| 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 | 47.6 | Very low | 79.1 | Confident | 240 Ų | 240 | 131.1 Ų | 131.1 | 100% | 1.182 | 80% | 0.798 | S | S | * | * | 0 | 105.9 | 0 | -78.5 | 170.2 | 159.6 | 0 | 0 | 109.3 | |||||
| 2 | P | 66.9 | Low | 79.4 | Confident | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 134.1 | 135.5 | 29.7 | -23.9 | 0 | 0 | 0 | 108.1 | ||
| 3 | P | 75.2 | Confident | 79.6 | Confident | 112 Ų | 112 | 128.8 Ų | 128.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.1 | 171.6 | 26.6 | -31.5 | 0 | 0 | 0 | 109.5 | L5 | P3-L5 PolarHBondContact O-N 3.29Š|
| 4 | P | 79.7 | Confident | 79.8 | Confident | 124 Ų | 124 | 127.4 Ų | 127.4 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134 | 171 | 24.1 | -30.1 | 0 | 0 | 0 | 109.1 | ||
| 5 | L | 83.1 | Confident | 79.7 | Confident | 165 Ų | 165 | 125.9 Ų | 125.9 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 140.8 | 178.2 | -76.4 | 163.6 | 0 | 0 | 0 | 110.1 | P3 | P3-L5 PolarHBondContact O-N 3.29Š|
| 6 | P | 85.7 | Confident | 79.2 | Confident | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147.7 | 175.2 | 25.8 | -32.8 | 0 | 0 | 0 | 110.7 | ||
| 7 | P | 86.4 | Confident | 78.6 | Confident | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149.6 | 175.6 | 25.9 | -33.3 | 0 | 0 | 0 | 110.9 | ||
| 8 | P | 87 | Confident | 78 | Confident | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.9 | 178.1 | 25.6 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 9 | P | 85.9 | Confident | 77.8 | Confident | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 148.7 | 176.6 | 25.7 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 10 | P | 86.5 | Confident | 77.9 | Confident | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.5 | 176 | 25.8 | -33 | 0 | 0 | 0 | 111.2 | ||
| 11 | P | 85.8 | Confident | 78 | Confident | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 147.8 | 177.4 | 25.4 | -33.1 | 0 | 0 | 0 | 111 | ||
| 12 | P | 83.6 | Confident | 79.6 | Confident | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 146.3 | 177.1 | 25.1 | -32.9 | 0 | 0 | 0 | 110.9 | ||
| 13 | P | 82 | Confident | 80.3 | Confident | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 150.2 | 175.5 | 25.6 | -33 | 0 | 0 | 0 | 110.8 | ||
| 14 | P | 81.3 | Confident | 80.4 | Confident | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148.4 | 178.5 | 25.5 | -33.6 | 0 | 0 | 0 | 111 | I16 | P14-I16 PolarHBondContact O-N 3.4Š|
| 15 | P | 78.4 | Confident | 80.1 | Confident | 106 Ų | 106 | 128.1 Ų | 128.1 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 124 | -179.9 | 22 | -30.5 | 0 | 0 | 0 | 110.7 | F17 | P15-F17 HydrophobicContact CG-CE2 4.43Å; P15-F17 PolarHBondContact O-N 3.23Å; P15-F17 VanDerWaalsContact O-N 3.11Å |
| 16 | I | 72.9 | Confident | 79.5 | Confident | 151 Ų | 151 | 126.5 Ų | 126.5 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | -71.7 | 103.9 | 172.9 | -58.8 | 175.1 | 0 | 0 | 0 | 107.5 | P14 I18 | P14-I16 PolarHBondContact O-N 3.4Å; I16-I18 HydrophobicContact CG2-CG1 3.97Å; I16-I18 PolarHBondContact O-N 2.99Å | ||
| 17 | F | 69.2 | Low | 78.5 | Confident | 188 Ų | 188 | 128 Ų | 128 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -75.4 | 91.7 | 170.7 | -93.1 | -90.3 | 0 | 0 | 0 | 109.7 | P15 R19 | P15-F17 HydrophobicContact CG-CE2 4.43Å; P15-F17 PolarHBondContact O-N 3.23Å; P15-F17 VanDerWaalsContact O-N 3.11Å; F17-R19 PolarHBondContact O-N 3.26Å | ||
| 18 | I | 67.1 | Low | 77.6 | Confident | 146 Ų | 146 | 129.6 Ų | 129.6 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -73.1 | 105.7 | 165.7 | -55.3 | 179.6 | 0 | 0 | 0 | 106.6 | I16 | I16-I18 HydrophobicContact CG2-CG1 3.97Å; I16-I18 PolarHBondContact O-N 2.99Å | ||
| 19 | R | 74.7 | Confident | 76.5 | Confident | 230 Ų | 230 | 134 Ų | 134 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59 | 128.9 | 172.3 | -85.6 | -178.3 | 172.1 | -123.9 | -0 | 108.8 | F17 | F17-R19 PolarHBondContact O-N 3.26Š|
| 20 | P | 79.2 | Confident | 75.8 | Confident | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 141 | 172.1 | -20 | 30.7 | 0 | 0 | 0 | 109.9 | ||
| 21 | P | 80.4 | Confident | 75 | Confident | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 149.1 | 170.9 | 25.7 | -32.5 | 0 | 0 | 0 | 110.3 | ||
| 22 | P | 81.8 | Confident | 74.3 | Confident | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 146.5 | 177.4 | 25 | -33.1 | 0 | 0 | 0 | 110.9 | ||
| 23 | P | 80.1 | Confident | 73.8 | Confident | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 145.4 | 176.8 | 25.5 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 24 | P | 76.7 | Confident | 73.4 | Confident | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 151.1 | 175.4 | 26.1 | -33.2 | 0 | 0 | 0 | 110.8 | V26 | P24-V26 PolarHBondContact O-N 3.37Š|
| 25 | P | 74.7 | Confident | 73.4 | Confident | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 125.3 | 176.7 | 23.5 | -31.8 | 0 | 0 | 0 | 110.1 | I27 | P25-I27 PolarHBondContact O-N 3.42Š|
| 26 | V | 70.7 | Confident | 73.7 | Confident | 131 Ų | 131 | 139.2 Ų | 139.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -71.4 | 96.3 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | P24 I28 | P24-V26 PolarHBondContact O-N 3.37Å; V26-I28 HydrophobicContact CG1-CG1 4.09Å; V26-I28 PolarHBondContact O-N 3.42Å | ||
| 27 | I | 64.6 | Low | 74.4 | Confident | 140 Ų | 140 | 137.6 Ų | 137.6 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -78 | 98.5 | 169.7 | -59.3 | 175.6 | 0 | 0 | 0 | 107.1 | P25 R29 | P25-I27 PolarHBondContact O-N 3.42Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 HydrophobicContact CG2-CG 4.24Å; I27-R29 PolarHBondContact O-N 3.02Å | ||
| 28 | I | 66 | Low | 75.1 | Confident | 148 Ų | 148 | 134.1 Ų | 134.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -69.4 | 92.6 | 170 | -55.9 | 176.5 | 0 | 0 | 0 | 107 | V26 | V26-I28 HydrophobicContact CG1-CG1 4.09Å; V26-I28 PolarHBondContact O-N 3.42Å | ||
| 29 | R | 65.1 | Low | 76.1 | Confident | 206 Ų | 206 | 132.5 Ų | 132.5 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.9 | 168.2 | -76.4 | -175.3 | 156.2 | -152.7 | -5.6 | 108.2 | I27 V31 | I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 HydrophobicContact CG2-CG 4.24Å; I27-R29 PolarHBondContact O-N 3.02Å; R29-V31 PolarHBondContact O-N 3.1Å; R29-V31 VanDerWaalsContact O-N 3.11Å |
| 30 | P | 70.8 | Confident | 76.8 | Confident | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 121.1 | 170.5 | -21.4 | 31.6 | 0 | 0 | 0 | 108.7 | P32 | P30-P32 WeakPolarHBondContact O-CD 3.46Š|
| 31 | V | 69.4 | Low | 77.1 | Confident | 126 Ų | 126 | 127.2 Ų | 127.2 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 121.3 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | R29 L33 | R29-V31 PolarHBondContact O-N 3.1Å; R29-V31 VanDerWaalsContact O-N 3.11Å; V31-L33 PolarHBondContact O-N 3.05Å; V31-L33 VanDerWaalsContact O-N 3.14Å |
| 32 | P | 71.5 | Confident | 77.5 | Confident | 110 Ų | 110 | 127.2 Ų | 127.2 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 123.6 | 172.4 | -19.3 | 30.7 | 0 | 0 | 0 | 107.8 | P30 L34 | P30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-L34 PolarHBondContact O-N 3.04Å |
| 33 | L | 73 | Confident | 77.7 | Confident | 172 Ų | 172 | 127.1 Ų | 127.1 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | trans | -53.2 | 113.9 | 173.5 | -70.4 | 168.8 | 0 | 0 | 0 | 107.6 | V31 | V31-L33 PolarHBondContact O-N 3.05Å; V31-L33 VanDerWaalsContact O-N 3.14Å | ||
| 34 | L | 74.8 | Confident | 77.9 | Confident | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 131.9 | 176.4 | -87.3 | 150.9 | 0 | 0 | 0 | 108.3 | P32 | P32-L34 PolarHBondContact O-N 3.04Š|
| 35 | P | 81.3 | Confident | 78.2 | Confident | 107 Ų | 107 | 127 Ų | 127 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 146 | 173.3 | 24.1 | -31.8 | 0 | 0 | 0 | 109.4 | ||
| 36 | P | 84.6 | Confident | 78.6 | Confident | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 147 | 177.5 | 24 | -33.1 | 0 | 0 | 0 | 110.3 | ||
| 37 | P | 85.8 | Confident | 78.8 | Confident | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.3 | 177.2 | 24.5 | -33 | 0 | 0 | 0 | 110 | ||
| 38 | P | 85.8 | Confident | 79.3 | Confident | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147.7 | 176.1 | 25.1 | -32.9 | 0 | 0 | 0 | 110.2 | ||
| 39 | P | 87.8 | Confident | 79.8 | Confident | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58 | 148.3 | 175.7 | 24.7 | -33 | 0 | 0 | 0 | 110.5 | ||
| 40 | P | 87.8 | Confident | 80.5 | Confident | 114 Ų | 114 | 122.1 Ų | 122.1 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 144.8 | 176.7 | 24.5 | -32.7 | 0 | 0 | 0 | 110.3 | ||
| 41 | P | 86.8 | Confident | 81 | Confident | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 146.3 | 177.6 | 25 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 42 | P | 87.6 | Confident | 81.7 | Confident | 114 Ų | 114 | 121.3 Ų | 121.3 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 149.8 | 174.8 | 25 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 43 | P | 86.9 | Confident | 82.1 | Confident | 114 Ų | 114 | 121.5 Ų | 121.5 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 144.6 | 176.8 | 24.2 | -32.9 | 0 | 0 | 0 | 110.4 | ||
| 44 | P | 84.1 | Confident | 82.5 | Confident | 114 Ų | 114 | 118.5 Ų | 118.5 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 145 | 177.4 | 24.7 | -32.7 | 0 | 0 | 0 | 110 | ||
| 45 | P | 84.1 | Confident | 82.8 | Confident | 109 Ų | 109 | 116.6 Ų | 116.6 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 149.2 | 174.4 | 25.3 | -33.3 | 0 | 0 | 0 | 109.9 | I47 | P45-I47 PolarHBondContact O-N 3.2Š|
| 46 | P | 82.2 | Confident | 82.4 | Confident | 115 Ų | 115 | 118.8 Ų | 118.8 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 127.1 | 176.7 | 20.8 | -30.5 | 0 | 0 | 0 | 109.7 | I48 | P46-I48 PolarHBondContact O-N 3.25Š|
| 47 | I | 74.9 | Confident | 81.8 | Confident | 154 Ų | 154 | 120.3 Ų | 120.3 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -67.3 | 100.8 | 176.3 | -59.2 | 175.4 | 0 | 0 | 0 | 107 | P45 V49 | P45-I47 PolarHBondContact O-N 3.2Å; I47-V49 HydrophobicContact CG2-CG2 4.03Å; I47-V49 PolarHBondContact O-N 3.14Å | ||
| 48 | I | 74.8 | Confident | 80.8 | Confident | 151 Ų | 151 | 121.8 Ų | 121.8 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | trans | -74.4 | 95.9 | 169.6 | -58.1 | 175.1 | 0 | 0 | 0 | 106.2 | P46 P50 | P46-I48 PolarHBondContact O-N 3.25Å; I48-P50 VanDerWaalsContact O-CD 3.29Å; I48-P50 WeakPolarHBondContact O-CD 3.49Å | ||
| 49 | V | 76.2 | Confident | 80.4 | Confident | 115 Ų | 115 | 126.2 Ų | 126.2 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116.1 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 107 | I47 | I47-V49 HydrophobicContact CG2-CG2 4.03Å; I47-V49 PolarHBondContact O-N 3.14Å |
