| 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 | 20.2 | Very low | 22.1 | Very low | 244 Ų | 244 | 141.5 Ų | 141.5 | 100% | 1.202 | 77% | 0.768 | S | S | * | * | 0 | 118.4 | 0 | -100.1 | 170.5 | 135.6 | 0 | 0 | 108.4 | |||||
| 2 | A | 20.5 | Very low | 22.3 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 124.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 3 | I | 21.2 | Very low | 22.6 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 116.5 | -179.8 | -61.8 | 171.9 | 0 | 0 | 0 | 107.7 | L5 | I3-L5 HydrophobicContact CG2-CD1 4.22Å; I3-L5 HydrophobicContact CG2-CG 4.1Å |
| 4 | L | 20.8 | Very low | 23 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 132.7 | 163.2 | -96.5 | 104 | 0 | 0 | 0 | 108.7 | ||
| 5 | L | 21.5 | Very low | 23.3 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -132.4 | 137.5 | 164.2 | -79.6 | 168.4 | 0 | 0 | 0 | 111.2 | I3 | I3-L5 HydrophobicContact CG2-CD1 4.22Å; I3-L5 HydrophobicContact CG2-CG 4.1Å | ||
| 6 | P | 21.6 | Very low | 23.7 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | trans | -95.7 | 150.7 | -169.9 | 37 | -34.2 | 0 | 0 | 0 | 114.9 | ||||
| 7 | L | 26.3 | Very low | 24 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 65% | 0.654 | 69% | 0.688 | S | S | * | * | trans | 22.6 | 120 | 145.7 | -86.7 | 132.2 | 0 | 0 | 0 | 120.3 | ||||
| 8 | K | 21.8 | Very low | 24.4 | Very low | 182 Ų | 182 | 121.1 Ų | 121.1 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | 157.7 | 125.5 | 115.9 | -94.3 | 175 | 175.5 | 175.7 | 0 | 112.6 | |||||
| 9 | S | 22.3 | Very low | 24.4 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | trans | 80.2 | 134.3 | 149.1 | 96.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 10 | I | 23.1 | Very low | 24.5 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | trans | 99.6 | 113.2 | 147.2 | -59.3 | 160.5 | 0 | 0 | 0 | 117.6 | ||||
| 11 | L | 23.3 | Very low | 24.4 | Very low | 156 Ų | 156 | 121.6 Ų | 121.6 | 82% | 0.817 | 67% | 0.666 | S | S | * | * | trans | 85.4 | 139.9 | 158.4 | -68.8 | 155.1 | 0 | 0 | 0 | 120.3 | ||||
| 12 | P | 25.1 | Very low | 24.6 | Very low | 85 Ų | 85 | 118 Ų | 118 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | trans | -85.5 | 176.3 | -170.7 | 16.4 | 4.6 | 0 | 0 | 0 | 109.9 | ||||
| 13 | W | 26.5 | Very low | 24.7 | Very low | 152 Ų | 152 | 117.1 Ų | 117.1 | 58% | 0.576 | 64% | 0.638 | S | S | * | * | trans | 75 | 111.7 | 173.5 | -38 | 88.3 | 0 | 0 | 0 | 114.2 | N47 | W13-N47 HydrophobicContact CE3-CB 4.3Å; W13-N47 HydrophobicContact CH2-CB 3.33Å; W13-N47 WeakPolarHBondContact CH2-ND2 3.2Å; W13-N47 HydrophobicContact CZ2-CB 3.96Å; W13-N47 WeakPolarHBondContact CZ2-ND2 3.44Å; W13-N47 HydrophobicContact CZ3-CB 3.51Å | ||
| 14 | C | 27.2 | Very low | 24.7 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | trans | -133.5 | 113.7 | 167.3 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | I37 | C14-I37 HydrophobicContact CB-CD1 3.28Å; C14-I37 HydrophobicContact CB-CG1 3.99Å; C14-I37 HydrophobicContact CB-CG2 4.12Å; C14-I37 WeakPolarHBondContact SG-CD1 3.17Å; C14-I37 VanDerWaalsContact SG-CG1 3.58Å | ||
| 15 | C | 27.9 | Very low | 24.7 | Very low | 92 Ų | 92 | 113.6 Ų | 113.6 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | trans | -71.6 | 139.3 | 153.9 | -62.2 | 0 | 0 | 0 | 0 | 108.6 | T17 Y95 | C15-T17 PolarHBondContact O-N 3.24Å; C15-Y95 HydrophobicContact CB-CD1 4.12Å; C15-Y95 HydrophobicContact CB-CE1 3.8Å | ||
| 16 | I | 29.8 | Very low | 24.8 | Very low | 73 Ų | 73 | 109.9 Ų | 109.9 | 37% | 0.374 | 64% | 0.635 | S | S | . | * | trans | -84.7 | 106.1 | 168.5 | -58.7 | 174.8 | 0 | 0 | 0 | 107.1 | F18 Y95 | I16-F18 HydrophobicContact CB-CE2 4.27Å; I16-F18 HydrophobicContact CG2-CD2 4.07Å; I16-F18 HydrophobicContact CG2-CE1 4.23Å; I16-F18 HydrophobicContact CG2-CE2 3.41Å; I16-F18 VanDerWaalsContact CG2-CE2 3.41Å; I16-F18 HydrophobicContact CG2-CZ 3.47Å; I16-F18 VanDerWaalsContact CG2-CZ 3.47Å; I16-Y95 WeakPolarHBondContact O-CD1 3.35Å | ||
| 17 | T | 29.4 | Very low | 24.8 | Very low | 96 Ų | 96 | 112.1 Ų | 112.1 | 59% | 0.589 | 65% | 0.652 | S | S | * | * | trans | -85.9 | 115.9 | 172.3 | -50.9 | 0 | 0 | 0 | 0 | 109 | C15 | C15-T17 PolarHBondContact O-N 3.24Š| ||
| 18 | F | 29.8 | Very low | 24.7 | Very low | 47 Ų | 47 | 113 Ų | 113 | 21% | 0.206 | 66% | 0.656 | C | S | . | * | trans | -91.9 | 116 | 166.1 | -67.5 | -81.4 | 0 | 0 | 0 | 109 | I16 F20 A96 F114 | I16-F18 HydrophobicContact CB-CE2 4.27Å; I16-F18 HydrophobicContact CG2-CD2 4.07Å; I16-F18 HydrophobicContact CG2-CE1 4.23Å; I16-F18 HydrophobicContact CG2-CE2 3.41Å; I16-F18 VanDerWaalsContact CG2-CE2 3.41Å; I16-F18 HydrophobicContact CG2-CZ 3.47Å; I16-F18 VanDerWaalsContact CG2-CZ 3.47Å; F18-F20 HydrophobicContact CB-CD2 4.28Å; F18-F20 HydrophobicContact CB-CE2 3.59Å; F18-F20 HydrophobicContact CB-CZ 3.95Å; F18-F20 HydrophobicContact CG-CE2 4.49Å; F18-F20 HydrophobicContact CG-CZ 4.46Å; F18-A96 HydrophobicContact CE2-CB 4.28Å; F18-F114 HydrophobicContact CE1-CB 3.76Å; F18-F114 HydrophobicContact CE1-CD2 4.46Å; F18-F114 HydrophobicContact CE2-CB 4.41Å; F18-F114 HydrophobicContact CE2-CD2 4.44Å; F18-F114 HydrophobicContact CZ-CB 3.67Å; F18-F114 AromaticContact CZ-CD2 3.71Å; F18-F114 HydrophobicContact CZ-CD2 3.71Å; F18-F114 HydrophobicContact CZ-CG 4.1Å | ||
| 19 | S | 26 | Very low | 24.6 | Very low | 115 Ų | 115 | 109 Ų | 109 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -91.9 | 114.1 | 168.3 | -61.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | F | 25.4 | Very low | 24.7 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 44% | 0.443 | 66% | 0.66 | S | S | . | * | trans | -99 | 125 | 170.6 | -62.6 | -82.8 | 0 | 0 | 0 | 109.1 | F18 | F18-F20 HydrophobicContact CB-CD2 4.28Å; F18-F20 HydrophobicContact CB-CE2 3.59Å; F18-F20 HydrophobicContact CB-CZ 3.95Å; F18-F20 HydrophobicContact CG-CE2 4.49Å; F18-F20 HydrophobicContact CG-CZ 4.46Å | ||
| 21 | L | 23.5 | Very low | 24.7 | Very low | 158 Ų | 158 | 111.4 Ų | 111.4 | 83% | 0.827 | 66% | 0.658 | S | S | * | * | trans | -93.6 | 107.7 | 165.7 | -127.8 | 131.7 | 0 | 0 | 0 | 107.3 | S23 | L21-S23 PolarHBondContact O-N 2.99Š| ||
| 22 | L | 22.7 | Very low | 24.8 | Very low | 168 Ų | 168 | 110.1 Ų | 110.1 | 88% | 0.88 | 66% | 0.658 | S | S | * | * | trans | -80.3 | 107.9 | 165.1 | -90.7 | 105.3 | 0 | 0 | 0 | 107.9 | ||||
| 23 | S | 23 | Very low | 24.9 | Very low | 82 Ų | 82 | 110.8 Ų | 110.8 | 57% | 0.573 | 67% | 0.67 | S | S | * | * | trans | -105.6 | 111.7 | 158.3 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | L21 S25 | L21-S23 PolarHBondContact O-N 2.99Å; S23-S25 PolarHBondContact OG-O 2.95Å | ||
| 24 | S | 21.9 | Very low | 24.8 | Very low | 110 Ų | 110 | 109 Ų | 109 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -63 | 124.6 | 157.6 | 47.4 | 0 | 0 | 0 | 0 | 108 | ||
| 25 | S | 21.4 | Very low | 24.7 | Very low | 105 Ų | 105 | 110.5 Ų | 110.5 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 87.5 | 142.1 | -171.9 | 82.3 | 0 | 0 | 0 | 0 | 114.8 | S23 | S23-S25 PolarHBondContact OG-O 2.95Š|
