 | T | 46.8 | Very low | 52.9 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | trans | -94.7 | 99 | 174.6 | 33.8 | 0 | 0 | 0 | 0 | 111.5 | E342 C346 | E342-T344 VanDerWaalsContact C-N 3.33Å; E342-T344 PolarHBondContact O-N 2.81Å; E342-T344 PolarHBondContact O-OG1 2.85Å; T344-C346 PolarHBondContact O-N 2.91Å | ||
| 345 | L | 50.8 | Low | 55.4 | Low | 158 Ų | 158 | 117.4 Ų | 117.4 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | -70.9 | 91.9 | 177.1 | -76.3 | 165 | 0 | 0 | 0 | 111.3 | L347 | L345-L347 PolarHBondContact O-N 2.93Š| ||
| 346 | C | 39.8 | Very low | 58.1 | Low | 127 Ų | 127 | 112.5 Ų | 112.5 | 86% | 0.858 | 67% | 0.669 | S | S | * | * | trans | -69.6 | 77.2 | 168.8 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | T344 | T344-C346 PolarHBondContact O-N 2.91Š| ||
| 347 | L | 58.5 | Low | 61 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | trans | -83.8 | 130.1 | 167.8 | -75.8 | 166.4 | 0 | 0 | 0 | 109.8 | L345 K351 | L345-L347 PolarHBondContact O-N 2.93Å; L347-K351 HydrophobicContact CD2-CB 4.13Å; L347-K351 HydrophobicContact CD2-CD 4.25Å | ||
| 348 | S | 63.6 | Low | 64 | Low | 55 Ų | 55 | 107.6 Ų | 107.6 | 39% | 0.385 | 64% | 0.64 | S | S | . | * | trans | -64 | 146.6 | 170.4 | 62.2 | 0 | 0 | 0 | 0 | 110.2 | S350 K351 L352 | S348-S350 PolarHBondContact O-N 3.02Å; S348-S350 PolarHBondContact OG-OG 2.69Å; S348-K351 PolarHBondContact O-N 3.31Å; S348-L352 PolarHBondContact O-N 2.92Å; S348-L352 VanDerWaalsContact O-N 3.09Å | ||
| 349 | I | 77.1 | Confident | 66.8 | Low | 120 Ų | 120 | 106.2 Ų | 106.2 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -50.6 | -36.3 | 177.7 | -64.4 | 164.9 | 0 | 0 | 0 | 111.2 | K351 L352 A353 | I349-K351 PolarHBondContact O-N 3.14Å; I349-L352 PolarHBondContact O-N 3.18Å; I349-A353 WeakPolarHBondContact O-CB 3.32Å; I349-A353 PolarHBondContact O-N 2.88Å |
| 350 | S | 69.9 | Low | 69.7 | Low | 76 Ų | 76 | 100.1 Ų | 100.1 | 53% | 0.531 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.4 | -36.9 | 174.1 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | S348 I354 | S348-S350 PolarHBondContact O-N 3.02Å; S348-S350 PolarHBondContact OG-OG 2.69Å; S350-I354 WeakPolarHBondContact O-CD1 3.04Å; S350-I354 WeakPolarHBondContact O-CG1 3Å; S350-I354 PolarHBondContact O-N 3.12Å |
| 351 | K | 75.9 | Confident | 71.9 | Confident | 136 Ų | 136 | 99.1 Ų | 99.1 | 59% | 0.591 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -78.7 | -35.8 | 176.7 | -72.8 | -175.7 | 177 | -176.7 | 0 | 111.9 | L347 S348 I349 I354 S355 | L347-K351 HydrophobicContact CD2-CB 4.13Å; L347-K351 HydrophobicContact CD2-CD 4.25Å; S348-K351 PolarHBondContact O-N 3.31Å; I349-K351 PolarHBondContact O-N 3.14Å; K351-I354 PolarHBondContact O-N 3.49Å; K351-S355 PolarHBondContact O-N 3.46Å; K351-S355 VanDerWaalsContact O-N 3.1Å |
| 352 | L | 81.8 | Confident | 74.8 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 40% | 0.403 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.7 | -46.7 | 173.9 | -175 | 166.2 | 0 | 0 | 0 | 110.4 | S348 I349 I354 S355 F356 | S348-L352 PolarHBondContact O-N 2.92Å; S348-L352 VanDerWaalsContact O-N 3.09Å; I349-L352 PolarHBondContact O-N 3.18Å; L352-I354 VanDerWaalsContact C-N 3.33Å; L352-I354 PolarHBondContact O-N 2.93Å; L352-S355 PolarHBondContact O-N 2.8Å; L352-S355 VanDerWaalsContact O-N 3.09Å; L352-S355 PolarHBondContact O-OG 3.49Å; L352-F356 HydrophobicContact CD2-CD2 3.54Å; L352-F356 HydrophobicContact CD2-CE2 3.49Å; L352-F356 VanDerWaalsContact CD2-CE2 3.49Å; L352-F356 HydrophobicContact CG-CE2 4.35Å; L352-F356 PolarHBondContact O-N 2.77Å; L352-F356 VanDerWaalsContact O-N 3.14Å |
| 353 | A | 86.9 | Confident | 77.5 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -56.9 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I349 S355 F356 C357 | I349-A353 WeakPolarHBondContact O-CB 3.32Å; I349-A353 PolarHBondContact O-N 2.88Å; A353-S355 PolarHBondContact O-N 2.82Å; A353-F356 PolarHBondContact O-N 3.2Å; A353-C357 WeakPolarHBondContact O-CB 3.35Å; A353-C357 PolarHBondContact O-N 3.2Å |