| 50 | P | 79.6 | Confident | 80 | Confident | 100 Ų | 100 | 126.5 Ų | 126.5 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 143 | 176 | 24 | -31 | 0 | 0 | 0 | 109.5 | I48 | I48-P50 VanDerWaalsContact O-CD 3.29Å; I48-P50 WeakPolarHBondContact O-CD 3.49Å |
| 51 | P | 82.9 | Confident | 79.6 | Confident | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58 | 146 | 177 | 24.5 | -33 | 0 | 0 | 0 | 110.2 | ||
| 52 | P | 82.6 | Confident | 79.5 | Confident | 113 Ų | 113 | 128.4 Ų | 128.4 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 144.4 | 178.1 | 24.5 | -33 | 0 | 0 | 0 | 110.5 | ||
| 53 | P | 80.3 | Confident | 79.5 | Confident | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148 | 177.3 | 25.4 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 54 | P | 82.2 | Confident | 79.5 | Confident | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 152.3 | 176.7 | 25.9 | -34 | 0 | 0 | 0 | 110.8 | I56 | P54-I56 PolarHBondContact O-N 3.04Š|
| 55 | P | 80.2 | Confident | 79.7 | Confident | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 126 | 178 | 22.3 | -31.8 | 0 | 0 | 0 | 110.3 | I57 | P55-I57 PolarHBondContact O-N 2.98Š|
| 56 | I | 73.9 | Confident | 79.9 | Confident | 152 Ų | 152 | 128.9 Ų | 128.9 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -68.8 | 105.2 | 176.1 | -59.8 | 174.4 | 0 | 0 | 0 | 107.6 | P54 I58 | P54-I56 PolarHBondContact O-N 3.04Å; I56-I58 HydrophobicContact CG2-CG1 3.93Å; I56-I58 PolarHBondContact O-N 3.32Å | ||
| 57 | I | 71.7 | Confident | 80.2 | Confident | 145 Ų | 145 | 128.9 Ų | 128.9 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -76 | 94 | 170.9 | -57.9 | 174.9 | 0 | 0 | 0 | 107.4 | P55 R59 | P55-I57 PolarHBondContact O-N 2.98Å; I57-R59 HydrophobicContact CG2-CG 4.48Å; I57-R59 PolarHBondContact O-N 3.29Å | ||
| 58 | I | 63.7 | Low | 80.8 | Confident | 147 Ų | 147 | 127 Ų | 127 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -71.6 | 99.9 | 171.7 | -55.7 | 176.6 | 0 | 0 | 0 | 107.3 | I56 | I56-I58 HydrophobicContact CG2-CG1 3.93Å; I56-I58 PolarHBondContact O-N 3.32Å | ||
| 59 | R | 79 | Confident | 81.4 | Confident | 208 Ų | 208 | 125.3 Ų | 125.3 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.3 | 169.1 | -69.3 | -176.2 | 175.9 | -133.2 | -0.6 | 108.5 | I57 L61 | I57-R59 HydrophobicContact CG2-CG 4.48Å; I57-R59 PolarHBondContact O-N 3.29Å; R59-L61 PolarHBondContact O-N 3.16Å |
| 60 | P | 78.4 | Confident | 81.9 | Confident | 120 Ų | 120 | 125.4 Ų | 125.4 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.4 | 171.3 | -23.7 | 32.8 | 0 | 0 | 0 | 109.8 | ||
| 61 | L | 80.2 | Confident | 82.1 | Confident | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 137.7 | 174.9 | -121.9 | 74.5 | 0 | 0 | 0 | 108.9 | R59 | R59-L61 PolarHBondContact O-N 3.16Š|
| 62 | P | 84.8 | Confident | 82.3 | Confident | 109 Ų | 109 | 125.7 Ų | 125.7 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 145.7 | 173.5 | 24.5 | -32.9 | 0 | 0 | 0 | 110.1 | ||
| 63 | P | 86.7 | Confident | 82.3 | Confident | 114 Ų | 114 | 125.9 Ų | 125.9 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 147.3 | 177.5 | 25.1 | -33 | 0 | 0 | 0 | 110.4 | ||
| 64 | P | 87.2 | Confident | 82.2 | Confident | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.8 | 177.4 | 26.1 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 65 | P | 88.4 | Confident | 81.9 | Confident | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 149.6 | 175.8 | 26.4 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 66 | P | 89.2 | Confident | 81.2 | Confident | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 148.8 | 176.5 | 26.1 | -33.5 | 0 | 0 | 0 | 110.8 | ||
| 67 | P | 87.3 | Confident | 81.6 | Confident | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 146.6 | 176.9 | 25.9 | -33.2 | 0 | 0 | 0 | 110.9 | ||
| 68 | P | 87.7 | Confident | 82 | Confident | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148.7 | 177 | 26 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 69 | P | 88.3 | Confident | 82.8 | Confident | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 149.4 | 176.8 | 26.1 | -33.4 | 0 | 0 | 0 | 111.1 | ||
| 70 | P | 85.7 | Confident | 83 | Confident | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.1 | 178 | 25.7 | -33.3 | 0 | 0 | 0 | 111 | ||
| 71 | P | 84.4 | Confident | 83.4 | Confident | 114 Ų | 114 | 128.6 Ų | 128.6 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63 | 150.4 | 176.6 | 26.4 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 72 | P | 86.3 | Confident | 83.6 | Confident | 108 Ų | 108 | 126.5 Ų | 126.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 152.1 | 176.7 | 26.7 | -34.2 | 0 | 0 | 0 | 111.1 | I74 | P72-I74 PolarHBondContact O-N 3.45Š|
| 73 | P | 83.3 | Confident | 83.6 | Confident | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.7 | 178.3 | 22 | -30.9 | 0 | 0 | 0 | 111 | I75 | P73-I75 PolarHBondContact O-N 2.85Š|
| 74 | I | 77.7 | Confident | 83.6 | Confident | 153 Ų | 153 | 126.9 Ų | 126.9 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -71.3 | 110.1 | 175.5 | -60.5 | 174.2 | 0 | 0 | 0 | 108.1 | P72 I76 | P72-I74 PolarHBondContact O-N 3.45Å; I74-I76 HydrophobicContact CG2-CG1 4.07Å; I74-I76 PolarHBondContact O-N 3.27Å | ||
| 75 | I | 76.6 | Confident | 83.4 | Confident | 147 Ų | 147 | 127 Ų | 127 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -78.5 | 98 | 171.5 | -57.8 | 176.5 | 0 | 0 | 0 | 107.9 | P73 R77 | P73-I75 PolarHBondContact O-N 2.85Å; I75-R77 PolarHBondContact O-N 3.18Å; I75-R77 VanDerWaalsContact O-N 3.16Å | ||
| 76 | I | 65.9 | Low | 83.2 | Confident | 149 Ų | 149 | 126.7 Ų | 126.7 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -74.9 | 102.9 | 172.2 | -55.8 | 177.4 | 0 | 0 | 0 | 107.7 | I74 | I74-I76 HydrophobicContact CG2-CG1 4.07Å; I74-I76 PolarHBondContact O-N 3.27Å | ||
| 77 | R | 81.7 | Confident | 82.9 | Confident | 208 Ų | 208 | 126.7 Ų | 126.7 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 133.1 | 169.3 | -70.3 | -176.2 | 176.7 | -128.6 | -0.1 | 109 | I75 L79 | I75-R77 PolarHBondContact O-N 3.18Å; I75-R77 VanDerWaalsContact O-N 3.16Å; R77-L79 PolarHBondContact O-N 3.19Å |
| 78 | P | 79.3 | Confident | 82.3 | Confident | 125 Ų | 125 | 128.5 Ų | 128.5 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128.3 | 172.4 | -22.5 | 32.2 | 0 | 0 | 0 | 110.1 | ||
| 79 | L | 80 | Confident | 81.6 | Confident | 161 Ų | 161 | 129.7 Ų | 129.7 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63 | 140.1 | 171.6 | -113.4 | 76.3 | 0 | 0 | 0 | 109.2 | R77 | R77-L79 PolarHBondContact O-N 3.19Š|
| 80 | P | 84 | Confident | 80.7 | Confident | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 147.2 | 173.2 | 25.7 | -32.8 | 0 | 0 | 0 | 110.7 | ||
| 81 | P | 85.8 | Confident | 80.4 | Confident | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.4 | 179 | 25.9 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 82 | P | 84.7 | Confident | 80.2 | Confident | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 149.7 | 177 | 27.3 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 83 | P | 85.7 | Confident | 79.9 | Confident | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 152 | 176.7 | 27.1 | -33.8 | 0 | 0 | 0 | 111.9 | ||
| 84 | P | 85.9 | Confident | 80 | Confident | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 148.2 | 178.9 | 27 | -33.7 | 0 | 0 | 0 | 112 | ||
| 85 | P | 83.2 | Confident | 80.4 | Confident | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 150.4 | 176.6 | 27.7 | -33.5 | 0 | 0 | 0 | 111.6 | ||
| 86 | P | 84.2 | Confident | 80.9 | Confident | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65 | 153.6 | 177 | 27.4 | -34.2 | 0 | 0 | 0 | 111.9 | I88 | P86-I88 PolarHBondContact O-N 2.75Š|
| 87 | P | 82.9 | Confident | 81.9 | Confident | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.4 | 178.7 | 23.9 | -31.8 | 0 | 0 | 0 | 111.5 | I89 | P87-I89 PolarHBondContact O-N 3.49Š|
| 88 | I | 74.1 | Confident | 82.2 | Confident | 154 Ų | 154 | 129.1 Ų | 129.1 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -77.6 | 106.2 | 175.6 | -59.6 | 173.4 | 0 | 0 | 0 | 108.3 | P86 I90 | P86-I88 PolarHBondContact O-N 2.75Å; I88-I90 HydrophobicContact CG2-CG1 4.07Å; I88-I90 PolarHBondContact O-N 2.86Å | ||
| 89 | I | 74.4 | Confident | 82.5 | Confident | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -84.7 | 101.4 | 172.6 | -57.9 | 174.1 | 0 | 0 | 0 | 108.2 | P87 R91 | P87-I89 PolarHBondContact O-N 3.49Å; I89-R91 HydrophobicContact CG2-CG 4.34Å; I89-R91 PolarHBondContact O-N 3.18Å | ||
| 90 | I | 68.4 | Low | 82.8 | Confident | 151 Ų | 151 | 126.6 Ų | 126.6 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | -77.8 | 103.7 | 172.9 | -54.9 | 176.5 | 0 | 0 | 0 | 107.9 | I88 | I88-I90 HydrophobicContact CG2-CG1 4.07Å; I88-I90 PolarHBondContact O-N 2.86Å | ||
| 91 | R | 80.1 | Confident | 82.9 | Confident | 212 Ų | 212 | 126.9 Ų | 126.9 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -77 | 135.2 | 171.2 | -68.2 | -175.2 | 175.2 | -138.2 | -0.8 | 109.4 | I89 L93 | I89-R91 HydrophobicContact CG2-CG 4.34Å; I89-R91 PolarHBondContact O-N 3.18Å; R91-L93 PolarHBondContact O-N 3.48Å |
| 92 | P | 80.1 | Confident | 82.8 | Confident | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 133.8 | 171.1 | -23.5 | 32.8 | 0 | 0 | 0 | 110.6 | ||
| 93 | L | 80.1 | Confident | 82.6 | Confident | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 134.4 | 176.7 | -155.1 | 73.5 | 0 | 0 | 0 | 108.8 | R91 | R91-L93 PolarHBondContact O-N 3.48Š|
| 94 | P | 85 | Confident | 82.3 | Confident | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 148 | 176.4 | 23.5 | -32.6 | 0 | 0 | 0 | 111.1 | ||
| 95 | P | 86.7 | Confident | 81.7 | Confident | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.1 | 177.2 | 26.1 | -33.3 | 0 | 0 | 0 | 111 | ||
| 96 | P | 86.9 | Confident | 80.7 | Confident | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 148.1 | 176.8 | 26.7 | -33.4 | 0 | 0 | 0 | 111 | ||
| 97 | P | 87.3 | Confident | 79.1 | Confident | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.2 | 175.1 | 26.7 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 98 | P | 87.5 | Confident | 77.5 | Confident | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 151.1 | 176.4 | 26.6 | -33.4 | 0 | 0 | 0 | 111.4 | ||
| 99 | P | 86.4 | Confident | 76.4 | Confident | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.5 | 176 | 26.5 | -33.2 | 0 | 0 | 0 | 111.1 | ||
| 100 | P | 86.1 | Confident | 75.6 | Confident | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63 | 148.5 | 175.3 | 26.1 | -32.7 | 0 | 0 | 0 | 111.1 | ||
| 101 | P | 85.1 | Confident | 75 | Confident | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 149.6 | 176.6 | 25.7 | -33 | 0 | 0 | 0 | 111 | ||