| 26 | G | 23.1 | Very low | 24.6 | Very low | 67 Ų | 67 | 111.5 Ų | 111.5 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -65.2 | -179.7 | -158.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 27 | S | 21.4 | Very low | 24.3 | Very low | 116 Ų | 116 | 112.3 Ų | 112.3 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | trans | 78.8 | 113.8 | -177 | 78.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 28 | I | 23.9 | Very low | 24.1 | Very low | 143 Ų | 143 | 114 Ų | 114 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -93 | 104.2 | 171.6 | -63.1 | 173.6 | 0 | 0 | 0 | 107 | F117 | I28-F117 HydrophobicContact CD1-CE1 4.06Å; I28-F117 HydrophobicContact CD1-CZ 4.11Å | ||
| 29 | S | 20.7 | Very low | 23.9 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | -78 | 135 | 163.1 | 45.4 | 0 | 0 | 0 | 0 | 109.5 | S31 | S29-S31 PolarHBondContact O-N 3.11Š| ||
| 30 | H | 24 | Very low | 23.7 | Very low | 196 Ų | 196 | 120.7 Ų | 120.7 | 91% | 0.907 | 75% | 0.748 | S | S | * | * | trans | -58.6 | 119.9 | 172.8 | -74.8 | -91.1 | 0 | 0 | 0 | 109.8 | ||||
| 31 | S | 22.2 | Very low | 23.6 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -119.3 | 123.4 | 164.2 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | S29 | S29-S31 PolarHBondContact O-N 3.11Š| ||
| 32 | T | 25.1 | Very low | 23.7 | Very low | 130 Ų | 130 | 122 Ų | 122 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -68.8 | 119.4 | 179.9 | 39.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 33 | A | 27.6 | Very low | 23.7 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -129 | 94.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 34 | S | 24.7 | Very low | 23.8 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -84.3 | 111.7 | 173.9 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 35 | S | 24.6 | Very low | 24.1 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -152.7 | 128.5 | 162.6 | 47.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 36 | S | 25.7 | Very low | 24.4 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -109.5 | 141.2 | 179 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 37 | I | 25.2 | Very low | 24.6 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 47% | 0.467 | 76% | 0.755 | S | S | . | * | trans | -137.8 | 135.9 | 177.4 | -63.5 | 154.9 | 0 | 0 | 0 | 109.7 | C14 | C14-I37 HydrophobicContact CB-CD1 3.28Å; C14-I37 HydrophobicContact CB-CG1 3.99Å; C14-I37 HydrophobicContact CB-CG2 4.12Å; C14-I37 WeakPolarHBondContact SG-CD1 3.17Å; C14-I37 VanDerWaalsContact SG-CG1 3.58Å | ||
| 38 | T | 25.3 | Very low | 25 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -96.9 | 130 | 175.7 | -53 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 39 | L | 25.2 | Very low | 25.1 | Very low | 161 Ų | 161 | 122.4 Ų | 122.4 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | -103.6 | 126.7 | 178 | -67.7 | 169.6 | 0 | 0 | 0 | 111 | ||||
| 40 | T | 22.2 | Very low | 25.5 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | trans | -122.1 | 154.5 | 166.6 | 32.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 41 | K | 22.4 | Very low | 25.7 | Very low | 180 Ų | 180 | 121.3 Ų | 121.3 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -73.1 | 140.5 | -157.5 | -154 | 178.8 | -174.9 | -175.7 | 0 | 113.3 | ||||
| 42 | S | 24.7 | Very low | 26.1 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | 74.4 | 103.2 | 154.5 | 174.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 43 | S | 23.5 | Very low | 26.4 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | 175.1 | 152.1 | 114 | 42.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 44 | K | 25.3 | Very low | 26.7 | Very low | 185 Ų | 185 | 123.7 Ų | 123.7 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -46.9 | 141.4 | 178.3 | -88.1 | 176.1 | 172.9 | 176.9 | 0 | 110.9 | T46 | K44-T46 PolarHBondContact O-N 3.3Š| ||
| 45 | P | 27.7 | Very low | 27.3 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | -60 | 112.8 | 178.3 | 24.1 | -31.3 | 0 | 0 | 0 | 110 | ||||
| 46 | T | 27.6 | Very low | 28.1 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 72% | 0.718 | 67% | 0.674 | S | S | * | * | trans | -96.5 | -3.2 | -177.3 | 22.4 | 0 | 0 | 0 | 0 | 114.5 | K44 | K44-T46 PolarHBondContact O-N 3.3Š| ||
| 47 | N | 28.7 | Very low | 28.8 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | trans | -116.6 | 62.3 | 170.1 | -66.6 | -20.8 | 0 | 0 | 0 | 111.5 | W13 | W13-N47 HydrophobicContact CE3-CB 4.3Å; W13-N47 HydrophobicContact CH2-CB 3.33Å; W13-N47 WeakPolarHBondContact CH2-ND2 3.2Å; W13-N47 HydrophobicContact CZ2-CB 3.96Å; W13-N47 WeakPolarHBondContact CZ2-ND2 3.44Å; W13-N47 HydrophobicContact CZ3-CB 3.51Å | ||
| 48 | V | 28.4 | Very low | 30 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 54% | 0.539 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -84.5 | 122.8 | 150.6 | -175.4 | 0 | 0 | 0 | 0 | 105 | S50 | V48-S50 PolarHBondContact O-N 3.39Š|
| 49 | P | 26.5 | Very low | 31 | Very low | 87 Ų | 87 | 116.1 Ų | 116.1 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | trans | -49.5 | 121.1 | 170.5 | -19.2 | 27.5 | 0 | 0 | 0 | 107.4 | N51 S52 | P49-N51 PolarHBondContact O-N 3.33Å; P49-S52 WeakPolarHBondContact CD-OG 2.97Å; P49-S52 PolarHBondContact O-N 3.15Å; P49-S52 PolarHBondContact O-OG 2.75Å | ||
| 50 | S | 29.8 | Very low | 31.8 | Very low | 118 Ų | 118 | 112.9 Ų | 112.9 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -10.4 | -174 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | V48 | V48-S50 PolarHBondContact O-N 3.39Š|
| 51 | N | 26.6 | Very low | 33 | Very low | 153 Ų | 153 | 108.3 Ų | 108.3 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 0.5 | 179.4 | -69.6 | -2.5 | 0 | 0 | 0 | 115 | P49 R53 | P49-N51 PolarHBondContact O-N 3.33Å; N51-R53 PolarHBondContact O-N 3.34Å |
| 52 | S | 30.4 | Very low | 34 | Very low | 34 Ų | 34 | 102.1 Ų | 102.1 | 24% | 0.238 | 57% | 0.572 | C | S | . | * | trans | -97.6 | 80.9 | 169.7 | 62.6 | 0 | 0 | 0 | 0 | 109 | P49 F54 | P49-S52 WeakPolarHBondContact CD-OG 2.97Å; P49-S52 PolarHBondContact O-N 3.15Å; P49-S52 PolarHBondContact O-OG 2.75Å; S52-F54 PolarHBondContact O-N 3.16Å | ||
| 53 | R | 31.4 | Very low | 34.9 | Very low | 233 Ų | 233 | 104.2 Ų | 104.2 | 88% | 0.879 | 56% | 0.563 | S | S | * | * | trans | -64.4 | 84.2 | 155 | -76.3 | -174.4 | -178.5 | 179.3 | 0.9 | 106.5 | N51 D55 | N51-R53 PolarHBondContact O-N 3.34Å; R53-D55 VanDerWaalsContact C-N 3.32Å; R53-D55 PolarHBondContact O-N 3.33Å; R53-D55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | F | 34.7 | Very low | 36 | Very low | 112 Ų | 112 | 99.3 Ų | 99.3 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | trans | -68.3 | 104.6 | 155.9 | -73 | -87 | 0 | 0 | 0 | 104.6 | S52 C56 C88 | S52-F54 PolarHBondContact O-N 3.16Å; F54-C56 WeakPolarHBondContact CB-SG 3.19Å; F54-C56 PolarHBondContact O-N 2.81Å; F54-C88 HydrophobicContact CD1-CB 4.39Å | ||