| 354 | I | 85.6 | Confident | 79.7 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 56% | 0.564 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63 | -41.9 | 176.3 | -65.3 | 164.4 | 0 | 0 | 0 | 110.8 | S350 K351 L352 F356 C357 V358 | S350-I354 WeakPolarHBondContact O-CD1 3.04Å; S350-I354 WeakPolarHBondContact O-CG1 3Å; S350-I354 PolarHBondContact O-N 3.12Å; K351-I354 PolarHBondContact O-N 3.49Å; L352-I354 VanDerWaalsContact C-N 3.33Å; L352-I354 PolarHBondContact O-N 2.93Å; I354-F356 PolarHBondContact O-N 2.95Å; I354-C357 WeakPolarHBondContact O-CB 3.25Å; I354-C357 PolarHBondContact O-N 2.81Å; I354-V358 HydrophobicContact CG2-CG2 4.46Å; I354-V358 WeakPolarHBondContact O-CG2 3.3Å; I354-V358 PolarHBondContact O-N 3Å |
| 355 | S | 87.1 | Confident | 82 | Confident | 52 Ų | 52 | 98 Ų | 98 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.7 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | K351 L352 A353 C357 V358 L359 | K351-S355 PolarHBondContact O-N 3.46Å; K351-S355 VanDerWaalsContact O-N 3.1Å; L352-S355 PolarHBondContact O-N 2.8Å; L352-S355 VanDerWaalsContact O-N 3.09Å; L352-S355 PolarHBondContact O-OG 3.49Å; A353-S355 PolarHBondContact O-N 2.82Å; S355-C357 VanDerWaalsContact C-N 3.34Å; S355-C357 PolarHBondContact O-N 2.99Å; S355-V358 PolarHBondContact O-N 2.86Å; S355-L359 WeakPolarHBondContact O-CG 3.37Å; S355-L359 PolarHBondContact O-N 2.72Å |
| 356 | F | 91.4 | Very high | 84.1 | Confident | 138 Ų | 138 | 93.2 Ų | 93.2 | 61% | 0.605 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.9 | -33.3 | 175.7 | -77 | -46.4 | 0 | 0 | 0 | 112.4 | L352 A353 I354 L359 G360 | L352-F356 HydrophobicContact CD2-CD2 3.54Å; L352-F356 HydrophobicContact CD2-CE2 3.49Å; L352-F356 VanDerWaalsContact CD2-CE2 3.49Å; L352-F356 HydrophobicContact CG-CE2 4.35Å; L352-F356 PolarHBondContact O-N 2.77Å; L352-F356 VanDerWaalsContact O-N 3.14Å; A353-F356 PolarHBondContact O-N 3.2Å; I354-F356 PolarHBondContact O-N 2.95Å; F356-L359 HydrophobicContact CD1-CD1 4.46Å; F356-G360 PolarHBondContact O-N 3.2Å |
| 357 | C | 92.6 | Very high | 86.9 | Confident | 81 Ų | 81 | 90 Ų | 90 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.4 | -166 | 0 | 0 | 0 | 0 | 111.7 | A353 I354 S355 G360 L361 | A353-C357 WeakPolarHBondContact O-CB 3.35Å; A353-C357 PolarHBondContact O-N 3.2Å; I354-C357 WeakPolarHBondContact O-CB 3.25Å; I354-C357 PolarHBondContact O-N 2.81Å; S355-C357 VanDerWaalsContact C-N 3.34Å; S355-C357 PolarHBondContact O-N 2.99Å; C357-G360 PolarHBondContact O-N 2.8Å; C357-L361 WeakPolarHBondContact O-CG 3.37Å; C357-L361 PolarHBondContact O-N 2.95Å |
| 358 | V | 93.4 | Very high | 88.6 | Confident | 76 Ų | 76 | 88.1 Ų | 88.1 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | I354 S355 G360 L361 I362 | I354-V358 HydrophobicContact CG2-CG2 4.46Å; I354-V358 WeakPolarHBondContact O-CG2 3.3Å; I354-V358 PolarHBondContact O-N 3Å; S355-V358 PolarHBondContact O-N 2.86Å; V358-G360 VanDerWaalsContact C-N 3.33Å; V358-G360 PolarHBondContact O-N 2.9Å; V358-L361 PolarHBondContact O-N 2.98Å; V358-I362 HydrophobicContact CG1-CD1 3.97Å; V358-I362 WeakPolarHBondContact O-CG1 3.42Å; V358-I362 PolarHBondContact O-N 3.44Å |
| 359 | L | 94.3 | Very high | 90.1 | Very high | 103 Ų | 103 | 89.5 Ų | 89.5 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.6 | -70.7 | 171.6 | 0 | 0 | 0 | 112.1 | S355 F356 I362 F363 | S355-L359 WeakPolarHBondContact O-CG 3.37Å; S355-L359 PolarHBondContact O-N 2.72Å; F356-L359 HydrophobicContact CD1-CD1 4.46Å; L359-I362 PolarHBondContact O-N 3.46Å; L359-F363 WeakPolarHBondContact O-CB 3.38Å; L359-F363 PolarHBondContact O-N 2.81Å |
| 360 | G | 94.9 | Very high | 91 | Very high | 39 Ų | 39 | 86.1 Ų | 86.1 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | F356 C357 V358 F363 L364 | F356-G360 PolarHBondContact O-N 3.2Å; C357-G360 PolarHBondContact O-N 2.8Å; V358-G360 VanDerWaalsContact C-N 3.33Å; V358-G360 PolarHBondContact O-N 2.9Å; G360-F363 PolarHBondContact O-N 3.48Å; G360-L364 WeakPolarHBondContact O-CB 3.35Å; G360-L364 PolarHBondContact O-N 2.94Å |
| 361 | L | 96.2 | Very high | 92.2 | Very high | 106 Ų | 106 | 86.7 Ų | 86.7 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 175.4 | -73.3 | 171.5 | 0 | 0 | 0 | 112.2 | C357 V358 F363 L364 V365 | C357-L361 WeakPolarHBondContact O-CG 3.37Å; C357-L361 PolarHBondContact O-N 2.95Å; V358-L361 PolarHBondContact O-N 2.98Å; L361-F363 PolarHBondContact O-N 3.13Å; L361-L364 PolarHBondContact O-N 3.13Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.29Å |