| 102 | P | 83.3 | Confident | 73.7 | Confident | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 145.2 | 176.8 | 25.6 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 103 | P | 82 | Confident | 72.6 | Confident | 114 Ų | 114 | 128.3 Ų | 128.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 149.8 | 175.5 | 26.1 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 104 | P | 78.1 | Confident | 71.1 | Confident | 107 Ų | 107 | 125.7 Ų | 125.7 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 151 | 176 | 25.5 | -33.4 | 0 | 0 | 0 | 111.1 | V106 | P104-V106 PolarHBondContact O-N 3.49Å; P104-V106 VanDerWaalsContact O-N 3.1Å |
| 105 | P | 73.7 | Confident | 69.1 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.3 | 176.2 | -18.9 | 29.6 | 0 | 0 | 0 | 110.4 | F107 | P105-F107 PolarHBondContact O-N 2.96Š|
| 106 | V | 61.7 | Low | 67 | Low | 120 Ų | 120 | 129.3 Ų | 129.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 109.2 | 171.7 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | P104 I108 | P104-V106 PolarHBondContact O-N 3.49Å; P104-V106 VanDerWaalsContact O-N 3.1Å; V106-I108 VanDerWaalsContact C-N 3.33Å; V106-I108 HydrophobicContact CB-CG1 4.31Å; V106-I108 HydrophobicContact CG1-CD1 4.46Å; V106-I108 HydrophobicContact CG1-CG1 3.65Å; V106-I108 PolarHBondContact O-N 3.23Å | ||
| 107 | F | 52.2 | Low | 64.7 | Low | 198 Ų | 198 | 131.9 Ų | 131.9 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -72.9 | 91 | 166.3 | -84.6 | -89.4 | 0 | 0 | 0 | 109 | P105 R109 | P105-F107 PolarHBondContact O-N 2.96Å; F107-R109 PolarHBondContact O-N 2.73Å | ||
| 108 | I | 48.7 | Very low | 62.7 | Low | 143 Ų | 143 | 137.3 Ų | 137.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 116.6 | 173.8 | -58.6 | 179.8 | 0 | 0 | 0 | 107.8 | V106 | V106-I108 VanDerWaalsContact C-N 3.33Å; V106-I108 HydrophobicContact CB-CG1 4.31Å; V106-I108 HydrophobicContact CG1-CD1 4.46Å; V106-I108 HydrophobicContact CG1-CG1 3.65Å; V106-I108 PolarHBondContact O-N 3.23Å |
| 109 | R | 51 | Low | 61 | Low | 230 Ų | 230 | 136.8 Ų | 136.8 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 139.3 | 168.5 | -78.3 | -177.8 | 167.4 | -142.9 | -1.5 | 109.7 | F107 A111 | F107-R109 PolarHBondContact O-N 2.73Å; R109-A111 PolarHBondContact O-N 3.11Å |
| 110 | P | 57.3 | Low | 59 | Low | 137 Ų | 137 | 138.8 Ų | 138.8 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.2 | -176.9 | -19.3 | 31.1 | 0 | 0 | 0 | 111.7 | ||
| 111 | A | 54.9 | Low | 57.4 | Low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 149.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | R109 | R109-A111 PolarHBondContact O-N 3.11Š|
| 112 | P | 54.2 | Low | 55.8 | Low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 157 | -169.5 | 21.8 | -31.7 | 0 | 0 | 0 | 115.6 | ||
| 113 | P | 56.3 | Low | 54.2 | Low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 169.9 | -161.6 | 29.7 | -35.4 | 0 | 0 | 0 | 117.4 | ||
| 114 | P | 49.3 | Very low | 52.4 | Low | 110 Ų | 110 | 138.5 Ų | 138.5 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -111.6 | 166.5 | -146.7 | 41.5 | -32.7 | 0 | 0 | 0 | 115.2 | ||||
| 115 | M | 41.4 | Very low | 50.6 | Low | 167 Ų | 167 | 139.2 Ų | 139.2 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | trans | -147.9 | 109 | 152.7 | -69.9 | -160.8 | 84.2 | 0 | 0 | 109.5 | ||||
| 116 | I | 44.2 | Very low | 49.1 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | 73.9 | 105.6 | 87.3 | -67.7 | 167 | 0 | 0 | 0 | 109.6 | |||||
| 117 | L | 38 | Very low | 48.5 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | -165.2 | 141 | 54.1 | -92 | 141 | 0 | 0 | 0 | 113.9 | |||||
| 118 | R | 45.9 | Very low | 48.7 | Very low | 231 Ų | 231 | 141.6 Ų | 141.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -70.2 | -173.4 | 155.2 | -102.4 | 173 | 151.3 | -154.5 | -3.4 | 110.6 | ||||
| 119 | P | 50.6 | Low | 49 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -139.3 | 176.5 | 0.5 | 23 | 5.7 | 0 | 0 | 0 | 113.7 | ||||
| 120 | L | 45.6 | Very low | 49.2 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | -176.4 | 143.7 | 91.3 | -134.4 | 77 | 0 | 0 | 0 | 112.2 | |||||
| 121 | P | 51.3 | Low | 49 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -106.8 | -152.8 | 173 | 38 | -23.6 | 0 | 0 | 0 | 111.5 | ||||
| 122 | P | 53 | Low | 49 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | -112 | -170.7 | -70.2 | 37.8 | -18.6 | 0 | 0 | 0 | 110.5 | |||||
| 123 | P | 48.3 | Very low | 48.4 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -151.6 | 152.8 | 77.2 | 35.1 | -11.6 | 0 | 0 | 0 | 115 | |||||
| 124 | V | 45.5 | Very low | 47.8 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 33 | 136.5 | 96.1 | -132.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 125 | V | 39.8 | Very low | 48.1 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | cis | -172.9 | 168.1 | 39.8 | -170.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 126 | V | 41.3 | Very low | 48.8 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | 150.3 | 120.5 | 125.3 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 127 | R | 49.3 | Very low | 49.4 | Very low | 226 Ų | 226 | 140.9 Ų | 140.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 152.3 | -177 | -76.5 | 176.4 | 169.1 | -139 | -1 | 113.4 | ||
| 128 | P | 56.4 | Low | 50.3 | Low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 148.8 | 169.5 | 0 | 13.2 | 0 | 0 | 0 | 113 | ||
| 129 | P | 56.7 | Low | 50.7 | Low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 164.8 | 179.8 | 31.2 | -34.8 | 0 | 0 | 0 | 114 | ||
| 130 | P | 54.3 | Low | 50.8 | Low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 164.1 | -173.9 | 29.6 | -36.1 | 0 | 0 | 0 | 114.4 | ||
| 131 | P | 53.1 | Low | 50.6 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.1 | -174.9 | 28.4 | -34.5 | 0 | 0 | 0 | 113.4 | ||
| 132 | I | 54.1 | Low | 50.2 | Low | 158 Ų | 158 | 135.2 Ų | 135.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 126.5 | -177.2 | -62.7 | 169.3 | 0 | 0 | 0 | 110.2 | ||
| 133 | V | 43.4 | Very low | 50.1 | Low | 135 Ų | 135 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120.1 | 170.9 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 134 | V | 42.5 | Very low | 50.6 | Low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 111.2 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 135 | R | 54.7 | Low | 50.8 | Low | 228 Ų | 228 | 140.8 Ų | 140.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138.5 | 166.3 | -101.8 | -178 | -179.7 | -130.4 | 1.5 | 110.1 | ||
| 136 | P | 57.7 | Low | 51.4 | Low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67 | 146.4 | 172.4 | -13.8 | 27.9 | 0 | 0 | 0 | 111.6 | ||
| 137 | P | 55.5 | Low | 51.9 | Low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 151 | 177.5 | 30.4 | -33 | 0 | 0 | 0 | 112.3 | ||
| 138 | P | 58.5 | Low | 52 | Low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 156.6 | 175.7 | 29.6 | -34 | 0 | 0 | 0 | 112.1 | ||
| 139 | P | 52.8 | Low | 51.4 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 135.4 | -179.3 | 26.7 | -33 | 0 | 0 | 0 | 111.8 | ||
| 140 | I | 53 | Low | 50.6 | Low | 154 Ų | 154 | 136.6 Ų | 136.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 119.8 | -180 | -63.4 | 168.6 | 0 | 0 | 0 | 108.8 | V142 | I140-V142 HydrophobicContact CG2-CG2 4.46Š|
| 141 | V | 42.4 | Very low | 50.1 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -81.9 | 115.3 | 169.1 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 142 | V | 41.4 | Very low | 49.6 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 114.6 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | I140 | I140-V142 HydrophobicContact CG2-CG2 4.46Š| ||
| 143 | R | 52.6 | Low | 49.4 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 134.4 | 170.3 | -120.8 | 179.5 | -172.5 | -125.5 | 2.7 | 109.6 | ||
| 144 | P | 56.8 | Low | 49.4 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147.5 | 175.8 | -16.1 | 29.2 | 0 | 0 | 0 | 112.3 | ||
| 145 | P | 50.4 | Low | 49.3 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 150.5 | 176.4 | 30.2 | -32.6 | 0 | 0 | 0 | 112.2 | ||
| 146 | P | 52.3 | Low | 49.1 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 156.9 | 179.4 | 30.2 | -34.1 | 0 | 0 | 0 | 112.7 | ||
| 147 | P | 51.9 | Low | 48.2 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 133.8 | -179.3 | 27.7 | -32.5 | 0 | 0 | 0 | 111.8 | ||
| 148 | V | 50.5 | Low | 47.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 122.3 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 149 | V | 44.1 | Very low | 46.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 117.8 | 173 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 150 | V | 40 | Very low | 45.9 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 118.5 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 151 | R | 44 | Very low | 44.9 | Very low | 221 Ų | 221 | 134 Ų | 134 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 141.1 | 168.8 | -86 | -174.7 | 165.8 | -144.8 | -1.8 | 110.5 | ||
| 152 | P | 42.7 | Very low | 44.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 137.8 | 176.1 | -7.4 | 24 | 0 | 0 | 0 | 111.1 | ||
| 153 | V | 50.8 | Low | 44.2 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 140.4 | 173.9 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 154 | P | 41.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 150.6 | -175.8 | -6.7 | 25.1 | 0 | 0 | 0 | 113.3 | ||
| 155 | A | 40.3 | Very low | 42.5 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 156 | V | 50.5 | Low | 41.7 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -119.4 | 143.3 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 157 | P | 39.8 | Very low | 41 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 158.8 | -166.1 | 0.5 | 18.7 | 0 | 0 | 0 | 114.4 | ||||
| 158 | A | 39.4 | Very low | 40.6 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 145.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 159 | I | 43.9 | Very low | 40.1 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -127.4 | 141.7 | 174.3 | -54.7 | 177.5 | 0 | 0 | 0 | 107.6 | ||||
| 160 | P | 36 | Very low | 40.2 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -78.7 | 160.7 | -163.2 | 30.9 | -35.1 | 0 | 0 | 0 | 115.3 | ||||
| 161 | A | 31.9 | Very low | 41.1 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | -73.7 | 116.8 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 162 | V | 37.9 | Very low | 42.2 | Very low | 135 Ų | 135 | 111.4 Ų | 111.4 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -131.2 | 114.5 | 154.2 | 175.8 | 0 | 0 | 0 | 0 | 107.6 | R164 | V162-R164 PolarHBondContact O-N 3.12Š| ||
| 163 | A | 31 | Very low | 43.4 | Very low | 91 Ų | 91 | 105.5 Ų | 105.5 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 27.3 | 90.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 164 | R | 39 | Very low | 43.9 | Very low | 217 Ų | 217 | 100.3 Ų | 100.3 | 82% | 0.819 | 66% | 0.658 | S | S | * | * | trans | -176.1 | 130.5 | 152.4 | -106.1 | 155.9 | 156.5 | -148.7 | -11.2 | 110.1 | V162 I166 | V162-R164 PolarHBondContact O-N 3.12Å; R164-I166 VanDerWaalsContact C-N 3.26Å; R164-I166 HydrophobicContact CB-CG1 4.22Å; R164-I166 PolarHBondContact O-N 2.75Å | ||