| 55 | D | 38.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 94.7 Ų | 94.7 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | trans | -64.7 | 85 | 166.1 | -95.2 | -33.7 | 0 | 0 | 0 | 107 | R53 C88 E89 | R53-D55 VanDerWaalsContact C-N 3.32Å; R53-D55 PolarHBondContact O-N 3.33Å; R53-D55 VanDerWaalsContact O-N 3.12Å; D55-C88 WeakPolarHBondContact O-CA 3.25Å; D55-E89 PolarHBondContact O-N 2.94Å | ||
| 56 | C | 40 | Very low | 37.7 | Very low | 52 Ų | 52 | 90.1 Ų | 90.1 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 108.2 | 177.2 | -65.1 | 0 | 0 | 0 | 0 | 107.7 | F54 A87 C88 | F54-C56 WeakPolarHBondContact CB-SG 3.19Å; F54-C56 PolarHBondContact O-N 2.81Å; C56-A87 CarbonylContact C-O 3.47Å; C56-A87 WeakPolarHBondContact CA-O 3.46Å; C56-C88 HydrophobicContact CB-CB 4.15Å; C56-C88 WeakPolarHBondContact CB-SG 3.43Å; C56-C88 WeakPolarHBondContact SG-CB 3.21Å; C56-C88 CovalentContact SG-SG 2.04Å; C56-C88 PolarHBondContact SG-SG 2.93Å |
| 57 | S | 41.8 | Very low | 38.4 | Very low | 76 Ų | 76 | 88.2 Ų | 88.2 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136 | 169.5 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | I59 Y86 A87 | S57-I59 PolarHBondContact O-N 3.43Å; S57-Y86 WeakPolarHBondContact O-CA 2.88Å; S57-A87 PolarHBondContact N-O 3.03Å; S57-A87 PolarHBondContact O-N 2.81Å; S57-A87 PolarHBondContact OG-O 3.21Å |
| 58 | T | 48.5 | Very low | 39.1 | Very low | 76 Ų | 76 | 84.8 Ų | 84.8 | 47% | 0.466 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 111.9 | 170.7 | -56.1 | 0 | 0 | 0 | 0 | 107.4 | Y86 | T58-Y86 HydrophobicContact CG2-CE1 4.3Å; T58-Y86 WeakPolarHBondContact OG1-CE1 3.14Å |
| 59 | I | 46.7 | Very low | 39.6 | Very low | 82 Ų | 82 | 86.2 Ų | 86.2 | 42% | 0.421 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -45.9 | 179.2 | -55.2 | 172.7 | 0 | 0 | 0 | 109.7 | S57 V85 A87 | S57-I59 PolarHBondContact O-N 3.43Å; I59-V85 HydrophobicContact CB-CG1 4.49Å; I59-V85 HydrophobicContact CD1-CG1 4.02Å; I59-V85 PolarHBondContact N-O 3.2Å; I59-A87 HydrophobicContact CD1-CB 3.32Å; I59-A87 HydrophobicContact CG1-CB 3.51Å |
| 60 | N | 42.7 | Very low | 40.3 | Very low | 93 Ų | 93 | 84.9 Ų | 84.9 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 152.3 | -176 | -152.1 | -17.8 | 0 | 0 | 0 | 110.5 | S84 V85 | N60-S84 WeakPolarHBondContact O-CA 3.38Å; N60-V85 PolarHBondContact N-O 3.27Å; N60-V85 PolarHBondContact O-N 2.78Å |
| 61 | T | 46.1 | Very low | 40.8 | Very low | 45 Ų | 45 | 85.5 Ų | 85.5 | 28% | 0.276 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 126.2 | 172.8 | -64.4 | 0 | 0 | 0 | 0 | 108.3 | R82 A83 S84 | T61-R82 HydrophobicContact CG2-CG 3.72Å; T61-R82 VanDerWaalsContact CG2-NE 3.29Å; T61-A83 CarbonylContact C-O 3.47Å; T61-A83 VanDerWaalsContact CA-O 3.3Å; T61-A83 WeakPolarHBondContact CA-O 3.48Å; T61-S84 WeakPolarHBondContact CG2-OG 3.42Å; T61-S84 PolarHBondContact OG1-OG 2.78Å |
| 62 | F | 45.2 | Very low | 41.7 | Very low | 50 Ų | 50 | 86.9 Ų | 86.9 | 22% | 0.219 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.7 | -179 | 49.2 | -85.4 | 0 | 0 | 0 | 111 | L64 A83 V85 F114 I123 | F62-L64 HydrophobicContact CD2-CD1 3.8Å; F62-L64 HydrophobicContact CE2-CD1 3.49Å; F62-L64 VanDerWaalsContact CE2-CD1 3.49Å; F62-A83 HydrophobicContact CD2-CB 3.78Å; F62-A83 HydrophobicContact CE1-CB 4.27Å; F62-A83 HydrophobicContact CE2-CB 3.32Å; F62-A83 HydrophobicContact CG-CB 4.41Å; F62-A83 HydrophobicContact CZ-CB 3.59Å; F62-A83 PolarHBondContact N-O 2.96Å; F62-A83 PolarHBondContact O-N 2.88Å; F62-V85 HydrophobicContact CE1-CG2 3.76Å; F62-V85 HydrophobicContact CZ-CG2 4.28Å; F62-F114 AromaticContact CE2-CE1 3.74Å; F62-F114 HydrophobicContact CE2-CE1 3.74Å; F62-F114 HydrophobicContact CE2-CZ 4.32Å; F62-F114 HydrophobicContact CZ-CD1 4.35Å; F62-F114 AromaticContact CZ-CE1 3.5Å; F62-F114 HydrophobicContact CZ-CE1 3.5Å; F62-F114 HydrophobicContact CZ-CZ 4.2Å; F62-I123 HydrophobicContact CD2-CD1 4.27Å; F62-I123 HydrophobicContact CE2-CD1 3.93Å |
| 63 | W | 42.4 | Very low | 42.2 | Very low | 152 Ų | 152 | 87.5 Ų | 87.5 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128 | 175.8 | -65.3 | 89.6 | 0 | 0 | 0 | 109.2 | I80 L81 R82 I101 | W63-I80 HydrophobicContact CE3-CG2 3.68Å; W63-I80 HydrophobicContact CZ3-CG2 4.06Å; W63-L81 WeakPolarHBondContact CA-O 3.35Å; W63-R82 HydrophobicContact CE3-CB 4.36Å; W63-R82 HydrophobicContact CZ3-CB 4.37Å; W63-I101 HydrophobicContact CE3-CD1 4.48Å; W63-I101 HydrophobicContact CE3-CG1 4.3Å; W63-I101 HydrophobicContact CH2-CD1 3.56Å; W63-I101 HydrophobicContact CH2-CG1 4.2Å; W63-I101 HydrophobicContact CZ3-CB 4.26Å; W63-I101 HydrophobicContact CZ3-CD1 3.38Å; W63-I101 HydrophobicContact CZ3-CG1 3.49Å; W63-I101 VanDerWaalsContact CZ3-CG1 3.49Å; W63-I101 HydrophobicContact CZ3-CG2 4.21Å |
| 64 | L | 46.9 | Very low | 42.6 | Very low | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.026 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.2 | 174.1 | -122.8 | 112.7 | 0 | 0 | 0 | 108 | F62 V66 I80 L81 A83 L112 I123 F125 | F62-L64 HydrophobicContact CD2-CD1 3.8Å; F62-L64 HydrophobicContact CE2-CD1 3.49Å; F62-L64 VanDerWaalsContact CE2-CD1 3.49Å; L64-V66 HydrophobicContact CD2-CG2 3.82Å; L64-I80 CarbonylContact O-C 3.53Å; L64-I80 WeakPolarHBondContact O-CA 3.18Å; L64-L81 HydrophobicContact CB-CB 3.79Å; L64-L81 HydrophobicContact CD2-CD1 4.19Å; L64-L81 PolarHBondContact N-O 3.46Å; L64-L81 PolarHBondContact O-N 2.82Å; L64-A83 HydrophobicContact CD1-CB 4.05Å; L64-L112 HydrophobicContact CD1-CD2 4.39Å; L64-L112 HydrophobicContact CD2-CD2 3.5Å; L64-L112 VanDerWaalsContact CD2-CD2 3.5Å; L64-I123 HydrophobicContact CD1-CD1 3.55Å; L64-I123 HydrophobicContact CD1-CG1 4.32Å; L64-I123 HydrophobicContact CD1-CG2 4.48Å; L64-I123 HydrophobicContact CD2-CG2 4.21Å; L64-I123 HydrophobicContact CG-CD1 4.14Å; L64-F125 HydrophobicContact CD2-CE1 3.22Å; L64-F125 HydrophobicContact CD2-CZ 3.26Å; L64-F125 HydrophobicContact CG-CE1 4.42Å; L64-F125 HydrophobicContact CG-CZ 4.04Å |
| 65 | I | 44.1 | Very low | 43.1 | Very low | 88 Ų | 88 | 83.5 Ų | 83.5 | 45% | 0.451 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114.3 | 173.6 | -56.9 | 172.9 | 0 | 0 | 0 | 107.6 | L67 R78 I80 | I65-L67 HydrophobicContact CG2-CD2 3.95Å; I65-L67 HydrophobicContact CG2-CG 4.19Å; I65-R78 HydrophobicContact CG2-CG 4.27Å; I65-I80 HydrophobicContact CG1-CG2 4.43Å |
| 66 | V | 45.6 | Very low | 43.5 | Very low | 6 Ų | 6 | 81.7 Ų | 81.7 | 4% | 0.036 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.9 | -175.7 | 174.4 | 0 | 0 | 0 | 0 | 107 | L64 L79 L110 F125 Y127 | L64-V66 HydrophobicContact CD2-CG2 3.82Å; V66-L79 HydrophobicContact CB-CB 3.94Å; V66-L79 HydrophobicContact CB-CD2 3.92Å; V66-L79 HydrophobicContact CB-CG 4.28Å; V66-L79 HydrophobicContact CG1-CB 4.29Å; V66-L79 HydrophobicContact CG1-CD2 4.02Å; V66-L79 HydrophobicContact CG2-CD2 4.17Å; V66-L79 PolarHBondContact N-O 2.8Å; V66-L79 PolarHBondContact O-N 3.02Å; V66-L110 HydrophobicContact CG1-CD1 3.88Å; V66-L110 HydrophobicContact CG2-CD2 4.49Å; V66-F125 HydrophobicContact CG2-CD1 4.05Å; V66-F125 HydrophobicContact CG2-CE1 3.32Å; V66-F125 HydrophobicContact CG2-CZ 3.82Å; V66-Y127 HydrophobicContact CG1-CE1 4.4Å; V66-Y127 WeakPolarHBondContact CG1-OH 3.4Å |