| 362 | I | 95.9 | Very high | 93 | Very high | 107 Ų | 107 | 86.9 Ų | 86.9 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.8 | -66.3 | 164.8 | 0 | 0 | 0 | 110.5 | V358 L359 L364 V365 A366 | V358-I362 HydrophobicContact CG1-CD1 3.97Å; V358-I362 WeakPolarHBondContact O-CG1 3.42Å; V358-I362 PolarHBondContact O-N 3.44Å; L359-I362 PolarHBondContact O-N 3.46Å; I362-L364 PolarHBondContact O-N 2.93Å; I362-V365 PolarHBondContact O-N 3.23Å; I362-A366 PolarHBondContact O-N 3.42Å |
| 363 | F | 95.8 | Very high | 93.3 | Very high | 144 Ų | 144 | 86.5 Ų | 86.5 | 63% | 0.632 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 177 | -177.1 | -101.6 | 0 | 0 | 0 | 112.2 | L359 G360 L361 V365 A366 V367 | L359-F363 WeakPolarHBondContact O-CB 3.38Å; L359-F363 PolarHBondContact O-N 2.81Å; G360-F363 PolarHBondContact O-N 3.48Å; L361-F363 PolarHBondContact O-N 3.13Å; F363-V365 PolarHBondContact O-N 3.35Å; F363-A366 WeakPolarHBondContact O-CB 3.23Å; F363-A366 PolarHBondContact O-N 3.02Å; F363-V367 HydrophobicContact CD1-CG2 4.2Å; F363-V367 HydrophobicContact CE1-CG2 3.78Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 3.9Å; F363-V367 WeakPolarHBondContact O-CG2 3.46Å; F363-V367 PolarHBondContact O-N 3.14Å |
| 364 | L | 95.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 89.2 Ų | 89.2 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.6 | -170.6 | 155.4 | 0 | 0 | 0 | 111.4 | G360 L361 I362 A366 V367 V368 | G360-L364 WeakPolarHBondContact O-CB 3.35Å; G360-L364 PolarHBondContact O-N 2.94Å; L361-L364 PolarHBondContact O-N 3.13Å; I362-L364 PolarHBondContact O-N 2.93Å; L364-A366 VanDerWaalsContact C-N 3.35Å; L364-A366 PolarHBondContact O-N 3.12Å; L364-V367 PolarHBondContact O-N 2.99Å; L364-V368 HydrophobicContact CD2-CG2 4.13Å; L364-V368 WeakPolarHBondContact O-CG2 3.43Å; L364-V368 PolarHBondContact O-N 3.34Å |
| 365 | V | 95.9 | Very high | 93.6 | Very high | 89 Ų | 89 | 87.6 Ų | 87.6 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L361 I362 F363 V367 V368 V369 | L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.29Å; I362-V365 PolarHBondContact O-N 3.23Å; F363-V365 PolarHBondContact O-N 3.35Å; V365-V367 PolarHBondContact O-N 3.08Å; V365-V368 PolarHBondContact O-N 2.94Å; V365-V369 WeakPolarHBondContact O-CG2 3.29Å; V365-V369 PolarHBondContact O-N 3.08Å |
| 366 | A | 95 | Very high | 93.5 | Very high | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I362 F363 L364 V369 A370 | I362-A366 PolarHBondContact O-N 3.42Å; F363-A366 WeakPolarHBondContact O-CB 3.23Å; F363-A366 PolarHBondContact O-N 3.02Å; L364-A366 VanDerWaalsContact C-N 3.35Å; L364-A366 PolarHBondContact O-N 3.12Å; A366-V369 PolarHBondContact O-N 3.27Å; A366-A370 WeakPolarHBondContact O-CB 3.47Å; A366-A370 PolarHBondContact O-N 3.25Å |
| 367 | V | 96.5 | Very high | 93 | Very high | 60 Ų | 60 | 90.8 Ų | 90.8 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | F363 L364 V365 A370 I371 | F363-V367 HydrophobicContact CD1-CG2 4.2Å; F363-V367 HydrophobicContact CE1-CG2 3.78Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 3.9Å; F363-V367 WeakPolarHBondContact O-CG2 3.46Å; F363-V367 PolarHBondContact O-N 3.14Å; L364-V367 PolarHBondContact O-N 2.99Å; V365-V367 PolarHBondContact O-N 3.08Å; V367-A370 PolarHBondContact O-N 3.02Å; V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.47Å; V367-I371 VanDerWaalsContact O-CG1 3.32Å; V367-I371 WeakPolarHBondContact O-CG1 3.35Å; V367-I371 PolarHBondContact O-N 2.92Å |
| 368 | V | 95.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 95.8 Ų | 95.8 | 38% | 0.376 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 175.8 | 170 | 0 | 0 | 0 | 0 | 110.9 | L364 V365 A370 I371 F372 | L364-V368 HydrophobicContact CD2-CG2 4.13Å; L364-V368 WeakPolarHBondContact O-CG2 3.43Å; L364-V368 PolarHBondContact O-N 3.34Å; V365-V368 PolarHBondContact O-N 2.94Å; V368-A370 VanDerWaalsContact C-N 3.35Å; V368-A370 PolarHBondContact O-N 3.19Å; V368-I371 PolarHBondContact O-N 2.99Å; V368-F372 HydrophobicContact CG1-CD2 3.68Å; V368-F372 HydrophobicContact CG1-CE2 3.78Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 3.42Å |
| 369 | V | 95.5 | Very high | 91.6 | Very high | 84 Ų | 84 | 100.7 Ų | 100.7 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | V365 A366 F372 S373 | V365-V369 WeakPolarHBondContact O-CG2 3.29Å; V365-V369 PolarHBondContact O-N 3.08Å; A366-V369 PolarHBondContact O-N 3.27Å; V369-F372 PolarHBondContact O-N 2.68Å; V369-S373 VanDerWaalsContact O-CB 3.32Å; V369-S373 WeakPolarHBondContact O-CB 3.34Å; V369-S373 PolarHBondContact O-N 2.74Å; V369-S373 PolarHBondContact O-OG 3.42Å |