| 165 | P | 33.1 | Very low | 44.8 | Very low | 116 Ų | 116 | 96 Ų | 96 | 75% | 0.753 | 64% | 0.635 | S | S | * | * | trans | -68.4 | 97.2 | 160.5 | 28.7 | -27.4 | 0 | 0 | 0 | 106.2 | G167 | P165-G167 PolarHBondContact O-N 3.32Š| ||
| 166 | I | 34.5 | Very low | 45.9 | Very low | 163 Ų | 163 | 91.7 Ų | 91.7 | 84% | 0.836 | 60% | 0.6 | S | S | * | * | trans | -73 | 77.6 | 168.4 | -62.8 | 169.5 | 0 | 0 | 0 | 105.6 | R164 | R164-I166 VanDerWaalsContact C-N 3.26Å; R164-I166 HydrophobicContact CB-CG1 4.22Å; R164-I166 PolarHBondContact O-N 2.75Å | ||
| 167 | G | 38.7 | Very low | 46.7 | Very low | 36 Ų | 36 | 86 Ų | 86 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | trans | -76.7 | 155.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P165 A169 | P165-G167 PolarHBondContact O-N 3.32Å; G167-A169 PolarHBondContact O-N 3.43Å | ||
| 168 | P | 41.6 | Very low | 48.3 | Very low | 127 Ų | 127 | 80.9 Ų | 80.9 | 83% | 0.825 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -64.8 | 103.7 | -169.8 | 27.2 | -34.5 | 0 | 0 | 0 | 111.3 | G170 | P168-G170 VanDerWaalsContact O-CA 3.31Å; P168-G170 WeakPolarHBondContact O-CA 3.3Å; P168-G170 PolarHBondContact O-N 2.6Å |
| 169 | A | 41.6 | Very low | 49.6 | Very low | 125 Ų | 125 | 75.9 Ų | 75.9 | 100% | 1.033 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 42.8 | 17.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G167 | G167-A169 PolarHBondContact O-N 3.43Š|
| 170 | G | 46.5 | Very low | 50.8 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -151.7 | 130 | -159.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | P168 | P168-G170 VanDerWaalsContact O-CA 3.31Å; P168-G170 WeakPolarHBondContact O-CA 3.3Å; P168-G170 PolarHBondContact O-N 2.6Å |
| 171 | G | 57 | Low | 52.5 | Low | 32 Ų | 32 | 67.6 Ų | 67.6 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | trans | -63.9 | -164.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C173 G176 | G171-C173 PolarHBondContact O-N 3.39Å; G171-G176 PolarHBondContact N-O 3.4Å; G171-G176 VanDerWaalsContact N-O 3.08Å | ||
| 172 | P | 67.6 | Low | 54.6 | Low | 42 Ų | 42 | 67.1 Ų | 67.1 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -44.2 | -9.8 | 175.7 | -33.4 | 33.3 | 0 | 0 | 0 | 118.1 | S178 F199 V201 Y210 | P172-S178 VanDerWaalsContact CD-OG 3.23Å; P172-S178 WeakPolarHBondContact CD-OG 3.25Å; P172-S178 WeakPolarHBondContact CG-OG 3.29Å; P172-F199 VanDerWaalsContact O-CD1 3.32Å; P172-F199 WeakPolarHBondContact O-CD1 3.21Å; P172-V201 HydrophobicContact CB-CG1 3.36Å; P172-V201 HydrophobicContact CG-CG1 4.24Å; P172-V201 WeakPolarHBondContact O-CG1 3.24Å; P172-Y210 HydrophobicContact CB-CD2 3.47Å; P172-Y210 VanDerWaalsContact CB-CD2 3.47Å; P172-Y210 HydrophobicContact CB-CE2 4.02Å; P172-Y210 HydrophobicContact CB-CG 3.87Å; P172-Y210 HydrophobicContact CG-CD1 4.44Å; P172-Y210 HydrophobicContact CG-CD2 3.8Å; P172-Y210 HydrophobicContact CG-CE2 3.98Å; P172-Y210 HydrophobicContact CG-CG 4.02Å |
| 173 | C | 68.6 | Low | 56.4 | Low | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -105.8 | 145.2 | -173.5 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | G171 G175 G176 S178 C212 | G171-C173 PolarHBondContact O-N 3.39Å; C173-G175 PolarHBondContact O-N 3.07Å; C173-G176 WeakPolarHBondContact CB-O 3.38Å; C173-G176 PolarHBondContact O-N 3.33Å; C173-S178 WeakPolarHBondContact SG-CA 3.35Å; C173-S178 VanDerWaalsContact SG-CB 3.54Å; C173-C212 WeakPolarHBondContact CA-SG 3.32Å; C173-C212 HydrophobicContact CB-CB 3.62Å; C173-C212 WeakPolarHBondContact CB-SG 3.24Å; C173-C212 WeakPolarHBondContact SG-CA 2.96Å; C173-C212 WeakPolarHBondContact SG-CB 3.25Å; C173-C212 CovalentContact SG-SG 2Å; C173-C212 PolarHBondContact SG-SG 3.3Å |
| 174 | P | 61.4 | Low | 58.6 | Low | 24 Ų | 24 | 60.7 Ų | 60.7 | 16% | 0.156 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 9.8 | -170.8 | 27.8 | -36.4 | 0 | 0 | 0 | 116.2 | F199 S216 G219 A220 Y222 | P174-F199 HydrophobicContact CB-CZ 4.49Å; P174-F199 HydrophobicContact CG-CE1 4.4Å; P174-F199 HydrophobicContact CG-CE2 4.17Å; P174-F199 HydrophobicContact CG-CZ 4.1Å; P174-S216 CarbonylContact C-O 2.98Å; P174-S216 VanDerWaalsContact C-O 3.26Å; P174-G219 CarbonylContact O-C 3.49Å; P174-A220 HydrophobicContact CB-CB 3.93Å; P174-A220 WeakPolarHBondContact O-CA 2.95Å; P174-A220 WeakPolarHBondContact O-CB 3.31Å; P174-A220 PolarHBondContact O-N 3.08Å; P174-Y222 HydrophobicContact CB-CE1 3.61Å; P174-Y222 WeakPolarHBondContact CB-OH 3.21Å |
| 175 | G | 60.5 | Low | 60.1 | Low | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -157.7 | 24.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C173 S216 | C173-G175 PolarHBondContact O-N 3.07Å; G175-S216 WeakPolarHBondContact CA-O 2.93Å; G175-S216 PolarHBondContact N-O 3.01Å |
| 176 | G | 64.2 | Low | 61.7 | Low | 14 Ų | 14 | 58.7 Ų | 58.7 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | 145.6 | -165.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | G171 C173 S178 | G171-G176 PolarHBondContact N-O 3.4Å; G171-G176 VanDerWaalsContact N-O 3.08Å; C173-G176 WeakPolarHBondContact CB-O 3.38Å; C173-G176 PolarHBondContact O-N 3.33Å; G176-S178 PolarHBondContact O-N 2.93Å |
| 177 | A | 66.3 | Low | 63.4 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 14% | 0.14 | 37% | 0.369 | C | S | . | . | trans | -59 | 129.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R246 | A177-R246 HydrophobicContact CB-CB 3.64Å; A177-R246 HydrophobicContact CB-CG 4.31Å | ||
| 178 | S | 72.7 | Confident | 64.7 | Low | 12 Ų | 12 | 59.7 Ų | 59.7 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | trans | -66.1 | 154.7 | 163.3 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | P172 C173 G176 G180 | P172-S178 VanDerWaalsContact CD-OG 3.23Å; P172-S178 WeakPolarHBondContact CD-OG 3.25Å; P172-S178 WeakPolarHBondContact CG-OG 3.29Å; C173-S178 WeakPolarHBondContact SG-CA 3.35Å; C173-S178 VanDerWaalsContact SG-CB 3.54Å; G176-S178 PolarHBondContact O-N 2.93Å; S178-G180 PolarHBondContact O-N 3.18Å; S178-G180 VanDerWaalsContact O-N 3.08Å; S178-G180 PolarHBondContact OG-N 3.33Å | ||
| 179 | L | 67.2 | Low | 65.4 | Low | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | trans | -66.9 | -1.1 | 167.5 | -70 | 170.8 | 0 | 0 | 0 | 113.3 | I181 P193 C211 W239 W242 V243 | L179-I181 HydrophobicContact CB-CB 4.47Å; L179-I181 HydrophobicContact CB-CD1 3.97Å; L179-I181 HydrophobicContact CB-CG1 4.2Å; L179-I181 WeakPolarHBondContact O-CG1 3.23Å; L179-I181 PolarHBondContact O-N 2.68Å; L179-P193 HydrophobicContact CD1-CG 3.99Å; L179-C211 HydrophobicContact CB-CB 4.02Å; L179-C211 VanDerWaalsContact CB-O 3.24Å; L179-C211 WeakPolarHBondContact CB-O 3.08Å; L179-C211 HydrophobicContact CD1-CB 3.75Å; L179-C211 HydrophobicContact CG-CB 4.41Å; L179-C211 PolarHBondContact N-O 3.36Å; L179-W239 HydrophobicContact CD1-CH2 3.79Å; L179-W239 HydrophobicContact CD1-CZ2 4.43Å; L179-W239 HydrophobicContact CD1-CZ3 4.15Å; L179-W239 HydrophobicContact CD2-CE3 3.86Å; L179-W239 HydrophobicContact CD2-CH2 3.96Å; L179-W239 HydrophobicContact CD2-CZ3 3.42Å; L179-W239 VanDerWaalsContact CD2-CZ3 3.42Å; L179-W239 HydrophobicContact CG-CH2 4.15Å; L179-W239 HydrophobicContact CG-CZ3 4.03Å; L179-W242 VanDerWaalsContact C-CH2 3.5Å; L179-W242 HydrophobicContact CD2-CH2 4.48Å; L179-W242 WeakPolarHBondContact O-CH2 3.38Å; L179-V243 HydrophobicContact CD2-CB 4.25Å; L179-V243 HydrophobicContact CD2-CG1 3.79Å; L179-V243 HydrophobicContact CD2-CG2 3.46Å; L179-V243 VanDerWaalsContact CD2-CG2 3.46Å | ||
| 180 | G | 70.5 | Confident | 66.3 | Low | 50 Ų | 50 | 59.3 Ų | 59.3 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | trans | 60.7 | 8.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S178 | S178-G180 PolarHBondContact O-N 3.18Å; S178-G180 VanDerWaalsContact O-N 3.08Å; S178-G180 PolarHBondContact OG-N 3.33Å | ||
| 181 | I | 71.6 | Confident | 67.3 | Low | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.297 | 34% | 0.344 | S | S | . | . | trans | -92.8 | 117 | 177.3 | -61.7 | 163.3 | 0 | 0 | 0 | 106.1 | L179 Q191 Y210 C211 | L179-I181 HydrophobicContact CB-CB 4.47Å; L179-I181 HydrophobicContact CB-CD1 3.97Å; L179-I181 HydrophobicContact CB-CG1 4.2Å; L179-I181 WeakPolarHBondContact O-CG1 3.23Å; L179-I181 PolarHBondContact O-N 2.68Å; I181-Q191 HydrophobicContact CG2-CB 4.39Å; I181-Q191 WeakPolarHBondContact CG2-O 3.12Å; I181-Y210 WeakPolarHBondContact O-CA 3.44Å; I181-C211 HydrophobicContact CB-CB 4.27Å; I181-C211 PolarHBondContact O-N 2.98Å | ||
| 182 | P | 75.3 | Confident | 67.9 | Low | 94 Ų | 94 | 61.2 Ų | 61.2 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | B | Isolated β-bridge | trans | -65.4 | 136.6 | 170 | 28.4 | -32.2 | 0 | 0 | 0 | 109 | Y209 | P182-Y209 VanDerWaalsContact CA-O 3.3Å; P182-Y209 WeakPolarHBondContact CA-O 3.25Å |
| 183 | C | 75.2 | Confident | 68.2 | Low | 15 Ų | 15 | 61.1 Ų | 61.1 | 10% | 0.101 | 33% | 0.328 | C | S | . | . | trans | -126.5 | 163 | 178.3 | 58.7 | 0 | 0 | 0 | 0 | 111 | C192 C198 Y209 | C183-C192 WeakPolarHBondContact CB-SG 3.43Å; C183-C198 VanDerWaalsContact C-SG 3.59Å; C183-C198 HydrophobicContact CB-CB 3.9Å; C183-C198 WeakPolarHBondContact CB-SG 3.03Å; C183-C198 WeakPolarHBondContact SG-CA 3.3Å; C183-C198 WeakPolarHBondContact SG-CB 3.21Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.96Å; C183-Y209 PolarHBondContact N-O 3.38Å; C183-Y209 WeakPolarHBondContact O-CB 3.26Å; C183-Y209 VanDerWaalsContact SG-CB 3.52Å | ||
| 184 | D | 77.3 | Confident | 68.2 | Low | 77 Ų | 77 | 65.3 Ų | 65.3 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -106.6 | 125.3 | 171.6 | -173.1 | -26.7 | 0 | 0 | 0 | 108.2 | R186 R187 P188 | D184-R186 PolarHBondContact O-N 2.84Å; D184-R186 WeakPolarHBondContact OD1-CB 3.32Å; D184-R186 PolarHBondContact OD1-N 3.2Å; D184-R187 CarbonylContact O-C 3.4Å; D184-R187 PolarHBondContact O-N 2.96Å; D184-R187 VanDerWaalsContact O-N 3.12Å; D184-P188 WeakPolarHBondContact O-CA 3.09Å |
| 185 | P | 71.2 | Confident | 68.6 | Low | 60 Ų | 60 | 67.7 Ų | 67.7 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.5 | 175.7 | -23 | 31.9 | 0 | 0 | 0 | 113.8 | Y209 | P185-Y209 HydrophobicContact CB-CE1 4.24Å; P185-Y209 VanDerWaalsContact CD-CD2 3.42Å; P185-Y209 HydrophobicContact CG-CD1 3.39Å; P185-Y209 HydrophobicContact CG-CD2 3.48Å; P185-Y209 VanDerWaalsContact CG-CD2 3.48Å; P185-Y209 HydrophobicContact CG-CE1 3.16Å; P185-Y209 HydrophobicContact CG-CE2 3.29Å; P185-Y209 HydrophobicContact CG-CG 3.55Å |
| 186 | R | 67.3 | Low | 69.4 | Low | 231 Ų | 231 | 67.3 Ų | 67.3 | 87% | 0.872 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -23.1 | -179.3 | -62.6 | -176.1 | 172.8 | -164.8 | -1.9 | 112.2 | D184 | D184-R186 PolarHBondContact O-N 2.84Å; D184-R186 WeakPolarHBondContact OD1-CB 3.32Å; D184-R186 PolarHBondContact OD1-N 3.2Å |