| 67 | L | 41.8 | Very low | 43.7 | Very low | 77 Ų | 77 | 80.4 Ų | 80.4 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.5 | -177.3 | -60.7 | 175.8 | 0 | 0 | 0 | 109.1 | I65 I75 R78 Y127 | I65-L67 HydrophobicContact CG2-CD2 3.95Å; I65-L67 HydrophobicContact CG2-CG 4.19Å; L67-I75 HydrophobicContact CD1-CD1 4.25Å; L67-I75 HydrophobicContact CD2-CG2 4.36Å; L67-R78 HydrophobicContact CD2-CB 3.99Å; L67-R78 HydrophobicContact CD2-CG 3.81Å; L67-Y127 PolarHBondContact O-OH 2.86Å |
| 68 | S | 43 | Very low | 43.9 | Very low | 40 Ų | 40 | 83.5 Ų | 83.5 | 28% | 0.28 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.3 | 166.6 | 70.7 | 0 | 0 | 0 | 0 | 109.1 | I75 S76 G77 | S68-I75 CarbonylContact O-C 3.55Å; S68-I75 WeakPolarHBondContact O-CA 3Å; S68-S76 PolarHBondContact O-N 2.99Å; S68-S76 PolarHBondContact O-OG 3.27Å; S68-S76 PolarHBondContact OG-OG 2.79Å; S68-G77 PolarHBondContact N-O 3.26Å; S68-G77 PolarHBondContact O-N 2.74Å; S68-G77 WeakPolarHBondContact OG-CA 3.43Å; S68-G77 PolarHBondContact OG-N 3.01Å; S68-G77 PolarHBondContact OG-O 3.25Å |
| 69 | M | 38.9 | Very low | 43.6 | Very low | 119 Ų | 119 | 80.1 Ų | 80.1 | 59% | 0.586 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.5 | 175.6 | -63.1 | -174.3 | 71.6 | 0 | 0 | 110.2 | G73 K74 | M69-G73 WeakPolarHBondContact CE-O 3.44Å; M69-K74 CarbonylContact C-O 3.56Å; M69-K74 WeakPolarHBondContact CA-O 3.47Å |
| 70 | T | 41 | Very low | 43.5 | Very low | 58 Ų | 58 | 77 Ų | 77 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | trans | -75.6 | 162.1 | 167 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | K72 G73 K74 | T70-K72 PolarHBondContact O-N 3.02Å; T70-K72 PolarHBondContact OG1-N 2.8Å; T70-G73 PolarHBondContact O-N 3.02Å; T70-K74 PolarHBondContact N-O 2.89Å; T70-K74 WeakPolarHBondContact OG1-CB 3.44Å; T70-K74 PolarHBondContact OG1-N 3.41Å; T70-K74 PolarHBondContact OG1-O 3.42Å | ||
| 71 | S | 39.8 | Very low | 43.7 | Very low | 131 Ų | 131 | 72.9 Ų | 72.9 | 92% | 0.916 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.9 | 170 | 56 | 0 | 0 | 0 | 0 | 114 | ||
| 72 | K | 46.3 | Very low | 43.6 | Very low | 182 Ų | 182 | 75.7 Ų | 75.7 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 12.6 | 176.1 | -60.4 | -173.8 | 179 | -176 | 0 | 113.2 | T70 K74 | T70-K72 PolarHBondContact O-N 3.02Å; T70-K72 PolarHBondContact OG1-N 2.8Å; K72-K74 VanDerWaalsContact C-N 3.26Å; K72-K74 PolarHBondContact O-N 3.46Å |
| 73 | G | 39.9 | Very low | 43.9 | Very low | 47 Ų | 47 | 73.3 Ų | 73.3 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 75.1 | 5.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | M69 T70 | M69-G73 WeakPolarHBondContact CE-O 3.44Å; T70-G73 PolarHBondContact O-N 3.02Å |
| 74 | K | 41.2 | Very low | 44 | Very low | 153 Ų | 153 | 66.6 Ų | 66.6 | 67% | 0.665 | 36% | 0.356 | S | S | * | . | trans | -86.1 | 137.1 | 175.1 | -63.1 | -172 | 177.7 | -174.5 | 0 | 111.1 | M69 T70 K72 S76 | M69-K74 CarbonylContact C-O 3.56Å; M69-K74 WeakPolarHBondContact CA-O 3.47Å; T70-K74 PolarHBondContact N-O 2.89Å; T70-K74 WeakPolarHBondContact OG1-CB 3.44Å; T70-K74 PolarHBondContact OG1-N 3.41Å; T70-K74 PolarHBondContact OG1-O 3.42Å; K72-K74 VanDerWaalsContact C-N 3.26Å; K72-K74 PolarHBondContact O-N 3.46Å; K74-S76 PolarHBondContact O-N 3.17Å | ||
| 75 | I | 45 | Very low | 44 | Very low | 108 Ų | 108 | 66.7 Ų | 66.7 | 55% | 0.554 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 121.7 | 171.4 | -60.3 | 171.6 | 0 | 0 | 0 | 108.8 | L67 S68 | L67-I75 HydrophobicContact CD1-CD1 4.25Å; L67-I75 HydrophobicContact CD2-CG2 4.36Å; S68-I75 CarbonylContact O-C 3.55Å; S68-I75 WeakPolarHBondContact O-CA 3Å |
| 76 | S | 47 | Very low | 44 | Very low | 76 Ų | 76 | 65.9 Ų | 65.9 | 53% | 0.531 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -14.4 | -179.5 | 56 | 0 | 0 | 0 | 0 | 113.6 | S68 K74 | S68-S76 PolarHBondContact O-N 2.99Å; S68-S76 PolarHBondContact O-OG 3.27Å; S68-S76 PolarHBondContact OG-OG 2.79Å; K74-S76 PolarHBondContact O-N 3.17Å |
| 77 | G | 43.9 | Very low | 43.8 | Very low | 25 Ų | 25 | 67.1 Ų | 67.1 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 151.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S68 | S68-G77 PolarHBondContact N-O 3.26Å; S68-G77 PolarHBondContact O-N 2.74Å; S68-G77 WeakPolarHBondContact OG-CA 3.43Å; S68-G77 PolarHBondContact OG-N 3.01Å; S68-G77 PolarHBondContact OG-O 3.25Å |
| 78 | R | 45.6 | Very low | 43.7 | Very low | 141 Ų | 141 | 64 Ų | 64 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.3 | 176.4 | 178.6 | 174.9 | 180 | -172.4 | -1.2 | 107.8 | I65 L67 I80 | I65-R78 HydrophobicContact CG2-CG 4.27Å; L67-R78 HydrophobicContact CD2-CB 3.99Å; L67-R78 HydrophobicContact CD2-CG 3.81Å; R78-I80 HydrophobicContact CG-CG1 4.04Å; R78-I80 VanDerWaalsContact CZ-CD1 3.47Å; R78-I80 VanDerWaalsContact NH2-CD1 3.26Å |
| 79 | L | 43.5 | Very low | 43.3 | Very low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.3 | 168.5 | 168.9 | 76 | 0 | 0 | 0 | 106.8 | V66 L81 T100 Y102 F108 L110 | V66-L79 HydrophobicContact CB-CB 3.94Å; V66-L79 HydrophobicContact CB-CD2 3.92Å; V66-L79 HydrophobicContact CB-CG 4.28Å; V66-L79 HydrophobicContact CG1-CB 4.29Å; V66-L79 HydrophobicContact CG1-CD2 4.02Å; V66-L79 HydrophobicContact CG2-CD2 4.17Å; V66-L79 PolarHBondContact N-O 2.8Å; V66-L79 PolarHBondContact O-N 3.02Å; L79-L81 HydrophobicContact CD1-CD2 3.78Å; L79-L81 HydrophobicContact CD1-CG 4.38Å; L79-L81 HydrophobicContact CD2-CD1 3.85Å; L79-L81 HydrophobicContact CD2-CD2 3.88Å; L79-L81 HydrophobicContact CD2-CG 3.79Å; L79-L81 HydrophobicContact CG-CD2 3.87Å; L79-L81 HydrophobicContact CG-CG 3.92Å; L79-T100 HydrophobicContact CD1-CG2 3.51Å; L79-Y102 WeakPolarHBondContact CD1-O 3.45Å; L79-F108 HydrophobicContact CB-CE1 3.95Å; L79-F108 HydrophobicContact CB-CZ 4.05Å; L79-F108 HydrophobicContact CD1-CE1 3.94Å; L79-F108 HydrophobicContact CD1-CZ 3.58Å; L79-F108 HydrophobicContact CD2-CE1 3.95Å; L79-F108 HydrophobicContact CD2-CE2 3.72Å; L79-F108 HydrophobicContact CD2-CZ 3.18Å; L79-F108 HydrophobicContact CG-CE1 4.14Å; L79-F108 HydrophobicContact CG-CZ 3.74Å; L79-L110 HydrophobicContact CD2-CD2 3.66Å |
| 80 | I | 44.2 | Very low | 43 | Very low | 16 Ų | 16 | 69.5 Ų | 69.5 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.8 | 171.4 | -51.8 | -177 | 0 | 0 | 0 | 107 | W63 L64 I65 R78 I101 Y102 | W63-I80 HydrophobicContact CE3-CG2 3.68Å; W63-I80 HydrophobicContact CZ3-CG2 4.06Å; L64-I80 CarbonylContact O-C 3.53Å; L64-I80 WeakPolarHBondContact O-CA 3.18Å; I65-I80 HydrophobicContact CG1-CG2 4.43Å; R78-I80 HydrophobicContact CG-CG1 4.04Å; R78-I80 VanDerWaalsContact CZ-CD1 3.47Å; R78-I80 VanDerWaalsContact NH2-CD1 3.26Å; I80-I101 HydrophobicContact CB-CB 4.34Å; I80-I101 HydrophobicContact CG2-CB 4.35Å; I80-I101 PolarHBondContact O-N 2.83Å; I80-Y102 HydrophobicContact CB-CD2 4.29Å; I80-Y102 HydrophobicContact CD1-CD2 3.74Å; I80-Y102 HydrophobicContact CD1-CE2 4.22Å; I80-Y102 HydrophobicContact CG1-CD2 4.22Å |