| 370 | A | 94.8 | Very high | 90.2 | Very high | 50 Ų | 50 | 104.1 Ų | 104.1 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A366 V367 V368 S373 L374 | A366-A370 WeakPolarHBondContact O-CB 3.47Å; A366-A370 PolarHBondContact O-N 3.25Å; V367-A370 PolarHBondContact O-N 3.02Å; V368-A370 VanDerWaalsContact C-N 3.35Å; V368-A370 PolarHBondContact O-N 3.19Å; A370-S373 WeakPolarHBondContact O-CB 3.3Å; A370-S373 PolarHBondContact O-N 3.05Å; A370-L374 WeakPolarHBondContact O-CG 3.29Å; A370-L374 PolarHBondContact O-N 3.33Å |
| 371 | I | 95 | Very high | 88.7 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.9 | -68.7 | 166.2 | 0 | 0 | 0 | 111 | V367 V368 S373 L374 I375 | V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.47Å; V367-I371 VanDerWaalsContact O-CG1 3.32Å; V367-I371 WeakPolarHBondContact O-CG1 3.35Å; V367-I371 PolarHBondContact O-N 2.92Å; V368-I371 PolarHBondContact O-N 2.99Å; I371-S373 VanDerWaalsContact C-N 3.28Å; I371-S373 PolarHBondContact O-N 2.85Å; I371-L374 PolarHBondContact O-N 2.89Å; I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.43Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.29Å; I371-I375 PolarHBondContact O-N 3.43Å |
| 372 | F | 93.3 | Very high | 86.8 | Confident | 141 Ų | 141 | 114.3 Ų | 114.3 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.3 | -36.5 | 175.3 | -90.6 | -75.5 | 0 | 0 | 0 | 112.5 | V368 V369 I375 R376 | V368-F372 HydrophobicContact CG1-CD2 3.68Å; V368-F372 HydrophobicContact CG1-CE2 3.78Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 3.42Å; V369-F372 PolarHBondContact O-N 2.68Å; F372-I375 PolarHBondContact O-N 2.78Å; F372-R376 VanDerWaalsContact O-CB 3.24Å; F372-R376 WeakPolarHBondContact O-CB 3.49Å; F372-R376 PolarHBondContact O-N 3.19Å |
| 373 | S | 89.1 | Confident | 84.9 | Confident | 68 Ų | 68 | 119.2 Ų | 119.2 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -41.5 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | V369 A370 I371 R376 S377 | V369-S373 VanDerWaalsContact O-CB 3.32Å; V369-S373 WeakPolarHBondContact O-CB 3.34Å; V369-S373 PolarHBondContact O-N 2.74Å; V369-S373 PolarHBondContact O-OG 3.42Å; A370-S373 WeakPolarHBondContact O-CB 3.3Å; A370-S373 PolarHBondContact O-N 3.05Å; I371-S373 VanDerWaalsContact C-N 3.28Å; I371-S373 PolarHBondContact O-N 2.85Å; S373-R376 PolarHBondContact O-N 3.46Å; S373-S377 WeakPolarHBondContact O-CB 3.27Å; S373-S377 PolarHBondContact O-N 3.36Å |
| 374 | L | 88.2 | Confident | 82.9 | Confident | 116 Ų | 116 | 118.8 Ų | 118.8 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -43.9 | 173.4 | -69.6 | 172.7 | 0 | 0 | 0 | 112 | A370 I371 R376 S377 R378 | A370-L374 WeakPolarHBondContact O-CG 3.29Å; A370-L374 PolarHBondContact O-N 3.33Å; I371-L374 PolarHBondContact O-N 2.89Å; L374-R376 PolarHBondContact O-N 2.92Å; L374-S377 PolarHBondContact O-N 3.4Å; L374-R378 WeakPolarHBondContact O-CG 3.31Å; L374-R378 PolarHBondContact O-N 3.37Å |
| 375 | I | 89.6 | Confident | 80.8 | Confident | 75 Ų | 75 | 117.5 Ų | 117.5 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.4 | -43 | 175.2 | -67.5 | 167.5 | 0 | 0 | 0 | 110.6 | I371 F372 R379 | I371-I375 HydrophobicContact CG2-CD1 3.74Å; I371-I375 HydrophobicContact CG2-CG1 4.43Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.29Å; I371-I375 PolarHBondContact O-N 3.43Å; F372-I375 PolarHBondContact O-N 2.78Å; I375-R379 WeakPolarHBondContact O-CB 3.35Å; I375-R379 VanDerWaalsContact O-CG 3.3Å; I375-R379 WeakPolarHBondContact O-CG 3.33Å; I375-R379 PolarHBondContact O-N 3.38Å |
| 376 | R | 84.4 | Confident | 78.7 | Confident | 186 Ų | 186 | 117.4 Ų | 117.4 | 70% | 0.702 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.6 | -37.7 | 177.2 | -171.3 | 172.8 | -179.9 | 142.4 | -1.2 | 112 | F372 S373 L374 R379 R380 | F372-R376 VanDerWaalsContact O-CB 3.24Å; F372-R376 WeakPolarHBondContact O-CB 3.49Å; F372-R376 PolarHBondContact O-N 3.19Å; S373-R376 PolarHBondContact O-N 3.46Å; L374-R376 PolarHBondContact O-N 2.92Å; R376-R379 PolarHBondContact O-N 3Å; R376-R380 WeakPolarHBondContact O-CB 3.48Å; R376-R380 PolarHBondContact O-N 3.35Å |