| 187 | R | 69 | Low | 69.9 | Low | 177 Ų | 177 | 69.3 Ų | 69.3 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -139.6 | 72.6 | 174.1 | -88.6 | -177.5 | 171.4 | -95.5 | 1.5 | 109.9 | D184 W189 Q191 | D184-R187 CarbonylContact O-C 3.4Å; D184-R187 PolarHBondContact O-N 2.96Å; D184-R187 VanDerWaalsContact O-N 3.12Å; R187-W189 PolarHBondContact O-N 3.06Å; R187-W189 VanDerWaalsContact O-N 3.11Å; R187-Q191 PolarHBondContact O-OE1 2.03Å |
| 188 | P | 65.3 | Low | 70.5 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | trans | -65 | -18.8 | 178.9 | 24.3 | -31.9 | 0 | 0 | 0 | 112 | D184 C192 C198 | D184-P188 WeakPolarHBondContact O-CA 3.09Å; P188-C192 VanDerWaalsContact O-CB 3.25Å; P188-C192 WeakPolarHBondContact O-CB 3.3Å; P188-C192 PolarHBondContact O-N 3.3Å; P188-C198 HydrophobicContact CB-CB 4.08Å | ||
| 189 | W | 57.8 | Low | 70.6 | Confident | 138 Ų | 138 | 72.1 Ų | 72.1 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 132.4 | 178.5 | -72.4 | 104.8 | 0 | 0 | 0 | 110.4 | R187 C192 P194 | R187-W189 PolarHBondContact O-N 3.06Å; R187-W189 VanDerWaalsContact O-N 3.11Å; W189-C192 WeakPolarHBondContact CZ3-O 3.45Å; W189-P194 HydrophobicContact CH2-CB 3.52Å; W189-P194 HydrophobicContact CH2-CG 3.94Å; W189-P194 VanDerWaalsContact CH2-N 3.28Å; W189-P194 VanDerWaalsContact CZ2-CA 3.49Å; W189-P194 HydrophobicContact CZ2-CB 4.19Å; W189-P194 HydrophobicContact CZ3-CB 4.49Å; W189-P194 HydrophobicContact CZ3-CG 4.47Å |
| 190 | P | 60.8 | Low | 70.8 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.8 | 5.7 | 15.4 | 37.2 | -35.6 | 0 | 0 | 0 | 115.6 | C192 | P190-C192 VanDerWaalsContact C-N 3.32Å; P190-C192 PolarHBondContact O-N 2.82Å |
| 191 | Q | 67.6 | Low | 70.7 | Confident | 93 Ų | 93 | 72.3 Ų | 72.3 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -32.3 | -172.9 | -72.7 | 91.4 | 13.9 | 0 | 0 | 113.3 | I181 R187 | I181-Q191 HydrophobicContact CG2-CB 4.39Å; I181-Q191 WeakPolarHBondContact CG2-O 3.12Å; R187-Q191 PolarHBondContact O-OE1 2.03Å |
| 192 | C | 68.9 | Low | 70.3 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -98 | 132.7 | 178.9 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | C183 P188 W189 P190 S196 C211 | C183-C192 WeakPolarHBondContact CB-SG 3.43Å; P188-C192 VanDerWaalsContact O-CB 3.25Å; P188-C192 WeakPolarHBondContact O-CB 3.3Å; P188-C192 PolarHBondContact O-N 3.3Å; W189-C192 WeakPolarHBondContact CZ3-O 3.45Å; P190-C192 VanDerWaalsContact C-N 3.32Å; P190-C192 PolarHBondContact O-N 2.82Å; C192-S196 VanDerWaalsContact CB-OG 3.32Å; C192-S196 WeakPolarHBondContact CB-OG 3.31Å; C192-C211 WeakPolarHBondContact CA-SG 3.42Å; C192-C211 HydrophobicContact CB-CB 3.87Å; C192-C211 WeakPolarHBondContact CB-SG 2.98Å; C192-C211 WeakPolarHBondContact SG-CB 3.3Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 3.45Å |
| 193 | P | 74.1 | Confident | 69.7 | Low | 39 Ų | 39 | 74 Ų | 74 | 25% | 0.253 | 37% | 0.373 | S | S | . | . | trans | -57.2 | 157.4 | 171.5 | -25.9 | 32.4 | 0 | 0 | 0 | 114.2 | L179 Q195 S196 | L179-P193 HydrophobicContact CD1-CG 3.99Å; P193-Q195 PolarHBondContact O-N 3.47Å; P193-S196 VanDerWaalsContact CD-OG 3.26Å; P193-S196 WeakPolarHBondContact CD-OG 3.08Å; P193-S196 PolarHBondContact O-N 2.78Å; P193-S196 PolarHBondContact O-OG 2.96Å | ||
| 194 | P | 67.9 | Low | 69.1 | Low | 95 Ų | 95 | 79 Ų | 79 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -0.3 | -178.7 | 2.3 | -13.8 | 0 | 0 | 0 | 120.6 | W189 | W189-P194 HydrophobicContact CH2-CB 3.52Å; W189-P194 HydrophobicContact CH2-CG 3.94Å; W189-P194 VanDerWaalsContact CH2-N 3.28Å; W189-P194 VanDerWaalsContact CZ2-CA 3.49Å; W189-P194 HydrophobicContact CZ2-CB 4.19Å; W189-P194 HydrophobicContact CZ3-CB 4.49Å; W189-P194 HydrophobicContact CZ3-CG 4.47Å |
| 195 | Q | 70 | Confident | 68.1 | Low | 74 Ų | 74 | 81.8 Ų | 81.8 | 35% | 0.346 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 33.4 | 178 | -61 | -168.7 | -5.9 | 0 | 0 | 111.1 | P193 V214 F234 P236 W239 | P193-Q195 PolarHBondContact O-N 3.47Å; Q195-V214 HydrophobicContact CB-CG1 4.34Å; Q195-V214 PolarHBondContact O-N 2.78Å; Q195-F234 PolarHBondContact OE1-O 2.82Å; Q195-P236 HydrophobicContact CG-CG 4.21Å; Q195-W239 HydrophobicContact CB-CZ2 4.38Å |
| 196 | S | 77.2 | Confident | 67.5 | Low | 16 Ų | 16 | 84.6 Ų | 84.6 | 11% | 0.112 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154 | 174.3 | 58.3 | 0 | 0 | 0 | 0 | 111 | C192 P193 C212 | C192-S196 VanDerWaalsContact CB-OG 3.32Å; C192-S196 WeakPolarHBondContact CB-OG 3.31Å; P193-S196 VanDerWaalsContact CD-OG 3.26Å; P193-S196 WeakPolarHBondContact CD-OG 3.08Å; P193-S196 PolarHBondContact O-N 2.78Å; P193-S196 PolarHBondContact O-OG 2.96Å; S196-C212 CarbonylContact C-O 3.57Å; S196-C212 WeakPolarHBondContact CA-O 3.15Å; S196-C212 WeakPolarHBondContact CB-O 3.03Å |
| 197 | Y | 75 | Confident | 67.4 | Low | 56 Ų | 56 | 74.6 Ų | 74.6 | 22% | 0.22 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150 | 176 | 61.8 | -84 | 0 | 0 | 0 | 109.3 | F199 C212 P213 T217 | Y197-F199 HydrophobicContact CD2-CB 4Å; Y197-F199 HydrophobicContact CE2-CB 3.65Å; Y197-F199 AromaticContact CE2-CD2 3.76Å; Y197-F199 HydrophobicContact CE2-CD2 3.76Å; Y197-F199 AromaticContact CE2-CG 3.99Å; Y197-F199 HydrophobicContact CE2-CG 3.99Å; Y197-F199 PolarHBondContact O-N 3.48Å; Y197-C212 HydrophobicContact CD1-CB 4.23Å; Y197-C212 VanDerWaalsContact CD1-O 3.27Å; Y197-C212 WeakPolarHBondContact CD1-O 3.26Å; Y197-C212 HydrophobicContact CD2-CB 4.24Å; Y197-C212 HydrophobicContact CE1-CB 3.77Å; Y197-C212 HydrophobicContact CE2-CB 3.8Å; Y197-C212 HydrophobicContact CG-CB 4.44Å; Y197-C212 PolarHBondContact N-O 2.84Å; Y197-C212 PolarHBondContact O-N 3.34Å; Y197-P213 WeakPolarHBondContact CE1-O 3.4Å; Y197-T217 HydrophobicContact CD1-CG2 4.45Å; Y197-T217 HydrophobicContact CE1-CG2 3.54Å; Y197-T217 HydrophobicContact CE2-CG2 4.21Å; Y197-T217 VanDerWaalsContact CZ-CG2 3.4Å; Y197-T217 WeakPolarHBondContact OH-CG2 3.34Å |
| 198 | C | 78.1 | Confident | 67.5 | Low | 29 Ų | 29 | 69.2 Ų | 69.2 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118.1 | 176.6 | -166.7 | 0 | 0 | 0 | 0 | 109.2 | C183 P188 Y209 | C183-C198 VanDerWaalsContact C-SG 3.59Å; C183-C198 HydrophobicContact CB-CB 3.9Å; C183-C198 WeakPolarHBondContact CB-SG 3.03Å; C183-C198 WeakPolarHBondContact SG-CA 3.3Å; C183-C198 WeakPolarHBondContact SG-CB 3.21Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.96Å; P188-C198 HydrophobicContact CB-CB 4.08Å; C198-Y209 WeakPolarHBondContact SG-CB 3.46Å |
| 199 | F | 74.7 | Confident | 67.9 | Low | 58 Ų | 58 | 69 Ų | 69 | 25% | 0.254 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.4 | -177.1 | -173.4 | -102.1 | 0 | 0 | 0 | 111.5 | P172 P174 Y197 Y209 Y210 C212 | P172-F199 VanDerWaalsContact O-CD1 3.32Å; P172-F199 WeakPolarHBondContact O-CD1 3.21Å; P174-F199 HydrophobicContact CB-CZ 4.49Å; P174-F199 HydrophobicContact CG-CE1 4.4Å; P174-F199 HydrophobicContact CG-CE2 4.17Å; P174-F199 HydrophobicContact CG-CZ 4.1Å; Y197-F199 HydrophobicContact CD2-CB 4Å; Y197-F199 HydrophobicContact CE2-CB 3.65Å; Y197-F199 AromaticContact CE2-CD2 3.76Å; Y197-F199 HydrophobicContact CE2-CD2 3.76Å; Y197-F199 AromaticContact CE2-CG 3.99Å; Y197-F199 HydrophobicContact CE2-CG 3.99Å; Y197-F199 PolarHBondContact O-N 3.48Å; F199-Y209 CarbonylContact O-C 3.26Å; F199-Y209 VanDerWaalsContact O-CA 3.25Å; F199-Y209 WeakPolarHBondContact O-CA 3.3Å; F199-Y210 PolarHBondContact N-O 2.77Å; F199-Y210 PolarHBondContact O-N 2.93Å; F199-C212 HydrophobicContact CB-CB 4.18Å; F199-C212 WeakPolarHBondContact CB-SG 3Å |
| 200 | A | 73.1 | Confident | 68.9 | Low | 16 Ų | 16 | 65.5 Ų | 65.5 | 13% | 0.132 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T203 Y209 | A200-T203 WeakPolarHBondContact CB-O 3.27Å; A200-Y209 HydrophobicContact CB-CD1 3.43Å; A200-Y209 VanDerWaalsContact CB-CD1 3.43Å; A200-Y209 HydrophobicContact CB-CE1 3.28Å; A200-Y209 HydrophobicContact CB-CG 4.43Å |
| 201 | V | 67.6 | Low | 69.8 | Low | 42 Ų | 42 | 60.4 Ų | 60.4 | 26% | 0.255 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -75.8 | -29.7 | 179.1 | -71.6 | 0 | 0 | 0 | 0 | 114.6 | P172 P208 Y210 | P172-V201 HydrophobicContact CB-CG1 3.36Å; P172-V201 HydrophobicContact CG-CG1 4.24Å; P172-V201 WeakPolarHBondContact O-CG1 3.24Å; V201-P208 HydrophobicContact CG2-CG 3.57Å; V201-Y210 HydrophobicContact CG1-CD2 3.78Å; V201-Y210 HydrophobicContact CG1-CE2 3.8Å; V201-Y210 HydrophobicContact CG2-CE2 4.19Å |
| 202 | N | 62.5 | Low | 70.3 | Confident | 112 Ų | 112 | 56 Ų | 56 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -126.6 | -32.1 | -162.7 | -68.7 | -16 | 0 | 0 | 0 | 114.6 | ||
| 203 | T | 63 | Low | 70.5 | Confident | 77 Ų | 77 | 56 Ų | 56 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | trans | -157.3 | 154.1 | 169.6 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | A200 D205 V206 | A200-T203 WeakPolarHBondContact CB-O 3.27Å; T203-D205 PolarHBondContact O-N 3.18Å; T203-V206 VanDerWaalsContact OG1-C 3.28Å; T203-V206 PolarHBondContact OG1-N 2.81Å; T203-V206 VanDerWaalsContact OG1-N 3.07Å; T203-V206 PolarHBondContact OG1-O 3.02Å | ||
| 204 | V | 62.7 | Low | 70.4 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -58.9 | -29.4 | -177.5 | -178.6 | 0 | 0 | 0 | 0 | 112 | Y209 | V204-Y209 PolarHBondContact O-OH 3.42Š|
| 205 | D | 57.2 | Low | 70.3 | Confident | 134 Ų | 134 | 52.9 Ų | 52.9 | 72% | 0.717 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -113.9 | -20.3 | -167.8 | -59.1 | -61.2 | 0 | 0 | 0 | 115.2 | T203 Y209 | T203-D205 PolarHBondContact O-N 3.18Å; D205-Y209 WeakPolarHBondContact CA-OH 3.43Å; D205-Y209 PolarHBondContact O-OH 3.42Å |
| 206 | V | 57.9 | Low | 70.1 | Confident | 120 Ų | 120 | 49.3 Ų | 49.3 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -145.2 | 91.2 | -178.4 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | T203 | T203-V206 VanDerWaalsContact OG1-C 3.28Å; T203-V206 PolarHBondContact OG1-N 2.81Å; T203-V206 VanDerWaalsContact OG1-N 3.07Å; T203-V206 PolarHBondContact OG1-O 3.02Å |
| 207 | G | 64.4 | Low | 69.3 | Low | 20 Ų | 20 | 50.2 Ų | 50.2 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -165.5 | 161.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y209 | G207-Y209 WeakPolarHBondContact O-CD2 3.19Å; G207-Y209 WeakPolarHBondContact O-CE2 3.39Å; G207-Y209 PolarHBondContact O-N 3.36Å; G207-Y209 VanDerWaalsContact O-N 3.08Å |
| 208 | P | 71.3 | Confident | 68.4 | Low | 65 Ų | 65 | 52.2 Ų | 52.2 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | trans | -64.9 | 116.9 | 171.2 | 25.6 | -28.1 | 0 | 0 | 0 | 107.7 | V201 Y210 | V201-P208 HydrophobicContact CG2-CG 3.57Å; P208-Y210 HydrophobicContact CB-CE2 3.71Å; P208-Y210 HydrophobicContact CG-CE2 3.93Å; P208-Y210 VanDerWaalsContact O-CD2 3.32Å; P208-Y210 WeakPolarHBondContact O-CD2 2.97Å; P208-Y210 VanDerWaalsContact O-CE2 3.26Å; P208-Y210 WeakPolarHBondContact O-CE2 3.42Å | ||