| 81 | L | 45.6 | Very low | 42.6 | Very low | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 144.3 | 173.4 | -54.9 | 174.4 | 0 | 0 | 0 | 109.2 | W63 L64 L79 C98 E99 T100 L110 L112 | W63-L81 WeakPolarHBondContact CA-O 3.35Å; L64-L81 HydrophobicContact CB-CB 3.79Å; L64-L81 HydrophobicContact CD2-CD1 4.19Å; L64-L81 PolarHBondContact N-O 3.46Å; L64-L81 PolarHBondContact O-N 2.82Å; L79-L81 HydrophobicContact CD1-CD2 3.78Å; L79-L81 HydrophobicContact CD1-CG 4.38Å; L79-L81 HydrophobicContact CD2-CD1 3.85Å; L79-L81 HydrophobicContact CD2-CD2 3.88Å; L79-L81 HydrophobicContact CD2-CG 3.79Å; L79-L81 HydrophobicContact CG-CD2 3.87Å; L79-L81 HydrophobicContact CG-CG 3.92Å; L81-C98 HydrophobicContact CD1-CB 4.45Å; L81-E99 CarbonylContact C-O 3.54Å; L81-E99 WeakPolarHBondContact CA-O 3.3Å; L81-T100 HydrophobicContact CD2-CG2 4.27Å; L81-T100 VanDerWaalsContact CD2-OG1 3.25Å; L81-T100 WeakPolarHBondContact CD2-OG1 3.5Å; L81-L110 HydrophobicContact CD1-CD2 3.62Å; L81-L112 HydrophobicContact CD1-CD1 3.91Å |
| 82 | R | 45.1 | Very low | 42.2 | Very low | 105 Ų | 105 | 69.7 Ų | 69.7 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.4 | 163 | -177.9 | 178.6 | -179.5 | 179.5 | 1.1 | 107.2 | T61 W63 C98 E99 I101 | T61-R82 HydrophobicContact CG2-CG 3.72Å; T61-R82 VanDerWaalsContact CG2-NE 3.29Å; W63-R82 HydrophobicContact CE3-CB 4.36Å; W63-R82 HydrophobicContact CZ3-CB 4.37Å; R82-C98 CarbonylContact O-C 3.53Å; R82-C98 WeakPolarHBondContact O-CA 3.38Å; R82-E99 HydrophobicContact CB-CB 4.44Å; R82-E99 PolarHBondContact N-O 2.87Å; R82-E99 PolarHBondContact O-N 3.19Å; R82-I101 HydrophobicContact CB-CD1 3.99Å; R82-I101 HydrophobicContact CB-CG1 4.1Å |
| 83 | A | 50.6 | Low | 41.7 | Very low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.5 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | T61 F62 L64 C97 | T61-A83 CarbonylContact C-O 3.47Å; T61-A83 VanDerWaalsContact CA-O 3.3Å; T61-A83 WeakPolarHBondContact CA-O 3.48Å; F62-A83 HydrophobicContact CD2-CB 3.78Å; F62-A83 HydrophobicContact CE1-CB 4.27Å; F62-A83 HydrophobicContact CE2-CB 3.32Å; F62-A83 HydrophobicContact CG-CB 4.41Å; F62-A83 HydrophobicContact CZ-CB 3.59Å; F62-A83 PolarHBondContact N-O 2.96Å; F62-A83 PolarHBondContact O-N 2.88Å; L64-A83 HydrophobicContact CD1-CB 4.05Å; A83-C97 CarbonylContact C-O 3.53Å; A83-C97 VanDerWaalsContact CA-O 3.23Å; A83-C97 WeakPolarHBondContact CA-O 3.46Å |
| 84 | S | 46.1 | Very low | 41.5 | Very low | 11 Ų | 11 | 66.4 Ų | 66.4 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.9 | 177.4 | -67.8 | 0 | 0 | 0 | 0 | 109.9 | N60 T61 Y86 A96 C97 | N60-S84 WeakPolarHBondContact O-CA 3.38Å; T61-S84 WeakPolarHBondContact CG2-OG 3.42Å; T61-S84 PolarHBondContact OG1-OG 2.78Å; S84-Y86 VanDerWaalsContact CB-CE2 3.48Å; S84-Y86 WeakPolarHBondContact CB-OH 3.11Å; S84-A96 WeakPolarHBondContact O-CA 3.23Å; S84-C97 PolarHBondContact N-O 2.7Å; S84-C97 PolarHBondContact O-N 3.43Å |
| 85 | V | 46.7 | Very low | 41.4 | Very low | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.2 | 177 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | I59 N60 F62 R94 Y95 | I59-V85 HydrophobicContact CB-CG1 4.49Å; I59-V85 HydrophobicContact CD1-CG1 4.02Å; I59-V85 PolarHBondContact N-O 3.2Å; N60-V85 PolarHBondContact N-O 3.27Å; N60-V85 PolarHBondContact O-N 2.78Å; F62-V85 HydrophobicContact CE1-CG2 3.76Å; F62-V85 HydrophobicContact CZ-CG2 4.28Å; V85-R94 HydrophobicContact CG1-CB 4.43Å; V85-Y95 WeakPolarHBondContact CA-O 3.35Å |
| 86 | Y | 44 | Very low | 41.2 | Very low | 71 Ų | 71 | 57.4 Ų | 57.4 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 138.6 | -179 | -59 | -90.8 | 0 | 0 | 0 | 110.4 | S57 T58 S84 Y95 C97 | S57-Y86 WeakPolarHBondContact O-CA 2.88Å; T58-Y86 HydrophobicContact CG2-CE1 4.3Å; T58-Y86 WeakPolarHBondContact OG1-CE1 3.14Å; S84-Y86 VanDerWaalsContact CB-CE2 3.48Å; S84-Y86 WeakPolarHBondContact CB-OH 3.11Å; Y86-Y95 PolarHBondContact N-O 2.92Å; Y86-C97 HydrophobicContact CE2-CB 4.19Å |
| 87 | A | 40 | Very low | 41 | Very low | 32 Ų | 32 | 57.2 Ų | 57.2 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108 | C56 S57 I59 | C56-A87 CarbonylContact C-O 3.47Å; C56-A87 WeakPolarHBondContact CA-O 3.46Å; S57-A87 PolarHBondContact N-O 3.03Å; S57-A87 PolarHBondContact O-N 2.81Å; S57-A87 PolarHBondContact OG-O 3.21Å; I59-A87 HydrophobicContact CD1-CB 3.32Å; I59-A87 HydrophobicContact CG1-CB 3.51Å |
| 88 | C | 40.6 | Very low | 40.9 | Very low | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.1 | 178.2 | -48 | 0 | 0 | 0 | 0 | 109.1 | F54 D55 C56 C90 T91 | F54-C88 HydrophobicContact CD1-CB 4.39Å; D55-C88 WeakPolarHBondContact O-CA 3.25Å; C56-C88 HydrophobicContact CB-CB 4.15Å; C56-C88 WeakPolarHBondContact CB-SG 3.43Å; C56-C88 WeakPolarHBondContact SG-CB 3.21Å; C56-C88 CovalentContact SG-SG 2.04Å; C56-C88 PolarHBondContact SG-SG 2.93Å; C88-C90 PolarHBondContact O-N 3.44Å; C88-T91 PolarHBondContact O-N 2.84Å |
| 89 | E | 35.2 | Very low | 40.6 | Very low | 167 Ų | 167 | 57.2 Ų | 57.2 | 78% | 0.78 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18.7 | -167.2 | -73.5 | -170.4 | 153.1 | 0 | 0 | 115.3 | D55 | D55-E89 PolarHBondContact O-N 2.94Š|
| 90 | C | 32.2 | Very low | 40.5 | Very low | 107 Ų | 107 | 60.5 Ų | 60.5 | 72% | 0.723 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -1 | -173 | -56.2 | 0 | 0 | 0 | 0 | 115.4 | C88 | C88-C90 PolarHBondContact O-N 3.44Š|
| 91 | T | 32.1 | Very low | 40.1 | Very low | 56 Ų | 56 | 62.6 Ų | 62.6 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 138.9 | -179.8 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | C88 I93 | C88-T91 PolarHBondContact O-N 2.84Å; T91-I93 HydrophobicContact CG2-CD1 3.94Å; T91-I93 PolarHBondContact O-N 2.04Å |
| 92 | C | 32 | Very low | 39.6 | Very low | 137 Ų | 137 | 69.3 Ų | 69.3 | 93% | 0.926 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 20.2 | 170.5 | -57.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 93 | I | 34.4 | Very low | 39.2 | Very low | 47 Ų | 47 | 67.7 Ų | 67.7 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 107.9 | -174 | -50.4 | 164.7 | 0 | 0 | 0 | 107.8 | T91 Y95 | T91-I93 HydrophobicContact CG2-CD1 3.94Å; T91-I93 PolarHBondContact O-N 2.04Å; I93-Y95 HydrophobicContact CB-CD2 4.46Å; I93-Y95 HydrophobicContact CB-CE1 4.43Å; I93-Y95 HydrophobicContact CB-CE2 3.74Å; I93-Y95 WeakPolarHBondContact CD1-OH 3.49Å; I93-Y95 HydrophobicContact CG2-CD1 3.88Å; I93-Y95 HydrophobicContact CG2-CD2 3.98Å; I93-Y95 HydrophobicContact CG2-CE1 3.33Å; I93-Y95 HydrophobicContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CE2 3.45Å; I93-Y95 HydrophobicContact CG2-CG 4.2Å; I93-Y95 WeakPolarHBondContact CG2-OH 3.42Å |