| 377 | S | 81.9 | Confident | 76.4 | Confident | 72 Ų | 72 | 117.4 Ų | 117.4 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.6 | -53.8 | 173.6 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | S373 L374 R379 R380 E381 | S373-S377 WeakPolarHBondContact O-CB 3.27Å; S373-S377 PolarHBondContact O-N 3.36Å; L374-S377 PolarHBondContact O-N 3.4Å; S377-R379 VanDerWaalsContact C-N 3.27Å; S377-R379 PolarHBondContact O-N 3.1Å; S377-R380 CarbonylContact O-C 3.58Å; S377-R380 WeakPolarHBondContact O-CA 3.35Å; S377-R380 WeakPolarHBondContact O-CB 3.42Å; S377-R380 PolarHBondContact O-N 3.48Å; S377-E381 PolarHBondContact O-N 2.87Å |
| 378 | R | 79.6 | Confident | 73.9 | Confident | 186 Ų | 186 | 122.9 Ų | 122.9 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.5 | -32 | 178 | -65.8 | -178.2 | 80.2 | -177 | 6.5 | 113 | L374 R382 | L374-R378 WeakPolarHBondContact O-CG 3.31Å; L374-R378 PolarHBondContact O-N 3.37Å; R378-R382 PolarHBondContact O-N 2.98Å; R378-R382 VanDerWaalsContact O-N 3.15Å |
| 379 | R | 76.1 | Confident | 71.2 | Confident | 178 Ų | 178 | 125 Ų | 125 | 67% | 0.672 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.1 | -31.1 | 170.9 | -74.2 | -179.6 | -172.9 | -158.9 | 3.9 | 113 | I375 R376 S377 R383 | I375-R379 WeakPolarHBondContact O-CB 3.35Å; I375-R379 VanDerWaalsContact O-CG 3.3Å; I375-R379 WeakPolarHBondContact O-CG 3.33Å; I375-R379 PolarHBondContact O-N 3.38Å; R376-R379 PolarHBondContact O-N 3Å; S377-R379 VanDerWaalsContact C-N 3.27Å; S377-R379 PolarHBondContact O-N 3.1Å; R379-R383 PolarHBondContact O-N 3.48Å |
| 380 | R | 65.2 | Low | 68.5 | Low | 176 Ų | 176 | 128.9 Ų | 128.9 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.4 | -40.8 | 175.7 | -164.6 | 175.4 | -171.2 | 177.5 | 3.1 | 110.9 | R376 S377 R383 H384 | R376-R380 WeakPolarHBondContact O-CB 3.48Å; R376-R380 PolarHBondContact O-N 3.35Å; S377-R380 CarbonylContact O-C 3.58Å; S377-R380 WeakPolarHBondContact O-CA 3.35Å; S377-R380 WeakPolarHBondContact O-CB 3.42Å; S377-R380 PolarHBondContact O-N 3.48Å; R380-R383 WeakPolarHBondContact O-CA 3.26Å; R380-R383 WeakPolarHBondContact O-CB 3.36Å; R380-R383 PolarHBondContact O-N 2.92Å; R380-H384 PolarHBondContact O-N 2.79Å; R380-H384 VanDerWaalsContact O-N 3.15Å; R380-H384 PolarHBondContact O-ND1 3.27Å |
| 381 | E | 62.7 | Low | 65.7 | Low | 139 Ų | 139 | 130 Ų | 130 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -59.6 | -47.5 | 174.3 | -167.7 | 171.7 | -148.9 | 0 | 0 | 111.5 | S377 R383 H384 G385 | S377-E381 PolarHBondContact O-N 2.87Å; E381-R383 PolarHBondContact O-N 3.49Å; E381-H384 PolarHBondContact O-N 2.98Å; E381-G385 PolarHBondContact O-N 3.16Å; E381-G385 VanDerWaalsContact O-N 3.07Å |
| 382 | R | 57.8 | Low | 62.8 | Low | 219 Ų | 219 | 134.1 Ų | 134.1 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -62.1 | -12.3 | 171 | -75.7 | -162.4 | 178.8 | -154.3 | 0.9 | 115.3 | R378 | R378-R382 PolarHBondContact O-N 2.98Å; R378-R382 VanDerWaalsContact O-N 3.15Å |
| 383 | R | 55.5 | Low | 59.8 | Low | 210 Ų | 210 | 130.7 Ų | 130.7 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -94.9 | -19 | 171.7 | -75.5 | -176.3 | 177 | -166.6 | -1.7 | 113.8 | R379 R380 E381 | R379-R383 PolarHBondContact O-N 3.48Å; R380-R383 WeakPolarHBondContact O-CA 3.26Å; R380-R383 WeakPolarHBondContact O-CB 3.36Å; R380-R383 PolarHBondContact O-N 2.92Å; E381-R383 PolarHBondContact O-N 3.49Å |
| 384 | H | 53.9 | Low | 57.1 | Low | 135 Ų | 135 | 134.8 Ų | 134.8 | 63% | 0.625 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -94.7 | -22.2 | 177.2 | -66.5 | 65.9 | 0 | 0 | 0 | 112 | R380 E381 A386 | R380-H384 PolarHBondContact O-N 2.79Å; R380-H384 VanDerWaalsContact O-N 3.15Å; R380-H384 PolarHBondContact O-ND1 3.27Å; E381-H384 PolarHBondContact O-N 2.98Å; H384-A386 PolarHBondContact O-N 3.36Å; H384-A386 VanDerWaalsContact O-N 3.15Å |
| 385 | G | 51.1 | Low | 54.3 | Low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 14.6 | 171 | 0 | 0 | 0 | 0 | 0 | 115.9 | E381 | E381-G385 PolarHBondContact O-N 3.16Å; E381-G385 VanDerWaalsContact O-N 3.07Å |
| 386 | A | 52.2 | Low | 51.7 | Low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 19.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | H384 | H384-A386 PolarHBondContact O-N 3.36Å; H384-A386 VanDerWaalsContact O-N 3.15Å |
| 387 | G | 47.6 | Very low | 49.1 | Very low | 58 Ų | 58 | 131 Ų | 131 | 60% | 0.598 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -171.1 | 67.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 388 | L | 42.8 | Very low | 47 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | -172.8 | 106.6 | 124.1 | -125.3 | 69.7 | 0 | 0 | 0 | 110.1 | |||||