| 209 | Y | 73.9 | Confident | 67.1 | Low | 38 Ų | 38 | 53 Ų | 53 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 139.2 | 177.8 | -55.2 | -95.5 | 0 | 0 | 0 | 109.7 | P182 C183 P185 C198 F199 A200 V204 D205 G207 | P182-Y209 VanDerWaalsContact CA-O 3.3Å; P182-Y209 WeakPolarHBondContact CA-O 3.25Å; C183-Y209 PolarHBondContact N-O 3.38Å; C183-Y209 WeakPolarHBondContact O-CB 3.26Å; C183-Y209 VanDerWaalsContact SG-CB 3.52Å; P185-Y209 HydrophobicContact CB-CE1 4.24Å; P185-Y209 VanDerWaalsContact CD-CD2 3.42Å; P185-Y209 HydrophobicContact CG-CD1 3.39Å; P185-Y209 HydrophobicContact CG-CD2 3.48Å; P185-Y209 VanDerWaalsContact CG-CD2 3.48Å; P185-Y209 HydrophobicContact CG-CE1 3.16Å; P185-Y209 HydrophobicContact CG-CE2 3.29Å; P185-Y209 HydrophobicContact CG-CG 3.55Å; C198-Y209 WeakPolarHBondContact SG-CB 3.46Å; F199-Y209 CarbonylContact O-C 3.26Å; F199-Y209 VanDerWaalsContact O-CA 3.25Å; F199-Y209 WeakPolarHBondContact O-CA 3.3Å; A200-Y209 HydrophobicContact CB-CD1 3.43Å; A200-Y209 VanDerWaalsContact CB-CD1 3.43Å; A200-Y209 HydrophobicContact CB-CE1 3.28Å; A200-Y209 HydrophobicContact CB-CG 4.43Å; V204-Y209 PolarHBondContact O-OH 3.42Å; D205-Y209 WeakPolarHBondContact CA-OH 3.43Å; D205-Y209 PolarHBondContact O-OH 3.42Å; G207-Y209 WeakPolarHBondContact O-CD2 3.19Å; G207-Y209 WeakPolarHBondContact O-CE2 3.39Å; G207-Y209 PolarHBondContact O-N 3.36Å; G207-Y209 VanDerWaalsContact O-N 3.08Å |
| 210 | Y | 78.8 | Confident | 66.1 | Low | 64 Ų | 64 | 51 Ų | 51 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.9 | 179.8 | -59.3 | -85.5 | 0 | 0 | 0 | 110.7 | P172 I181 F199 V201 P208 C212 | P172-Y210 HydrophobicContact CB-CD2 3.47Å; P172-Y210 VanDerWaalsContact CB-CD2 3.47Å; P172-Y210 HydrophobicContact CB-CE2 4.02Å; P172-Y210 HydrophobicContact CB-CG 3.87Å; P172-Y210 HydrophobicContact CG-CD1 4.44Å; P172-Y210 HydrophobicContact CG-CD2 3.8Å; P172-Y210 HydrophobicContact CG-CE2 3.98Å; P172-Y210 HydrophobicContact CG-CG 4.02Å; I181-Y210 WeakPolarHBondContact O-CA 3.44Å; F199-Y210 PolarHBondContact N-O 2.77Å; F199-Y210 PolarHBondContact O-N 2.93Å; V201-Y210 HydrophobicContact CG1-CD2 3.78Å; V201-Y210 HydrophobicContact CG1-CE2 3.8Å; V201-Y210 HydrophobicContact CG2-CE2 4.19Å; P208-Y210 HydrophobicContact CB-CE2 3.71Å; P208-Y210 HydrophobicContact CG-CE2 3.93Å; P208-Y210 VanDerWaalsContact O-CD2 3.32Å; P208-Y210 WeakPolarHBondContact O-CD2 2.97Å; P208-Y210 VanDerWaalsContact O-CE2 3.26Å; P208-Y210 WeakPolarHBondContact O-CE2 3.42Å; Y210-C212 PolarHBondContact O-N 3.21Å; Y210-C212 VanDerWaalsContact O-N 3.13Å |
| 211 | C | 79.7 | Confident | 65 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 114.2 | 170 | -56.6 | 0 | 0 | 0 | 0 | 109 | L179 I181 C192 | L179-C211 HydrophobicContact CB-CB 4.02Å; L179-C211 VanDerWaalsContact CB-O 3.24Å; L179-C211 WeakPolarHBondContact CB-O 3.08Å; L179-C211 HydrophobicContact CD1-CB 3.75Å; L179-C211 HydrophobicContact CG-CB 4.41Å; L179-C211 PolarHBondContact N-O 3.36Å; I181-C211 HydrophobicContact CB-CB 4.27Å; I181-C211 PolarHBondContact O-N 2.98Å; C192-C211 WeakPolarHBondContact CA-SG 3.42Å; C192-C211 HydrophobicContact CB-CB 3.87Å; C192-C211 WeakPolarHBondContact CB-SG 2.98Å; C192-C211 WeakPolarHBondContact SG-CB 3.3Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 3.45Å |
| 212 | C | 79.2 | Confident | 64.3 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130 | 177.6 | -69.3 | 0 | 0 | 0 | 0 | 109.8 | C173 S196 Y197 F199 Y210 | C173-C212 WeakPolarHBondContact CA-SG 3.32Å; C173-C212 HydrophobicContact CB-CB 3.62Å; C173-C212 WeakPolarHBondContact CB-SG 3.24Å; C173-C212 WeakPolarHBondContact SG-CA 2.96Å; C173-C212 WeakPolarHBondContact SG-CB 3.25Å; C173-C212 CovalentContact SG-SG 2Å; C173-C212 PolarHBondContact SG-SG 3.3Å; S196-C212 CarbonylContact C-O 3.57Å; S196-C212 WeakPolarHBondContact CA-O 3.15Å; S196-C212 WeakPolarHBondContact CB-O 3.03Å; Y197-C212 HydrophobicContact CD1-CB 4.23Å; Y197-C212 VanDerWaalsContact CD1-O 3.27Å; Y197-C212 WeakPolarHBondContact CD1-O 3.26Å; Y197-C212 HydrophobicContact CD2-CB 4.24Å; Y197-C212 HydrophobicContact CE1-CB 3.77Å; Y197-C212 HydrophobicContact CE2-CB 3.8Å; Y197-C212 HydrophobicContact CG-CB 4.44Å; Y197-C212 PolarHBondContact N-O 2.84Å; Y197-C212 PolarHBondContact O-N 3.34Å; F199-C212 HydrophobicContact CB-CB 4.18Å; F199-C212 WeakPolarHBondContact CB-SG 3Å; Y210-C212 PolarHBondContact O-N 3.21Å; Y210-C212 VanDerWaalsContact O-N 3.13Å |
| 213 | P | 73.2 | Confident | 63.6 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 145.1 | 171.7 | -5.9 | 6.7 | 0 | 0 | 0 | 111.7 | Y197 W215 S216 W239 | Y197-P213 WeakPolarHBondContact CE1-O 3.4Å; P213-W215 HydrophobicContact CB-CD2 3.32Å; P213-W215 HydrophobicContact CB-CE3 3.67Å; P213-W215 HydrophobicContact CB-CG 3.95Å; P213-W215 HydrophobicContact CB-CH2 3.68Å; P213-W215 HydrophobicContact CB-CZ2 3.3Å; P213-W215 HydrophobicContact CB-CZ3 3.83Å; P213-W215 HydrophobicContact CG-CD2 4.24Å; P213-W215 HydrophobicContact CG-CH2 4.38Å; P213-W215 HydrophobicContact CG-CZ2 3.63Å; P213-W215 PolarHBondContact O-N 3.3Å; P213-S216 VanDerWaalsContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CG-OG 3.32Å; P213-S216 VanDerWaalsContact O-CB 3.24Å; P213-S216 WeakPolarHBondContact O-CB 3.5Å; P213-S216 PolarHBondContact O-N 3.29Å; P213-S216 PolarHBondContact O-OG 2.04Å; P213-W239 HydrophobicContact CB-CH2 3.57Å; P213-W239 HydrophobicContact CB-CZ3 3.91Å; P213-W239 HydrophobicContact CG-CH2 3.99Å; P213-W239 HydrophobicContact CG-CZ3 3.92Å |
| 214 | V | 71.6 | Confident | 62.8 | Low | 44 Ų | 44 | 63.8 Ų | 63.8 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -53.5 | -28.7 | 174.5 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | Q195 S216 T217 P233 | Q195-V214 HydrophobicContact CB-CG1 4.34Å; Q195-V214 PolarHBondContact O-N 2.78Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.98Å; V214-T217 PolarHBondContact O-N 2.91Å; V214-T217 PolarHBondContact O-OG1 3.14Å; V214-P233 HydrophobicContact CG1-CB 4.49Å; V214-P233 HydrophobicContact CG1-CG 3.79Å |
| 215 | W | 65.7 | Low | 61.6 | Low | 24 Ų | 24 | 69.3 Ų | 69.3 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -76.2 | -16.1 | 176.2 | 62.1 | 81.2 | 0 | 0 | 0 | 115.4 | P213 T217 Y218 M235 W239 T247 | P213-W215 HydrophobicContact CB-CD2 3.32Å; P213-W215 HydrophobicContact CB-CE3 3.67Å; P213-W215 HydrophobicContact CB-CG 3.95Å; P213-W215 HydrophobicContact CB-CH2 3.68Å; P213-W215 HydrophobicContact CB-CZ2 3.3Å; P213-W215 HydrophobicContact CB-CZ3 3.83Å; P213-W215 HydrophobicContact CG-CD2 4.24Å; P213-W215 HydrophobicContact CG-CH2 4.38Å; P213-W215 HydrophobicContact CG-CZ2 3.63Å; P213-W215 PolarHBondContact O-N 3.3Å; W215-T217 PolarHBondContact O-N 2.72Å; W215-Y218 VanDerWaalsContact CA-CD2 3.47Å; W215-Y218 HydrophobicContact CB-CD2 4Å; W215-Y218 PolarHBondContact O-N 2.64Å; W215-M235 HydrophobicContact CH2-CB 4.42Å; W215-M235 HydrophobicContact CH2-CG 3.73Å; W215-M235 HydrophobicContact CH2-SD 4.01Å; W215-M235 HydrophobicContact CZ2-CG 4.31Å; W215-M235 HydrophobicContact CZ2-SD 3.97Å; W215-M235 HydrophobicContact CZ3-CG 4.26Å; W215-W239 AromaticContact CH2-CD2 3.82Å; W215-W239 HydrophobicContact CH2-CD2 3.82Å; W215-W239 AromaticContact CH2-CE2 3.93Å; W215-W239 AromaticContact CH2-CE3 3.4Å; W215-W239 HydrophobicContact CH2-CE3 3.4Å; W215-W239 VanDerWaalsContact CH2-CE3 3.4Å; W215-W239 AromaticContact CH2-CH2 3.33Å; W215-W239 HydrophobicContact CH2-CH2 3.33Å; W215-W239 AromaticContact CH2-CZ2 3.73Å; W215-W239 HydrophobicContact CH2-CZ2 3.73Å; W215-W239 AromaticContact CH2-CZ3 3.12Å; W215-W239 HydrophobicContact CH2-CZ3 3.12Å; W215-W239 AromaticContact CZ2-CE3 3.84Å; W215-W239 HydrophobicContact CZ2-CE3 3.84Å; W215-W239 AromaticContact CZ2-CH2 3.89Å; W215-W239 HydrophobicContact CZ2-CH2 3.89Å; W215-W239 AromaticContact CZ2-CZ3 3.38Å; W215-W239 HydrophobicContact CZ2-CZ3 3.38Å; W215-W239 AromaticContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CZ2 4.01Å; W215-W239 HydrophobicContact CZ3-CZ3 4.13Å; W215-T247 HydrophobicContact CZ2-CG2 3.52Å |
| 216 | S | 64.8 | Low | 60.9 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -65.5 | -15.9 | 172.1 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | P174 G175 P213 V214 | P174-S216 CarbonylContact C-O 2.98Å; P174-S216 VanDerWaalsContact C-O 3.26Å; G175-S216 WeakPolarHBondContact CA-O 2.93Å; G175-S216 PolarHBondContact N-O 3.01Å; P213-S216 VanDerWaalsContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CG-OG 3.32Å; P213-S216 VanDerWaalsContact O-CB 3.24Å; P213-S216 WeakPolarHBondContact O-CB 3.5Å; P213-S216 PolarHBondContact O-N 3.29Å; P213-S216 PolarHBondContact O-OG 2.04Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.98Å |
| 217 | T | 61.5 | Low | 60.1 | Low | 35 Ų | 35 | 68.8 Ų | 68.8 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -77.9 | -21 | 168 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | Y197 V214 W215 G219 | Y197-T217 HydrophobicContact CD1-CG2 4.45Å; Y197-T217 HydrophobicContact CE1-CG2 3.54Å; Y197-T217 HydrophobicContact CE2-CG2 4.21Å; Y197-T217 VanDerWaalsContact CZ-CG2 3.4Å; Y197-T217 WeakPolarHBondContact OH-CG2 3.34Å; V214-T217 PolarHBondContact O-N 2.91Å; V214-T217 PolarHBondContact O-OG1 3.14Å; W215-T217 PolarHBondContact O-N 2.72Å; T217-G219 VanDerWaalsContact C-N 3.31Å |
| 218 | Y | 55.3 | Low | 59.2 | Low | 98 Ų | 98 | 78.6 Ų | 78.6 | 38% | 0.384 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.8 | -177.1 | -60.5 | -60.6 | 0 | 0 | 0 | 113.3 | W215 P233 | W215-Y218 VanDerWaalsContact CA-CD2 3.47Å; W215-Y218 HydrophobicContact CB-CD2 4Å; W215-Y218 PolarHBondContact O-N 2.64Å; Y218-P233 HydrophobicContact CE2-CG 3.83Å |
| 219 | G | 51.1 | Low | 57.8 | Low | 46 Ų | 46 | 83.4 Ų | 83.4 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 4.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | P174 T217 P221 | P174-G219 CarbonylContact O-C 3.49Å; T217-G219 VanDerWaalsContact C-N 3.31Å; G219-P221 VanDerWaalsContact O-CD 3.25Å; G219-P221 WeakPolarHBondContact O-CD 3.35Å |
| 220 | A | 53.2 | Low | 56.8 | Low | 15 Ų | 15 | 87 Ų | 87 | 12% | 0.124 | 42% | 0.417 | C | S | . | . | trans | -78.6 | 113.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P174 Y222 | P174-A220 HydrophobicContact CB-CB 3.93Å; P174-A220 WeakPolarHBondContact O-CA 2.95Å; P174-A220 WeakPolarHBondContact O-CB 3.31Å; P174-A220 PolarHBondContact O-N 3.08Å; A220-Y222 HydrophobicContact CB-CD1 4.1Å; A220-Y222 HydrophobicContact CB-CE1 3.72Å; A220-Y222 PolarHBondContact O-N 2.94Å; A220-Y222 VanDerWaalsContact O-N 3.11Å | ||
| 221 | P | 50.6 | Low | 55.3 | Low | 132 Ų | 132 | 89.5 Ų | 89.5 | 86% | 0.857 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -8.2 | -177.5 | 26.2 | -32.4 | 0 | 0 | 0 | 114 | G219 | G219-P221 VanDerWaalsContact O-CD 3.25Å; G219-P221 WeakPolarHBondContact O-CD 3.35Å |