| 94 | R | 37.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 69.9 Ų | 69.9 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 112.1 | 169.3 | -65.7 | -177.7 | -179.5 | 174.7 | 1.1 | 107.7 | V85 | V85-R94 HydrophobicContact CG1-CB 4.43Å |
| 95 | Y | 39.1 | Very low | 38.2 | Very low | 62 Ų | 62 | 81.6 Ų | 81.6 | 24% | 0.243 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.6 | 174.7 | -57.2 | -83.8 | 0 | 0 | 0 | 109.4 | C15 I16 V85 Y86 I93 | C15-Y95 HydrophobicContact CB-CD1 4.12Å; C15-Y95 HydrophobicContact CB-CE1 3.8Å; I16-Y95 WeakPolarHBondContact O-CD1 3.35Å; V85-Y95 WeakPolarHBondContact CA-O 3.35Å; Y86-Y95 PolarHBondContact N-O 2.92Å; I93-Y95 HydrophobicContact CB-CD2 4.46Å; I93-Y95 HydrophobicContact CB-CE1 4.43Å; I93-Y95 HydrophobicContact CB-CE2 3.74Å; I93-Y95 WeakPolarHBondContact CD1-OH 3.49Å; I93-Y95 HydrophobicContact CG2-CD1 3.88Å; I93-Y95 HydrophobicContact CG2-CD2 3.98Å; I93-Y95 HydrophobicContact CG2-CE1 3.33Å; I93-Y95 HydrophobicContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CE2 3.45Å; I93-Y95 HydrophobicContact CG2-CG 4.2Å; I93-Y95 WeakPolarHBondContact CG2-OH 3.42Å |
| 96 | A | 40.3 | Very low | 37.6 | Very low | 10 Ų | 10 | 89.2 Ų | 89.2 | 8% | 0.083 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F18 S84 F114 | F18-A96 HydrophobicContact CE2-CB 4.28Å; S84-A96 WeakPolarHBondContact O-CA 3.23Å; A96-F114 HydrophobicContact CB-CD2 4.04Å; A96-F114 HydrophobicContact CB-CE2 3.85Å; A96-F114 HydrophobicContact CB-CZ 4.21Å |
| 97 | C | 41.8 | Very low | 37.1 | Very low | 71 Ų | 71 | 92.4 Ų | 92.4 | 48% | 0.48 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.6 | 175 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | A83 S84 Y86 | A83-C97 CarbonylContact C-O 3.53Å; A83-C97 VanDerWaalsContact CA-O 3.23Å; A83-C97 WeakPolarHBondContact CA-O 3.46Å; S84-C97 PolarHBondContact N-O 2.7Å; S84-C97 PolarHBondContact O-N 3.43Å; Y86-C97 HydrophobicContact CE2-CB 4.19Å |
| 98 | C | 42.1 | Very low | 36.9 | Very low | 49 Ų | 49 | 95.1 Ų | 95.1 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.7 | 176.3 | -65 | 0 | 0 | 0 | 0 | 110.2 | L81 R82 L112 | L81-C98 HydrophobicContact CD1-CB 4.45Å; R82-C98 CarbonylContact O-C 3.53Å; R82-C98 WeakPolarHBondContact O-CA 3.38Å; C98-L112 HydrophobicContact CB-CD1 4.39Å |
| 99 | E | 40.5 | Very low | 36.7 | Very low | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.3 | 172.2 | -176 | 177.4 | -161.6 | 0 | 0 | 109.7 | L81 R82 I101 | L81-E99 CarbonylContact C-O 3.54Å; L81-E99 WeakPolarHBondContact CA-O 3.3Å; R82-E99 HydrophobicContact CB-CB 4.44Å; R82-E99 PolarHBondContact N-O 2.87Å; R82-E99 PolarHBondContact O-N 3.19Å; E99-I101 PolarHBondContact O-N 2.88Å |
| 100 | T | 40.4 | Very low | 36.8 | Very low | 73 Ų | 73 | 92.1 Ų | 92.1 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.4 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | L79 L81 P103 | L79-T100 HydrophobicContact CD1-CG2 3.51Å; L81-T100 HydrophobicContact CD2-CG2 4.27Å; L81-T100 VanDerWaalsContact CD2-OG1 3.25Å; L81-T100 WeakPolarHBondContact CD2-OG1 3.5Å; T100-P103 HydrophobicContact CG2-CB 4.29Å |
| 101 | I | 36 | Very low | 37.1 | Very low | 60 Ų | 60 | 89.4 Ų | 89.4 | 31% | 0.308 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -39.3 | -178.2 | -55.7 | -96.3 | 0 | 0 | 0 | 110 | W63 I80 R82 E99 | W63-I101 HydrophobicContact CE3-CD1 4.48Å; W63-I101 HydrophobicContact CE3-CG1 4.3Å; W63-I101 HydrophobicContact CH2-CD1 3.56Å; W63-I101 HydrophobicContact CH2-CG1 4.2Å; W63-I101 HydrophobicContact CZ3-CB 4.26Å; W63-I101 HydrophobicContact CZ3-CD1 3.38Å; W63-I101 HydrophobicContact CZ3-CG1 3.49Å; W63-I101 VanDerWaalsContact CZ3-CG1 3.49Å; W63-I101 HydrophobicContact CZ3-CG2 4.21Å; I80-I101 HydrophobicContact CB-CB 4.34Å; I80-I101 HydrophobicContact CG2-CB 4.35Å; I80-I101 PolarHBondContact O-N 2.83Å; R82-I101 HydrophobicContact CB-CD1 3.99Å; R82-I101 HydrophobicContact CB-CG1 4.1Å; E99-I101 PolarHBondContact O-N 2.88Å |
| 102 | Y | 34.5 | Very low | 37.5 | Very low | 148 Ų | 148 | 88.6 Ų | 88.6 | 58% | 0.58 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 108.8 | 173.7 | -72.8 | -78.7 | 0 | 0 | 0 | 110 | L79 I80 | L79-Y102 WeakPolarHBondContact CD1-O 3.45Å; I80-Y102 HydrophobicContact CB-CD2 4.29Å; I80-Y102 HydrophobicContact CD1-CD2 3.74Å; I80-Y102 HydrophobicContact CD1-CE2 4.22Å; I80-Y102 HydrophobicContact CG1-CD2 4.22Å |
| 103 | P | 37.9 | Very low | 37.7 | Very low | 70 Ų | 70 | 87.4 Ų | 87.4 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | trans | -68.8 | 147 | 177.5 | 28.1 | -32.6 | 0 | 0 | 0 | 110.3 | T100 | T100-P103 HydrophobicContact CG2-CB 4.29Š| ||
| 104 | P | 35.9 | Very low | 37.8 | Very low | 47 Ų | 47 | 86 Ų | 86 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | trans | -65.2 | 154.6 | 176.6 | 33.6 | -40.8 | 0 | 0 | 0 | 111.7 | K106 F108 | P104-K106 WeakPolarHBondContact CB-O 3.22Å; P104-K106 WeakPolarHBondContact CG-O 3.15Å; P104-K106 PolarHBondContact O-N 2.83Å; P104-F108 HydrophobicContact CB-CD1 3.35Å; P104-F108 HydrophobicContact CB-CE1 3.3Å; P104-F108 VanDerWaalsContact CD-CE1 3.45Å; P104-F108 HydrophobicContact CG-CD1 3.28Å; P104-F108 HydrophobicContact CG-CE1 3.07Å; P104-F108 HydrophobicContact CG-CG 4.43Å; P104-F108 HydrophobicContact CG-CZ 4.02Å | ||
| 105 | R | 38.3 | Very low | 37.4 | Very low | 256 Ų | 256 | 84.8 Ų | 84.8 | 97% | 0.966 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -70.9 | -13.4 | 170.8 | -65.7 | -174.1 | 179.5 | -177 | -0.5 | 113.7 | ||
| 106 | K | 34.5 | Very low | 37.1 | Very low | 168 Ų | 168 | 85.5 Ų | 85.5 | 73% | 0.73 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -135.7 | 144.3 | 178.6 | -67.7 | -173.5 | 179.3 | -176.5 | 0 | 110.1 | P104 F108 | P104-K106 WeakPolarHBondContact CB-O 3.22Å; P104-K106 WeakPolarHBondContact CG-O 3.15Å; P104-K106 PolarHBondContact O-N 2.83Å; K106-F108 PolarHBondContact O-N 2.76Å |
| 107 | P | 34.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 90.8 Ų | 90.8 | 90% | 0.896 | 45% | 0.451 | S | S | * | . | trans | -57.9 | 131.1 | 174.5 | 22.3 | -30 | 0 | 0 | 0 | 110 | ||||
| 108 | F | 36.4 | Very low | 35.6 | Very low | 88 Ų | 88 | 95.2 Ų | 95.2 | 39% | 0.386 | 47% | 0.47 | S | S | . | . | trans | -133.3 | 154.8 | 172.4 | 69.4 | -110.5 | 0 | 0 | 0 | 108.6 | L79 P104 K106 L110 | L79-F108 HydrophobicContact CB-CE1 3.95Å; L79-F108 HydrophobicContact CB-CZ 4.05Å; L79-F108 HydrophobicContact CD1-CE1 3.94Å; L79-F108 HydrophobicContact CD1-CZ 3.58Å; L79-F108 HydrophobicContact CD2-CE1 3.95Å; L79-F108 HydrophobicContact CD2-CE2 3.72Å; L79-F108 HydrophobicContact CD2-CZ 3.18Å; L79-F108 HydrophobicContact CG-CE1 4.14Å; L79-F108 HydrophobicContact CG-CZ 3.74Å; P104-F108 HydrophobicContact CB-CD1 3.35Å; P104-F108 HydrophobicContact CB-CE1 3.3Å; P104-F108 VanDerWaalsContact CD-CE1 3.45Å; P104-F108 HydrophobicContact CG-CD1 3.28Å; P104-F108 HydrophobicContact CG-CE1 3.07Å; P104-F108 HydrophobicContact CG-CG 4.43Å; P104-F108 HydrophobicContact CG-CZ 4.02Å; K106-F108 PolarHBondContact O-N 2.76Å; F108-L110 HydrophobicContact CD2-CB 3.84Å; F108-L110 HydrophobicContact CE2-CB 3.53Å; F108-L110 HydrophobicContact CE2-CD2 4.45Å; F108-L110 HydrophobicContact CE2-CG 4.49Å | ||