| 389 | S | 39.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -117.8 | 158.3 | 153.9 | -173.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 390 | L | 38.7 | Very low | 42.8 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | 77.6 | 129.8 | -169.8 | -65.8 | 76.1 | 0 | 0 | 0 | 115.7 | ||||
| 391 | G | 34.9 | Very low | 41.4 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 145.3 | 71.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 392 | L | 34.5 | Very low | 40.1 | Very low | 175 Ų | 175 | 121.8 Ų | 121.8 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | 3.8 | 124.9 | 156.9 | -83 | 58.1 | 0 | 0 | 0 | 119.2 | ||||
| 393 | G | 30.6 | Very low | 39 | Very low | 68 Ų | 68 | 117.4 Ų | 117.4 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 91.6 | 128.9 | 100.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 394 | V | 32.3 | Very low | 38 | Very low | 155 Ų | 155 | 112.9 Ų | 112.9 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | 75.8 | 110.8 | 147.7 | -169 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 395 | G | 29.9 | Very low | 37.1 | Very low | 57 Ų | 57 | 113.9 Ų | 113.9 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | 113.8 | 128.6 | 118.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 396 | L | 33.6 | Very low | 36.3 | Very low | 174 Ų | 174 | 114.7 Ų | 114.7 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | trans | 64.2 | 136.7 | 166.2 | -69.6 | 66.6 | 0 | 0 | 0 | 115.8 | ||||
| 397 | G | 30.1 | Very low | 35.4 | Very low | 65 Ų | 65 | 116 Ų | 116 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 129.4 | 145.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 398 | I | 37.1 | Very low | 34.7 | Very low | 164 Ų | 164 | 117.8 Ų | 117.8 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | 108.2 | 115.4 | 163.1 | -57.6 | 160.4 | 0 | 0 | 0 | 117.1 | ||||
| 399 | A | 36 | Very low | 34.2 | Very low | 96 Ų | 96 | 120 Ų | 120 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | 40.5 | 142.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 400 | G | 32.8 | Very low | 33.8 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | 106.6 | 92.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 401 | T | 35.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -173.7 | 151.5 | 157.4 | 42.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 402 | S | 34.6 | Very low | 33.2 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | cis | -161.7 | 128.4 | -19 | -86.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 403 | T | 35.3 | Very low | 32.9 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 67.8 | 150.5 | 130.3 | 63.3 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 404 | S | 33.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 76.9 | 106.3 | 168.7 | 69.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 405 | N | 35.8 | Very low | 32.8 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | cis | 103.7 | 142.7 | 13.2 | -156.7 | 23.9 | 0 | 0 | 0 | 115.4 | ||||
| 406 | S | 33.8 | Very low | 32.8 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | 76.9 | 104.1 | -177.6 | -50.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 407 | S | 33.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | 74 | 137.2 | 63.8 | 85.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 408 | S | 34 | Very low | 32.5 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -161.1 | 153.3 | 20.1 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 409 | R | 32.6 | Very low | 32.1 | Very low | 221 Ų | 221 | 130.3 Ų | 130.3 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 55 | 114 | 141.7 | -67.1 | 179.8 | -178.9 | -154.3 | -0.6 | 119.6 | ||||
| 410 | L | 30.9 | Very low | 31.7 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | 68.1 | 131.9 | 92.5 | -83.1 | 139.2 | 0 | 0 | 0 | 113 | |||||
| 411 | H | 30.6 | Very low | 31.4 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | cis | -166.9 | 160.2 | 45 | -146.6 | -62.6 | 0 | 0 | 0 | 113 | ||||
| 412 | R | 30.1 | Very low | 31 | Very low | 196 Ų | 196 | 138 Ų | 138 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | 79.3 | 143.4 | 143.6 | -139.5 | 154.7 | -165.8 | 140.3 | 2.7 | 118 | ||||