| 222 | Y | 52.8 | Low | 54.1 | Low | 133 Ų | 133 | 94.4 Ų | 94.4 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 11.3 | -172.1 | 65.2 | -94.4 | 0 | 0 | 0 | 114.9 | P174 A220 P224 | P174-Y222 HydrophobicContact CB-CE1 3.61Å; P174-Y222 WeakPolarHBondContact CB-OH 3.21Å; A220-Y222 HydrophobicContact CB-CD1 4.1Å; A220-Y222 HydrophobicContact CB-CE1 3.72Å; A220-Y222 PolarHBondContact O-N 2.94Å; A220-Y222 VanDerWaalsContact O-N 3.11Å; Y222-P224 WeakPolarHBondContact O-CD 3.37Å |
| 223 | R | 47.9 | Very low | 52.9 | Low | 138 Ų | 138 | 95.9 Ų | 95.9 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | trans | -97.5 | 97.2 | 173.8 | -80 | -163.2 | 176.3 | -119.5 | 3.3 | 111.5 | W225 | R223-W225 PolarHBondContact O-N 3.13Š| ||
| 224 | P | 46.6 | Very low | 52.2 | Low | 113 Ų | 113 | 98.3 Ų | 98.3 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -0.8 | -179.1 | 22.7 | -30.6 | 0 | 0 | 0 | 115.8 | Y222 | Y222-P224 WeakPolarHBondContact O-CD 3.37Š|
| 225 | W | 37.2 | Very low | 51.6 | Low | 235 Ų | 235 | 98.9 Ų | 98.9 | 89% | 0.89 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 15.1 | -165.9 | -68.8 | 107.5 | 0 | 0 | 0 | 116.8 | R223 | R223-W225 PolarHBondContact O-N 3.13Š|
| 226 | R | 41.4 | Very low | 51.4 | Low | 159 Ų | 159 | 98.9 Ų | 98.9 | 60% | 0.6 | 47% | 0.472 | S | S | * | . | trans | -107.7 | 127.4 | 169.9 | -76.2 | -155.7 | 174 | -169.4 | -0.2 | 111.1 | Y228 | R226-Y228 PolarHBondContact O-N 2.91Š| ||
| 227 | P | 42 | Very low | 51.4 | Low | 84 Ų | 84 | 106.3 Ų | 106.3 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | trans | -53 | 135.2 | 165.5 | -16.1 | 27.5 | 0 | 0 | 0 | 107.4 | Y229 | P227-Y229 HydrophobicContact CB-CD2 4.12Å; P227-Y229 HydrophobicContact CB-CE2 4Å; P227-Y229 HydrophobicContact CG-CD2 4.4Å; P227-Y229 HydrophobicContact CG-CE2 3.86Å; P227-Y229 PolarHBondContact O-N 2.89Å | ||
| 228 | Y | 46.6 | Very low | 51.7 | Low | 227 Ų | 227 | 110.6 Ų | 110.6 | 89% | 0.89 | 52% | 0.523 | S | S | * | . | trans | -56.2 | 81.9 | 162.4 | -86.2 | -99.3 | 0 | 0 | 0 | 107.9 | R226 P230 | R226-Y228 PolarHBondContact O-N 2.91Å; Y228-P230 VanDerWaalsContact O-CD 3.23Å; Y228-P230 WeakPolarHBondContact O-CD 3.18Å | ||
| 229 | Y | 41.6 | Very low | 52.1 | Low | 166 Ų | 166 | 106.3 Ų | 106.3 | 65% | 0.651 | 51% | 0.506 | S | S | * | . | trans | -68.6 | 118 | 166.2 | -81.4 | -79.9 | 0 | 0 | 0 | 105.4 | P227 F231 | P227-Y229 HydrophobicContact CB-CD2 4.12Å; P227-Y229 HydrophobicContact CB-CE2 4Å; P227-Y229 HydrophobicContact CG-CD2 4.4Å; P227-Y229 HydrophobicContact CG-CE2 3.86Å; P227-Y229 PolarHBondContact O-N 2.89Å; Y229-F231 PolarHBondContact O-N 2.78Å | ||
| 230 | P | 52.2 | Low | 52.9 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 73% | 0.727 | 50% | 0.5 | S | S | * | . | trans | -72.4 | 15.6 | 174.4 | 33.2 | -34.5 | 0 | 0 | 0 | 111.5 | Y228 Y232 | Y228-P230 VanDerWaalsContact O-CD 3.23Å; Y228-P230 WeakPolarHBondContact O-CD 3.18Å; P230-Y232 PolarHBondContact O-N 3.07Å | ||
| 231 | F | 47.7 | Very low | 53.5 | Low | 117 Ų | 117 | 110.8 Ų | 110.8 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | trans | -88 | 92.1 | 175.7 | -172.2 | -98.9 | 0 | 0 | 0 | 108.6 | Y229 P233 | Y229-F231 PolarHBondContact O-N 2.78Å; F231-P233 HydrophobicContact CE1-CB 4.49Å; F231-P233 WeakPolarHBondContact O-CD 3.18Å | ||
| 232 | Y | 54.2 | Low | 54.3 | Low | 104 Ų | 104 | 109.5 Ų | 109.5 | 41% | 0.408 | 50% | 0.503 | S | S | . | . | trans | -79.4 | 115.6 | 165.4 | -66.8 | -87 | 0 | 0 | 0 | 107.5 | P230 F234 W249 | P230-Y232 PolarHBondContact O-N 3.07Å; Y232-F234 PolarHBondContact O-N 2Å; Y232-W249 HydrophobicContact CD1-CZ2 4.19Å; Y232-W249 AromaticContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE2-CZ2 4.44Å; Y232-W249 AromaticContact CZ-CZ2 3.67Å | ||
| 233 | P | 54.8 | Low | 54.8 | Low | 30 Ų | 30 | 103.2 Ų | 103.2 | 20% | 0.195 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 137.8 | 170.7 | 23.7 | -30.7 | 0 | 0 | 0 | 109.1 | V214 Y218 F231 M235 | V214-P233 HydrophobicContact CG1-CB 4.49Å; V214-P233 HydrophobicContact CG1-CG 3.79Å; Y218-P233 HydrophobicContact CE2-CG 3.83Å; F231-P233 HydrophobicContact CE1-CB 4.49Å; F231-P233 WeakPolarHBondContact O-CD 3.18Å; P233-M235 PolarHBondContact O-N 2.94Å |
| 234 | F | 57.9 | Low | 55.6 | Low | 53 Ų | 53 | 100.9 Ų | 100.9 | 23% | 0.232 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 132.4 | 178.8 | -63.7 | -80.7 | 0 | 0 | 0 | 109.9 | Q195 Y232 P236 Q263 L267 | Q195-F234 PolarHBondContact OE1-O 2.82Å; Y232-F234 PolarHBondContact O-N 2Å; F234-P236 VanDerWaalsContact O-CD 3.3Å; F234-P236 WeakPolarHBondContact O-CD 3.25Å; F234-Q263 HydrophobicContact CE1-CB 3.52Å; F234-Q263 HydrophobicContact CZ-CB 3.35Å; F234-Q263 HydrophobicContact CZ-CG 4.18Å; F234-L267 HydrophobicContact CD2-CD1 4.07Å; F234-L267 HydrophobicContact CD2-CD2 3.68Å; F234-L267 HydrophobicContact CD2-CG 4.4Å; F234-L267 HydrophobicContact CE2-CD1 3.22Å; F234-L267 HydrophobicContact CE2-CD2 3.54Å; F234-L267 HydrophobicContact CE2-CG 3.96Å; F234-L267 HydrophobicContact CZ-CD1 3.71Å |
| 235 | M | 59.4 | Low | 56.4 | Low | 55 Ų | 55 | 99 Ų | 99 | 27% | 0.271 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -64 | 121.5 | 169.1 | -173 | 160.6 | 59.8 | 0 | 0 | 108.4 | W215 P233 R244 T247 | W215-M235 HydrophobicContact CH2-CB 4.42Å; W215-M235 HydrophobicContact CH2-CG 3.73Å; W215-M235 HydrophobicContact CH2-SD 4.01Å; W215-M235 HydrophobicContact CZ2-CG 4.31Å; W215-M235 HydrophobicContact CZ2-SD 3.97Å; W215-M235 HydrophobicContact CZ3-CG 4.26Å; P233-M235 PolarHBondContact O-N 2.94Å; M235-R244 HydrophobicContact CE-CB 3.7Å; M235-R244 HydrophobicContact CE-CG 3.74Å; M235-R244 HydrophobicContact SD-CB 4.32Å; M235-R244 HydrophobicContact SD-CG 4.09Å; M235-T247 HydrophobicContact SD-CG2 3.69Å |
| 236 | P | 61.2 | Low | 57.4 | Low | 25 Ų | 25 | 95 Ų | 95 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 138.7 | -177.2 | -23.1 | 34.4 | 0 | 0 | 0 | 111.8 | Q195 F234 N238 W239 | Q195-P236 HydrophobicContact CG-CG 4.21Å; F234-P236 VanDerWaalsContact O-CD 3.3Å; F234-P236 WeakPolarHBondContact O-CD 3.25Å; P236-N238 WeakPolarHBondContact CB-OD1 3.14Å; P236-N238 PolarHBondContact O-N 2.79Å; P236-W239 PolarHBondContact O-N 3.22Å; P236-W239 VanDerWaalsContact O-N 3.14Å |
| 237 | Y | 63.6 | Low | 58.1 | Low | 155 Ų | 155 | 87.9 Ų | 87.9 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.5 | 179.4 | -67.3 | -81.4 | 0 | 0 | 0 | 114.4 | R244 H264 | Y237-R244 PolarHBondContact O-NH2 3.08Å; Y237-H264 AromaticContact CE2-CD2 3.46Å; Y237-H264 VanDerWaalsContact CE2-CD2 3.46Å; Y237-H264 WeakPolarHBondContact CE2-CD2 3.5Å; Y237-H264 AromaticContact CE2-NE2 3.21Å; Y237-H264 WeakPolarHBondContact CE2-NE2 3.13Å; Y237-H264 AromaticContact CZ-CD2 3.61Å; Y237-H264 AromaticContact CZ-NE2 3.58Å; Y237-H264 PolarHBondContact OH-CD2 2.76Å; Y237-H264 PolarHBondContact OH-NE2 3.04Å |
| 238 | N | 68.8 | Low | 58.6 | Low | 126 Ų | 126 | 87.8 Ų | 87.8 | 67% | 0.674 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.3 | 176.3 | 66.1 | -12.4 | 0 | 0 | 0 | 113.3 | P236 | P236-N238 WeakPolarHBondContact CB-OD1 3.14Å; P236-N238 PolarHBondContact O-N 2.79Å |
| 239 | W | 63.7 | Low | 58.8 | Low | 8 Ų | 8 | 81.5 Ų | 81.5 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -76.2 | 145.1 | -179.6 | -83.1 | 43.7 | 0 | 0 | 0 | 112.7 | L179 Q195 P213 W215 P236 V243 R244 | L179-W239 HydrophobicContact CD1-CH2 3.79Å; L179-W239 HydrophobicContact CD1-CZ2 4.43Å; L179-W239 HydrophobicContact CD1-CZ3 4.15Å; L179-W239 HydrophobicContact CD2-CE3 3.86Å; L179-W239 HydrophobicContact CD2-CH2 3.96Å; L179-W239 HydrophobicContact CD2-CZ3 3.42Å; L179-W239 VanDerWaalsContact CD2-CZ3 3.42Å; L179-W239 HydrophobicContact CG-CH2 4.15Å; L179-W239 HydrophobicContact CG-CZ3 4.03Å; Q195-W239 HydrophobicContact CB-CZ2 4.38Å; P213-W239 HydrophobicContact CB-CH2 3.57Å; P213-W239 HydrophobicContact CB-CZ3 3.91Å; P213-W239 HydrophobicContact CG-CH2 3.99Å; P213-W239 HydrophobicContact CG-CZ3 3.92Å; W215-W239 AromaticContact CH2-CD2 3.82Å; W215-W239 HydrophobicContact CH2-CD2 3.82Å; W215-W239 AromaticContact CH2-CE2 3.93Å; W215-W239 AromaticContact CH2-CE3 3.4Å; W215-W239 HydrophobicContact CH2-CE3 3.4Å; W215-W239 VanDerWaalsContact CH2-CE3 3.4Å; W215-W239 AromaticContact CH2-CH2 3.33Å; W215-W239 HydrophobicContact CH2-CH2 3.33Å; W215-W239 AromaticContact CH2-CZ2 3.73Å; W215-W239 HydrophobicContact CH2-CZ2 3.73Å; W215-W239 AromaticContact CH2-CZ3 3.12Å; W215-W239 HydrophobicContact CH2-CZ3 3.12Å; W215-W239 AromaticContact CZ2-CE3 3.84Å; W215-W239 HydrophobicContact CZ2-CE3 3.84Å; W215-W239 AromaticContact CZ2-CH2 3.89Å; W215-W239 HydrophobicContact CZ2-CH2 3.89Å; W215-W239 AromaticContact CZ2-CZ3 3.38Å; W215-W239 HydrophobicContact CZ2-CZ3 3.38Å; W215-W239 AromaticContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CZ2 4.01Å; W215-W239 HydrophobicContact CZ3-CZ3 4.13Å; P236-W239 PolarHBondContact O-N 3.22Å; P236-W239 VanDerWaalsContact O-N 3.14Å; W239-V243 HydrophobicContact CE3-CB 3.89Å; W239-V243 HydrophobicContact CE3-CG1 3.32Å; W239-V243 HydrophobicContact CE3-CG2 4.35Å; W239-V243 HydrophobicContact CZ3-CB 4.46Å; W239-V243 HydrophobicContact CZ3-CG1 3.47Å; W239-V243 VanDerWaalsContact CZ3-CG1 3.47Å; W239-R244 PolarHBondContact O-NE 3.14Å; W239-R244 PolarHBondContact O-NH2 3.2Å |
| 240 | P | 67.2 | Low | 58.9 | Low | 53 Ų | 53 | 75.4 Ų | 75.4 | 34% | 0.344 | 39% | 0.385 | S | S | . | . | trans | -56.3 | 141.3 | 178.4 | -24.1 | 32.4 | 0 | 0 | 0 | 112.5 | W242 V243 R244 | P240-W242 VanDerWaalsContact CB-CD1 3.45Å; P240-W242 HydrophobicContact CB-CD2 4.49Å; P240-W242 HydrophobicContact CB-CG 4.25Å; P240-W242 PolarHBondContact O-N 3.11Å; P240-W242 VanDerWaalsContact O-N 3.14Å; P240-V243 HydrophobicContact CB-CG2 4.08Å; P240-V243 HydrophobicContact CG-CG2 4.2Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 2.95Å; P240-R244 PolarHBondContact O-N 3.35Å | ||
| 241 | P | 67 | Low | 58.5 | Low | 101 Ų | 101 | 75.7 Ų | 75.7 | 66% | 0.656 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55 | -36.3 | -176.3 | -27.6 | 34.4 | 0 | 0 | 0 | 113.9 | V243 R244 A245 | P241-V243 VanDerWaalsContact C-N 3.25Å; P241-V243 PolarHBondContact O-N 2.87Å; P241-R244 PolarHBondContact O-N 2.95Å; P241-A245 PolarHBondContact O-N 3.34Å |
| 242 | W | 66.8 | Low | 58.4 | Low | 105 Ų | 105 | 74.8 Ų | 74.8 | 40% | 0.398 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -25.4 | 179.7 | 67.2 | -100.3 | 0 | 0 | 0 | 113 | L179 P240 R246 | L179-W242 VanDerWaalsContact C-CH2 3.5Å; L179-W242 HydrophobicContact CD2-CH2 4.48Å; L179-W242 WeakPolarHBondContact O-CH2 3.38Å; P240-W242 VanDerWaalsContact CB-CD1 3.45Å; P240-W242 HydrophobicContact CB-CD2 4.49Å; P240-W242 HydrophobicContact CB-CG 4.25Å; P240-W242 PolarHBondContact O-N 3.11Å; P240-W242 VanDerWaalsContact O-N 3.14Å; W242-R246 WeakPolarHBondContact O-CG 3.23Å; W242-R246 PolarHBondContact O-N 3.29Å |