| 109 | S | 35.5 | Very low | 34.9 | Very low | 79 Ų | 79 | 103 Ų | 103 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | trans | -103.8 | 128.2 | 169.3 | -159.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 110 | L | 38.1 | Very low | 34.2 | Very low | 36 Ų | 36 | 105.1 Ų | 105.1 | 19% | 0.188 | 51% | 0.506 | C | S | . | . | trans | -125.8 | 120.9 | -180 | -178 | 80.7 | 0 | 0 | 0 | 108.3 | V66 L79 L81 F108 L112 F125 | V66-L110 HydrophobicContact CG1-CD1 3.88Å; V66-L110 HydrophobicContact CG2-CD2 4.49Å; L79-L110 HydrophobicContact CD2-CD2 3.66Å; L81-L110 HydrophobicContact CD1-CD2 3.62Å; F108-L110 HydrophobicContact CD2-CB 3.84Å; F108-L110 HydrophobicContact CE2-CB 3.53Å; F108-L110 HydrophobicContact CE2-CD2 4.45Å; F108-L110 HydrophobicContact CE2-CG 4.49Å; L110-L112 HydrophobicContact CD2-CD1 3.78Å; L110-L112 HydrophobicContact CD2-CG 4.03Å; L110-L112 HydrophobicContact CG-CD1 4.47Å; L110-L112 HydrophobicContact CG-CG 4.35Å; L110-F125 HydrophobicContact CD1-CD1 3.98Å | ||
| 111 | S | 38.1 | Very low | 33.7 | Very low | 50 Ų | 50 | 104.4 Ų | 104.4 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.2 | 170.2 | -60.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 112 | L | 39.2 | Very low | 33.3 | Very low | 40 Ų | 40 | 105 Ų | 105 | 21% | 0.209 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.8 | 178.6 | -80.4 | 144.1 | 0 | 0 | 0 | 108.9 | L64 L81 C98 L110 F114 I123 F125 | L64-L112 HydrophobicContact CD1-CD2 4.39Å; L64-L112 HydrophobicContact CD2-CD2 3.5Å; L64-L112 VanDerWaalsContact CD2-CD2 3.5Å; L81-L112 HydrophobicContact CD1-CD1 3.91Å; C98-L112 HydrophobicContact CB-CD1 4.39Å; L110-L112 HydrophobicContact CD2-CD1 3.78Å; L110-L112 HydrophobicContact CD2-CG 4.03Å; L110-L112 HydrophobicContact CG-CD1 4.47Å; L110-L112 HydrophobicContact CG-CG 4.35Å; L112-F114 HydrophobicContact CB-CE2 3.98Å; L112-F114 HydrophobicContact CD2-CE2 4.34Å; L112-F114 HydrophobicContact CD2-CZ 4.26Å; L112-I123 HydrophobicContact CD2-CG2 4.17Å; L112-F125 HydrophobicContact CD2-CE1 4.21Å |
| 113 | Y | 36.3 | Very low | 33.2 | Very low | 111 Ų | 111 | 100.9 Ų | 100.9 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.2 | 173 | -60.1 | -88.5 | 0 | 0 | 0 | 109.1 | F115 L124 C126 | Y113-F115 VanDerWaalsContact CB-CE2 3.46Å; Y113-F115 HydrophobicContact CG-CE2 4.44Å; Y113-L124 PolarHBondContact O-N 3.05Å; Y113-C126 HydrophobicContact CE2-CB 4.37Å |
| 114 | F | 36.3 | Very low | 32.8 | Very low | 17 Ų | 17 | 101.9 Ų | 101.9 | 8% | 0.075 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 115.3 | 174.8 | -69.6 | -86.1 | 0 | 0 | 0 | 109.2 | F18 F62 A96 L112 I123 | F18-F114 HydrophobicContact CE1-CB 3.76Å; F18-F114 HydrophobicContact CE1-CD2 4.46Å; F18-F114 HydrophobicContact CE2-CB 4.41Å; F18-F114 HydrophobicContact CE2-CD2 4.44Å; F18-F114 HydrophobicContact CZ-CB 3.67Å; F18-F114 AromaticContact CZ-CD2 3.71Å; F18-F114 HydrophobicContact CZ-CD2 3.71Å; F18-F114 HydrophobicContact CZ-CG 4.1Å; F62-F114 AromaticContact CE2-CE1 3.74Å; F62-F114 HydrophobicContact CE2-CE1 3.74Å; F62-F114 HydrophobicContact CE2-CZ 4.32Å; F62-F114 HydrophobicContact CZ-CD1 4.35Å; F62-F114 AromaticContact CZ-CE1 3.5Å; F62-F114 HydrophobicContact CZ-CE1 3.5Å; F62-F114 HydrophobicContact CZ-CZ 4.2Å; A96-F114 HydrophobicContact CB-CD2 4.04Å; A96-F114 HydrophobicContact CB-CE2 3.85Å; A96-F114 HydrophobicContact CB-CZ 4.21Å; L112-F114 HydrophobicContact CB-CE2 3.98Å; L112-F114 HydrophobicContact CD2-CE2 4.34Å; L112-F114 HydrophobicContact CD2-CZ 4.26Å; F114-I123 HydrophobicContact CD1-CG1 4.32Å; F114-I123 HydrophobicContact CE1-CG1 4.01Å |
| 115 | F | 30.8 | Very low | 32.6 | Very low | 89 Ų | 89 | 103.2 Ų | 103.2 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.2 | 173 | -60.8 | -84.3 | 0 | 0 | 0 | 108.8 | Y113 F117 S122 L124 | Y113-F115 VanDerWaalsContact CB-CE2 3.46Å; Y113-F115 HydrophobicContact CG-CE2 4.44Å; F115-F117 HydrophobicContact CB-CD2 3.98Å; F115-F117 HydrophobicContact CB-CE2 4.08Å; F115-F117 HydrophobicContact CD1-CE2 4.35Å; F115-S122 PolarHBondContact N-O 3.43Å; F115-S122 PolarHBondContact O-N 3.29Å; F115-L124 HydrophobicContact CE2-CB 4.09Å; F115-L124 HydrophobicContact CE2-CD2 4.3Å |
| 116 | Y | 31.2 | Very low | 32.2 | Very low | 77 Ų | 77 | 93.8 Ų | 93.8 | 30% | 0.302 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 108.3 | 168.4 | -103.8 | -86.3 | 0 | 0 | 0 | 108.6 | A121 | Y116-A121 HydrophobicContact CE1-CB 4.5Å; Y116-A121 HydrophobicContact CE2-CB 4.33Å |
| 117 | F | 25.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 90.7 Ų | 90.7 | 53% | 0.531 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.3 | 171.9 | -85.3 | -84.6 | 0 | 0 | 0 | 109.1 | I28 F115 K119 K120 | I28-F117 HydrophobicContact CD1-CE1 4.06Å; I28-F117 HydrophobicContact CD1-CZ 4.11Å; F115-F117 HydrophobicContact CB-CD2 3.98Å; F115-F117 HydrophobicContact CB-CE2 4.08Å; F115-F117 HydrophobicContact CD1-CE2 4.35Å; F117-K119 PolarHBondContact O-N 3.12Å; F117-K120 PolarHBondContact N-O 3.08Å; F117-K120 VanDerWaalsContact N-O 3.08Å; F117-K120 PolarHBondContact O-N 3.27Å |
| 118 | N | 25.4 | Very low | 31.7 | Very low | 164 Ų | 164 | 88.2 Ų | 88.2 | 88% | 0.877 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.2 | 65.4 | 169.1 | -93.9 | -19.1 | 0 | 0 | 0 | 114.7 | K120 | N118-K120 PolarHBondContact O-N 2.74Å; N118-K120 VanDerWaalsContact O-N 3.11Å |
| 119 | K | 27.3 | Very low | 31.3 | Very low | 214 Ų | 214 | 90 Ų | 90 | 93% | 0.93 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 7.3 | 179.6 | -57.4 | -174.5 | 177 | -178.3 | 0 | 116.5 | F117 | F117-K119 PolarHBondContact O-N 3.12Š|
| 120 | K | 25.5 | Very low | 31.1 | Very low | 162 Ų | 162 | 91.2 Ų | 91.2 | 70% | 0.704 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.3 | 173.5 | -67.5 | -174.9 | 178.6 | -179.4 | 0 | 110.7 | F117 N118 | F117-K120 PolarHBondContact N-O 3.08Å; F117-K120 VanDerWaalsContact N-O 3.08Å; F117-K120 PolarHBondContact O-N 3.27Å; N118-K120 PolarHBondContact O-N 2.74Å; N118-K120 VanDerWaalsContact O-N 3.11Å |
| 121 | A | 29.7 | Very low | 30.7 | Very low | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | Y116 | Y116-A121 HydrophobicContact CE1-CB 4.5Å; Y116-A121 HydrophobicContact CE2-CB 4.33Å |
| 122 | S | 27.9 | Very low | 30.3 | Very low | 72 Ų | 72 | 101.7 Ų | 101.7 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.5 | 175 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | F115 | F115-S122 PolarHBondContact N-O 3.43Å; F115-S122 PolarHBondContact O-N 3.29Å |