| 413 | D | 29.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | cis | -146.4 | 134.2 | -12.2 | -114.9 | -24.6 | 0 | 0 | 0 | 105.6 | ||||
| 414 | R | 30.9 | Very low | 30 | Very low | 226 Ų | 226 | 139.2 Ų | 139.2 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | 84.8 | 126.4 | 85.2 | -174.3 | 177.8 | -179.9 | 112.3 | 5.3 | 116.7 | |||||
| 415 | A | 29.6 | Very low | 29.9 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | trans | 73.5 | 103 | 152.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 416 | E | 29.7 | Very low | 29.5 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 59.8 | 122.1 | 106 | -73.5 | -169.9 | 162.2 | 0 | 0 | 123.9 | |||||
| 417 | I | 30.6 | Very low | 29.3 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | 93.2 | 135.9 | 121.8 | -71.2 | 172.9 | 0 | 0 | 0 | 121.2 | |||||
| 418 | C | 26.3 | Very low | 29 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | 92.5 | 109.2 | 153.8 | -87.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 419 | T | 28.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | 103.9 | 139.5 | 113.9 | 51.2 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 420 | S | 27.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 78.1 | 105.8 | 154.3 | 71.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 421 | M | 26.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 136 Ų | 136 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | trans | -132.9 | 128.3 | 155.5 | -93.5 | -160.7 | -160.6 | 0 | 0 | 109.1 | ||||
| 422 | F | 28.3 | Very low | 28.9 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 80% | 0.803 | 77% | 0.765 | S | S | * | * | trans | 59.3 | 113.1 | 164.5 | -58.9 | -69.4 | 0 | 0 | 0 | 119.7 | ||||
| 423 | S | 24.3 | Very low | 29.6 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -137.6 | 119.1 | 136.5 | -74.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 424 | S | 25 | Very low | 29.8 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -127.6 | 137.8 | 161.3 | -88.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 425 | S | 30.7 | Very low | 29.7 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -55.3 | 155.8 | -178.3 | -37.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 426 | S | 28.3 | Very low | 29.7 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -168 | 140.4 | 142.6 | -83.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 427 | E | 28.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 154.9 | 148 | 139.6 | -87.3 | -149.1 | 72.2 | 0 | 0 | 110.6 | ||||
| 428 | S | 28.2 | Very low | 29.7 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | cis | -162.4 | 170.8 | -22.7 | 42.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 429 | A | 28.6 | Very low | 29.7 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -137.2 | 139.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 430 | Q | 33.4 | Very low | 29.5 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -177.7 | 160.6 | 170.1 | -101.3 | 152.2 | 13.3 | 0 | 0 | 109.2 | ||||
| 431 | S | 30.8 | Very low | 29.6 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | cis | -176.3 | 145.5 | -38.1 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 432 | Q | 33.3 | Very low | 29.7 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -6.5 | 159.2 | 155.6 | -94.3 | -175.5 | 3.8 | 0 | 0 | 121.9 | ||||
| 433 | P | 43.3 | Very low | 29.6 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | -155.1 | -168.9 | 63.7 | 42.8 | -19.2 | 0 | 0 | 0 | 120.7 | |||||
| 434 | R | 34.2 | Very low | 29.9 | Very low | 217 Ų | 217 | 149.7 Ų | 149.7 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -79.9 | 159.6 | -159.2 | -60.6 | 165.3 | 165.2 | 165.5 | -5.1 | 119.4 | ||||
| 435 | F | 28.7 | Very low | 30.6 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 95% | 0.952 | 80% | 0.797 | S | S | * | * | -167.8 | 158.4 | 118.9 | -94.5 | -73.7 | 0 | 0 | 0 | 109.5 | |||||
| 436 | G | 28.9 | Very low | 30.6 | Very low | 76 Ų | 76 | 149.7 Ų | 149.7 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | cis | 155 | 68.7 | -18.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 437 | A | 29 | Very low | 30.7 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -137.3 | 156.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 438 | K | 31 | Very low | 30.8 | Very low | 197 Ų | 197 | 151.6 Ų | 151.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -104.9 | 137.8 | 178.5 | -54.3 | 169.3 | -179.3 | 172.6 | 0 | 110.4 | ||||
| 439 | F | 26.8 | Very low | 31.3 | Very low | 212 Ų | 212 | 151.9 Ų | 151.9 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -151.4 | 163.6 | 154.9 | -100.1 | -72.1 | 0 | 0 | 0 | 112.4 | ||||
| 440 | L | 25.8 | Very low | 31.1 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -93.8 | 159.4 | -161 | -77.1 | 149.1 | 0 | 0 | 0 | 114.4 | ||||
| 441 | M | 27.8 | Very low | 30.8 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -64.6 | 155.1 | 172.4 | -140.9 | 173 | 179.2 | 0 | 0 | 111.9 | Y443 | M441-Y443 HydrophobicContact CE-CD2 3.91Å; M441-Y443 HydrophobicContact CE-CE2 3.76Å; M441-Y443 HydrophobicContact SD-CD2 4.14Å; M441-Y443 HydrophobicContact SD-CE2 4.1Å | ||
| 442 | P | 30 | Very low | 30.5 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -134.7 | 158.9 | 114 | 36.6 | -27.7 | 0 | 0 | 0 | 114.9 | |||||
| 443 | Y | 25.6 | Very low | 30.1 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 71% | 0.71 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 153.4 | 170.5 | -91.8 | -120.3 | 0 | 0 | 0 | 112.3 | M441 | M441-Y443 HydrophobicContact CE-CD2 3.91Å; M441-Y443 HydrophobicContact CE-CE2 3.76Å; M441-Y443 HydrophobicContact SD-CD2 4.14Å; M441-Y443 HydrophobicContact SD-CE2 4.1Å | ||
| 444 | Y | 30.4 | Very low | 29.5 | Very low | 215 Ų | 215 | 159.3 Ų | 159.3 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | 175.5 | 169.4 | 114.9 | -105.9 | -102.5 | 0 | 0 | 0 | 108.5 | |||||
| 445 | P | 40.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 156.4 Ų | 156.4 | 55% | 0.552 | 81% | 0.811 | S | S | * | * | -133.5 | -173.8 | -128 | 39.6 | -18.5 | 0 | 0 | 0 | 115.8 | |||||
| 446 | N | 30.7 | Very low | 29.2 | Very low | 149 Ų | 149 | 153.2 Ų | 153.2 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 53.8 | 102.8 | 153.7 | -61.6 | -20.2 | 0 | 0 | 0 | 119.5 | ||||
| 447 | T | 29.7 | Very low | 29.3 | Very low | 149 Ų | 149 | 157.5 Ų | 157.5 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | -156.7 | 116.6 | 121.5 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 448 | L | 31 | Very low | 29.3 | Very low | 169 Ų | 169 | 160.5 Ų | 160.5 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -95.9 | 172.6 | 156.2 | -76.1 | 170.2 | 0 | 0 | 0 | 108.3 | ||||
| 449 | P | 37.6 | Very low | 29.2 | Very low | 103 Ų | 103 | 158.3 Ų | 158.3 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | cis | -130.9 | 145.2 | -25.8 | 30.5 | -13.2 | 0 | 0 | 0 | 112.6 | ||||
| 450 | Y | 25.5 | Very low | 29.3 | Very low | 233 Ų | 233 | 154.7 Ų | 154.7 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -131.8 | 120.3 | 150.4 | -87.2 | -81.5 | 0 | 0 | 0 | 109 | R452 | Y450-R452 PolarHBondContact O-N 2.86Å; Y450-R452 VanDerWaalsContact O-N 3.08Å | ||
| 451 | G | 25.5 | Very low | 29.6 | Very low | 83 Ų | 83 | 154.1 Ų | 154.1 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -68 | 104.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 452 | R | 26.1 | Very low | 29.7 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | trans | -87.9 | 128.5 | 162.6 | -81.4 | 177.5 | 151.8 | 148.2 | -12.4 | 108.6 | D253 Y450 Y454 | D253-R452 IonicContact OD2-CZ 3.72Å; D253-R452 IonicContact OD2-NE 3.5Å; D253-R452 PolarHBondContact OD2-NE 2.85Å; D253-R452 IonicContact OD2-NH2 3.82Å; D253-R452 PolarHBondContact OD2-NH2 3.23Å; Y450-R452 PolarHBondContact O-N 2.86Å; Y450-R452 VanDerWaalsContact O-N 3.08Å; R452-Y454 HydrophobicContact CB-CD2 4.36Å; R452-Y454 HydrophobicContact CB-CE2 3.89Å; R452-Y454 WeakPolarHBondContact O-CD2 3.39Å | ||
| 453 | V | 24.3 | Very low | 29.7 | Very low | 135 Ų | 135 | 157.1 Ų | 157.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -85.2 | 114.4 | 163.8 | -177.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 454 | Y | 29.6 | Very low | 30.1 | Very low | 223 Ų | 223 | 154.9 Ų | 154.9 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -82.3 | 0 | 174 | -67.3 | -92.4 | 0 | 0 | 0 | 110.4 | S120 R452 | S120-Y454 WeakPolarHBondContact CB-O 3.39Å; R452-Y454 HydrophobicContact CB-CD2 4.36Å; R452-Y454 HydrophobicContact CB-CE2 3.89Å; R452-Y454 WeakPolarHBondContact O-CD2 3.39Å |
Retrieved 454 of 454 residues in 240 ms
(Link to these results)