| 123 | I | 32.7 | Very low | 29.8 | Very low | 62 Ų | 62 | 109 Ų | 109 | 32% | 0.318 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.2 | 179.3 | -61 | 153.5 | 0 | 0 | 0 | 107.8 | F62 L64 L112 F114 F125 | F62-I123 HydrophobicContact CD2-CD1 4.27Å; F62-I123 HydrophobicContact CE2-CD1 3.93Å; L64-I123 HydrophobicContact CD1-CD1 3.55Å; L64-I123 HydrophobicContact CD1-CG1 4.32Å; L64-I123 HydrophobicContact CD1-CG2 4.48Å; L64-I123 HydrophobicContact CD2-CG2 4.21Å; L64-I123 HydrophobicContact CG-CD1 4.14Å; L112-I123 HydrophobicContact CD2-CG2 4.17Å; F114-I123 HydrophobicContact CD1-CG1 4.32Å; F114-I123 HydrophobicContact CE1-CG1 4.01Å; I123-F125 HydrophobicContact CB-CE2 4.49Å; I123-F125 HydrophobicContact CG2-CD1 4.45Å; I123-F125 HydrophobicContact CG2-CD2 4.34Å; I123-F125 HydrophobicContact CG2-CE1 3.87Å; I123-F125 HydrophobicContact CG2-CE2 3.75Å; I123-F125 HydrophobicContact CG2-CZ 3.5Å |
| 124 | L | 30 | Very low | 29.6 | Very low | 91 Ų | 91 | 108 Ų | 108 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.7 | 173.1 | -173.8 | 69.1 | 0 | 0 | 0 | 109.9 | Y113 F115 | Y113-L124 PolarHBondContact O-N 3.05Å; F115-L124 HydrophobicContact CE2-CB 4.09Å; F115-L124 HydrophobicContact CE2-CD2 4.3Å |
| 125 | F | 31.2 | Very low | 29.2 | Very low | 75 Ų | 75 | 116.1 Ų | 116.1 | 33% | 0.329 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.9 | 174.6 | -62.7 | -73.5 | 0 | 0 | 0 | 110.2 | L64 V66 L110 L112 I123 Y127 | L64-F125 HydrophobicContact CD2-CE1 3.22Å; L64-F125 HydrophobicContact CD2-CZ 3.26Å; L64-F125 HydrophobicContact CG-CE1 4.42Å; L64-F125 HydrophobicContact CG-CZ 4.04Å; V66-F125 HydrophobicContact CG2-CD1 4.05Å; V66-F125 HydrophobicContact CG2-CE1 3.32Å; V66-F125 HydrophobicContact CG2-CZ 3.82Å; L110-F125 HydrophobicContact CD1-CD1 3.98Å; L112-F125 HydrophobicContact CD2-CE1 4.21Å; I123-F125 HydrophobicContact CB-CE2 4.49Å; I123-F125 HydrophobicContact CG2-CD1 4.45Å; I123-F125 HydrophobicContact CG2-CD2 4.34Å; I123-F125 HydrophobicContact CG2-CE1 3.87Å; I123-F125 HydrophobicContact CG2-CE2 3.75Å; I123-F125 HydrophobicContact CG2-CZ 3.5Å; F125-Y127 HydrophobicContact CB-CD2 4.48Å; F125-Y127 HydrophobicContact CB-CE2 4.21Å |
| 126 | C | 29.4 | Very low | 29.2 | Very low | 58 Ų | 58 | 118.6 Ų | 118.6 | 39% | 0.392 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.6 | 167 | -69.1 | 0 | 0 | 0 | 0 | 109.2 | Y113 | Y113-C126 HydrophobicContact CE2-CB 4.37Å |
| 127 | Y | 28.3 | Very low | 29.1 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 40% | 0.404 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -97.8 | 131.3 | 169.1 | -73.8 | -89.9 | 0 | 0 | 0 | 109 | V66 L67 F125 D129 | V66-Y127 HydrophobicContact CG1-CE1 4.4Å; V66-Y127 WeakPolarHBondContact CG1-OH 3.4Å; L67-Y127 PolarHBondContact O-OH 2.86Å; F125-Y127 HydrophobicContact CB-CD2 4.48Å; F125-Y127 HydrophobicContact CB-CE2 4.21Å; Y127-D129 PolarHBondContact O-N 3.05Å |
| 128 | P | 29.9 | Very low | 29.2 | Very low | 85 Ų | 85 | 117.3 Ų | 117.3 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121 | 162.3 | 27.4 | -27.9 | 0 | 0 | 0 | 107.8 | A130 | P128-A130 PolarHBondContact O-N 3.49Š|
| 129 | D | 27.6 | Very low | 29.7 | Very low | 125 Ų | 125 | 117 Ų | 117 | 67% | 0.668 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.7 | 171.6 | -159.5 | -12.2 | 0 | 0 | 0 | 108.5 | Y127 K131 | Y127-D129 PolarHBondContact O-N 3.05Å; D129-K131 PolarHBondContact O-N 2.95Å |
| 130 | A | 31.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 87% | 0.868 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 26.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114 | P128 | P128-A130 PolarHBondContact O-N 3.49Š|
| 131 | K | 30.3 | Very low | 30.8 | Very low | 189 Ų | 189 | 120 Ų | 120 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | -9.8 | -174.9 | -72 | -168.9 | 177.6 | -176.4 | 0 | 115.7 | D129 | D129-K131 PolarHBondContact O-N 2.95Š|
| 132 | T | 29.9 | Very low | 31.2 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | trans | -99.4 | 95.4 | 175.5 | 36.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 133 | K | 28.1 | Very low | 31.6 | Very low | 194 Ų | 194 | 121.6 Ų | 121.6 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | trans | -55.9 | 133.2 | 160.4 | -80.6 | -178.7 | 176.8 | 178.9 | 0 | 107.7 | E135 | K133-E135 PolarHBondContact O-N 3.2Å; K133-E135 VanDerWaalsContact O-N 3.15Å | ||
| 134 | P | 33.2 | Very low | 31.7 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 59% | 0.591 | 69% | 0.694 | S | S | * | * | trans | -65.1 | 117.5 | 169.8 | 26 | -29.7 | 0 | 0 | 0 | 107.7 | H136 | P134-H136 PolarHBondContact O-N 3.45Å; P134-H136 VanDerWaalsContact O-N 3.11Å | ||
| 135 | E | 27 | Very low | 32.1 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -58.6 | 115.3 | 166.2 | -76.4 | -174.2 | 149.5 | 0 | 0 | 107.8 | K133 | K133-E135 PolarHBondContact O-N 3.2Å; K133-E135 VanDerWaalsContact O-N 3.15Å | ||
| 136 | H | 31.2 | Very low | 32.1 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | trans | -71.5 | 125.9 | 171 | -109.7 | -23.8 | 0 | 0 | 0 | 108.3 | P134 G138 | P134-H136 PolarHBondContact O-N 3.45Å; P134-H136 VanDerWaalsContact O-N 3.11Å; H136-G138 PolarHBondContact O-N 2.82Å | ||
| 137 | P | 28.8 | Very low | 32.3 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -73.8 | 119.9 | 171.1 | 30.3 | -28.8 | 0 | 0 | 0 | 107.9 | ||
| 138 | G | 29.1 | Very low | 32.5 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 75.2 | 86.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | H136 | H136-G138 PolarHBondContact O-N 2.82Š| ||
| 139 | N | 35.1 | Very low | 32.7 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -130.4 | 86.4 | 132.2 | -142 | 6.1 | 0 | 0 | 0 | 107.8 | R141 | N139-R141 VanDerWaalsContact C-N 3.33Å; N139-R141 PolarHBondContact O-N 3.19Å | ||
| 140 | K | 36.8 | Very low | 33 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | trans | -57.5 | 102.5 | 161.9 | -72.3 | -178.2 | 177.5 | 179.3 | 0 | 105.8 | A142 | K140-A142 VanDerWaalsContact C-N 3.27Å; K140-A142 PolarHBondContact O-N 3.11Å | ||
| 141 | R | 38.5 | Very low | 33.1 | Very low | 242 Ų | 242 | 142.3 Ų | 142.3 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -63.5 | 102 | 154.1 | -89.3 | -176.2 | 175.1 | -178.9 | -2.4 | 105.4 | N139 G143 | N139-R141 VanDerWaalsContact C-N 3.33Å; N139-R141 PolarHBondContact O-N 3.19Å; R141-G143 PolarHBondContact O-N 2.85Å | ||
| 142 | A | 38.4 | Very low | 33.3 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -52.4 | 121.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | K140 | K140-A142 VanDerWaalsContact C-N 3.27Å; K140-A142 PolarHBondContact O-N 3.11Å | ||
| 143 | G | 36.1 | Very low | 33.5 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | trans | -66.7 | 147.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R141 | R141-G143 PolarHBondContact O-N 2.85Š| ||
| 144 | S | 36.2 | Very low | 34 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | trans | 176.8 | 115.1 | 158.3 | -70.7 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 145 | G | 37.4 | Very low | 34 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 100% | 1.588 | 86% | 0.864 | S | S | * | * | cis | -171 | 0 | 0.7 | 0 | 0 | 0 | 0 | 0 | 106.4 |
Retrieved 145 of 145 residues in 125.4 ms
(Link to these results)