| 243 | V | 64 | Low | 57.7 | Low | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.012 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -78.1 | -42.2 | 174.6 | -170 | 0 | 0 | 0 | 0 | 110.4 | L179 W239 P240 P241 A245 R246 T247 | L179-V243 HydrophobicContact CD2-CB 4.25Å; L179-V243 HydrophobicContact CD2-CG1 3.79Å; L179-V243 HydrophobicContact CD2-CG2 3.46Å; L179-V243 VanDerWaalsContact CD2-CG2 3.46Å; W239-V243 HydrophobicContact CE3-CB 3.89Å; W239-V243 HydrophobicContact CE3-CG1 3.32Å; W239-V243 HydrophobicContact CE3-CG2 4.35Å; W239-V243 HydrophobicContact CZ3-CB 4.46Å; W239-V243 HydrophobicContact CZ3-CG1 3.47Å; W239-V243 VanDerWaalsContact CZ3-CG1 3.47Å; P240-V243 HydrophobicContact CB-CG2 4.08Å; P240-V243 HydrophobicContact CG-CG2 4.2Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 2.95Å; P241-V243 VanDerWaalsContact C-N 3.25Å; P241-V243 PolarHBondContact O-N 2.87Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.06Å; V243-R246 PolarHBondContact O-N 3.14Å; V243-T247 PolarHBondContact O-N 3.36Å; V243-T247 VanDerWaalsContact O-N 3.15Å |
| 244 | R | 63.3 | Low | 57 | Low | 88 Ų | 88 | 77.9 Ų | 77.9 | 33% | 0.332 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.2 | -43.8 | 176.5 | -55.8 | -175.3 | -159.1 | 171.3 | 5.4 | 110.8 | M235 Y237 W239 P240 P241 R246 T247 G250 | M235-R244 HydrophobicContact CE-CB 3.7Å; M235-R244 HydrophobicContact CE-CG 3.74Å; M235-R244 HydrophobicContact SD-CB 4.32Å; M235-R244 HydrophobicContact SD-CG 4.09Å; Y237-R244 PolarHBondContact O-NH2 3.08Å; W239-R244 PolarHBondContact O-NE 3.14Å; W239-R244 PolarHBondContact O-NH2 3.2Å; P240-R244 PolarHBondContact O-N 3.35Å; P241-R244 PolarHBondContact O-N 2.95Å; R244-R246 VanDerWaalsContact C-N 3.26Å; R244-R246 PolarHBondContact O-N 3.35Å; R244-T247 PolarHBondContact O-N 3.25Å; R244-T247 PolarHBondContact O-OG1 3.33Å; R244-G250 WeakPolarHBondContact O-CA 3.36Å |
| 245 | A | 62.9 | Low | 56.4 | Low | 74 Ų | 74 | 81.1 Ų | 81.1 | 61% | 0.612 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.3 | -23.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P241 V243 | P241-A245 PolarHBondContact O-N 3.34Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.06Å |
| 246 | R | 59 | Low | 55.7 | Low | 152 Ų | 152 | 84.2 Ų | 84.2 | 57% | 0.574 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -96.3 | -8.3 | 179.8 | -71.9 | -179 | -173.1 | -179.8 | 3.3 | 113.9 | A177 W242 V243 R244 | A177-R246 HydrophobicContact CB-CB 3.64Å; A177-R246 HydrophobicContact CB-CG 4.31Å; W242-R246 WeakPolarHBondContact O-CG 3.23Å; W242-R246 PolarHBondContact O-N 3.29Å; V243-R246 PolarHBondContact O-N 3.14Å; R244-R246 VanDerWaalsContact C-N 3.26Å; R244-R246 PolarHBondContact O-N 3.35Å |
| 247 | T | 55.7 | Low | 54.8 | Low | 9 Ų | 9 | 85.6 Ų | 85.6 | 6% | 0.055 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -74.2 | 139.7 | 169.1 | 59.7 | 0 | 0 | 0 | 0 | 109.5 | W215 M235 V243 R244 W249 G250 | W215-T247 HydrophobicContact CZ2-CG2 3.52Å; M235-T247 HydrophobicContact SD-CG2 3.69Å; V243-T247 PolarHBondContact O-N 3.36Å; V243-T247 VanDerWaalsContact O-N 3.15Å; R244-T247 PolarHBondContact O-N 3.25Å; R244-T247 PolarHBondContact O-OG1 3.33Å; T247-W249 PolarHBondContact O-N 3.05Å; T247-G250 PolarHBondContact O-N 3.15Å; T247-G250 PolarHBondContact OG1-N 2.7Å |
| 248 | P | 53.2 | Low | 53.9 | Low | 82 Ų | 82 | 88.1 Ų | 88.1 | 53% | 0.532 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -17 | 175.6 | -24.3 | 32.3 | 0 | 0 | 0 | 114 | ||
| 249 | W | 49.7 | Very low | 52.9 | Low | 95 Ų | 95 | 85.5 Ų | 85.5 | 36% | 0.36 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.3 | -178.2 | -49.6 | 111.6 | 0 | 0 | 0 | 113.9 | Y232 T247 L251 Y256 | Y232-W249 HydrophobicContact CD1-CZ2 4.19Å; Y232-W249 AromaticContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE2-CZ2 4.44Å; Y232-W249 AromaticContact CZ-CZ2 3.67Å; T247-W249 PolarHBondContact O-N 3.05Å; W249-L251 VanDerWaalsContact C-N 3.25Å; W249-L251 PolarHBondContact O-N 3.4Å; W249-Y256 HydrophobicContact CE3-CD2 4.14Å; W249-Y256 AromaticContact CH2-CD2 3.93Å; W249-Y256 HydrophobicContact CH2-CD2 3.93Å; W249-Y256 AromaticContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CG 4.48Å; W249-Y256 AromaticContact CZ3-CD2 3.22Å; W249-Y256 HydrophobicContact CZ3-CD2 3.22Å; W249-Y256 AromaticContact CZ3-CE2 3.54Å; W249-Y256 HydrophobicContact CZ3-CE2 3.54Å; W249-Y256 AromaticContact CZ3-CG 3.83Å; W249-Y256 HydrophobicContact CZ3-CG 3.83Å |
| 250 | G | 43.7 | Very low | 52 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 38% | 0.381 | 48% | 0.481 | S | S | . | . | trans | -79.9 | 2.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | R244 T247 | R244-G250 WeakPolarHBondContact O-CA 3.36Å; T247-G250 PolarHBondContact O-N 3.15Å; T247-G250 PolarHBondContact OG1-N 2.7Å | ||
| 251 | L | 44.1 | Very low | 51.2 | Low | 118 Ų | 118 | 96.2 Ų | 96.2 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -91.1 | 128.4 | 178.3 | -74.1 | 164.3 | 0 | 0 | 0 | 110.5 | W249 H253 G254 | W249-L251 VanDerWaalsContact C-N 3.25Å; W249-L251 PolarHBondContact O-N 3.4Å; L251-H253 PolarHBondContact O-N 3.08Å; L251-G254 PolarHBondContact O-N 2.77Å |
| 252 | P | 45.3 | Very low | 50.4 | Low | 98 Ų | 98 | 99.5 Ų | 99.5 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -1.2 | -179.5 | 21.2 | -28.8 | 0 | 0 | 0 | 115 | ||
| 253 | H | 40.8 | Very low | 49.5 | Very low | 175 Ų | 175 | 98.4 Ų | 98.4 | 81% | 0.81 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | 10.9 | -172.4 | -59.8 | -64.7 | 0 | 0 | 0 | 114.8 | L251 | L251-H253 PolarHBondContact O-N 3.08Š|
| 254 | G | 40.4 | Very low | 48.6 | Very low | 25 Ų | 25 | 101.4 Ų | 101.4 | 26% | 0.258 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -71.4 | 149.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L251 Y256 A257 | L251-G254 PolarHBondContact O-N 2.77Å; G254-Y256 PolarHBondContact O-N 3.47Å; G254-A257 PolarHBondContact O-N 2.94Å |
| 255 | P | 44 | Very low | 48 | Very low | 120 Ų | 120 | 102.4 Ų | 102.4 | 78% | 0.779 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 2.5 | -171.6 | 12.2 | -16.1 | 0 | 0 | 0 | 115.9 | ||
| 256 | Y | 45.9 | Very low | 47.2 | Very low | 120 Ų | 120 | 104.7 Ų | 104.7 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 4.1 | -172.9 | -52.1 | -92.4 | 0 | 0 | 0 | 113.3 | W249 G254 K258 T259 | W249-Y256 HydrophobicContact CE3-CD2 4.14Å; W249-Y256 AromaticContact CH2-CD2 3.93Å; W249-Y256 HydrophobicContact CH2-CD2 3.93Å; W249-Y256 AromaticContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CG 4.48Å; W249-Y256 AromaticContact CZ3-CD2 3.22Å; W249-Y256 HydrophobicContact CZ3-CD2 3.22Å; W249-Y256 AromaticContact CZ3-CE2 3.54Å; W249-Y256 HydrophobicContact CZ3-CE2 3.54Å; W249-Y256 AromaticContact CZ3-CG 3.83Å; W249-Y256 HydrophobicContact CZ3-CG 3.83Å; G254-Y256 PolarHBondContact O-N 3.47Å; Y256-K258 PolarHBondContact O-N 3.31Å; Y256-K258 VanDerWaalsContact O-N 3.14Å; Y256-T259 PolarHBondContact O-N 3.31Å; Y256-T259 PolarHBondContact O-OG1 2.9Å |
| 257 | A | 42.8 | Very low | 46.6 | Very low | 54 Ų | 54 | 101.4 Ų | 101.4 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G254 | G254-A257 PolarHBondContact O-N 2.94Š|
| 258 | K | 44.5 | Very low | 46.3 | Very low | 208 Ų | 208 | 104.2 Ų | 104.2 | 90% | 0.904 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.5 | -178.4 | -64.8 | -174.4 | -179 | -179.7 | 0 | 114 | Y256 | Y256-K258 PolarHBondContact O-N 3.31Å; Y256-K258 VanDerWaalsContact O-N 3.14Å |
| 259 | T | 46.9 | Very low | 45.8 | Very low | 71 Ų | 71 | 104.9 Ų | 104.9 | 44% | 0.436 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -15.4 | 179 | 13.4 | 0 | 0 | 0 | 0 | 113.8 | Y256 K261 K262 Q263 | Y256-T259 PolarHBondContact O-N 3.31Å; Y256-T259 PolarHBondContact O-OG1 2.9Å; T259-K261 VanDerWaalsContact C-N 3.35Å; T259-K261 PolarHBondContact O-N 3.39Å; T259-K262 PolarHBondContact O-N 3.26Å; T259-Q263 PolarHBondContact O-N 3.4Å |
| 260 | H | 45.7 | Very low | 45.4 | Very low | 105 Ų | 105 | 104.2 Ų | 104.2 | 49% | 0.486 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -37.3 | -175.5 | -98.9 | -106.3 | 0 | 0 | 0 | 114.4 | ||
| 261 | K | 49 | Very low | 45.1 | Very low | 182 Ų | 182 | 107.2 Ų | 107.2 | 79% | 0.791 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.8 | -26.5 | -176 | -155.8 | 169.6 | -174.5 | 175.4 | 0 | 113 | T259 | T259-K261 VanDerWaalsContact C-N 3.35Å; T259-K261 PolarHBondContact O-N 3.39Å |
| 262 | K | 50.3 | Low | 44.6 | Very low | 170 Ų | 170 | 106.8 Ų | 106.8 | 74% | 0.739 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -81.2 | -38.1 | -176 | -126.2 | 176.2 | -176 | -178.2 | 0 | 111.9 | T259 L266 | T259-K262 PolarHBondContact O-N 3.26Å; K262-L266 WeakPolarHBondContact O-CD1 3.47Å |
| 263 | Q | 48.1 | Very low | 43.9 | Very low | 81 Ų | 81 | 110.7 Ų | 110.7 | 38% | 0.379 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -78.2 | -29.7 | -179.9 | -66.2 | -176.2 | -42.2 | 0 | 0 | 113.6 | F234 T259 N265 L266 L267 | F234-Q263 HydrophobicContact CE1-CB 3.52Å; F234-Q263 HydrophobicContact CZ-CB 3.35Å; F234-Q263 HydrophobicContact CZ-CG 4.18Å; T259-Q263 PolarHBondContact O-N 3.4Å; Q263-N265 VanDerWaalsContact C-N 3.28Å; Q263-N265 PolarHBondContact O-N 2.89Å; Q263-L266 PolarHBondContact O-N 3.05Å; Q263-L267 VanDerWaalsContact O-CD1 3.25Å; Q263-L267 WeakPolarHBondContact O-CD1 3.41Å; Q263-L267 PolarHBondContact O-N 3.49Å |
| 264 | H | 45.1 | Very low | 43.5 | Very low | 66 Ų | 66 | 110 Ų | 110 | 31% | 0.306 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.9 | -40.8 | 174.5 | -170.5 | -96.3 | 0 | 0 | 0 | 111.9 | Y237 L266 L267 T268 | Y237-H264 AromaticContact CE2-CD2 3.46Å; Y237-H264 VanDerWaalsContact CE2-CD2 3.46Å; Y237-H264 WeakPolarHBondContact CE2-CD2 3.5Å; Y237-H264 AromaticContact CE2-NE2 3.21Å; Y237-H264 WeakPolarHBondContact CE2-NE2 3.13Å; Y237-H264 AromaticContact CZ-CD2 3.61Å; Y237-H264 AromaticContact CZ-NE2 3.58Å; Y237-H264 PolarHBondContact OH-CD2 2.76Å; Y237-H264 PolarHBondContact OH-NE2 3.04Å; H264-L266 VanDerWaalsContact C-N 3.3Å; H264-L266 PolarHBondContact O-N 3.06Å; H264-L267 PolarHBondContact O-N 3.01Å; H264-T268 PolarHBondContact CE1-OG1 3.46Å; H264-T268 VanDerWaalsContact CE1-OG1 3.32Å; H264-T268 PolarHBondContact ND1-OG1 3.21Å; H264-T268 VanDerWaalsContact O-CB 3.29Å; H264-T268 WeakPolarHBondContact O-CB 3.35Å; H264-T268 PolarHBondContact O-N 2.88Å; H264-T268 PolarHBondContact O-OG1 2.63Å |
| 265 | N | 50.2 | Low | 43 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.3 | -19.7 | 177.5 | -82 | -5.9 | 0 | 0 | 0 | 114.2 | Q263 S269 | Q263-N265 VanDerWaalsContact C-N 3.28Å; Q263-N265 PolarHBondContact O-N 2.89Å; N265-S269 VanDerWaalsContact O-CB 3.3Å; N265-S269 WeakPolarHBondContact O-CB 3.31Å; N265-S269 PolarHBondContact O-N 2.89Å; N265-S269 PolarHBondContact O-OG 3.19Å |
| 266 | L | 47.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 64% | 0.644 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.5 | -31.9 | 177.4 | -84 | 147.7 | 0 | 0 | 0 | 112.2 | K262 Q263 H264 S270 | K262-L266 WeakPolarHBondContact O-CD1 3.47Å; Q263-L266 PolarHBondContact O-N 3.05Å; H264-L266 VanDerWaalsContact C-N 3.3Å; H264-L266 PolarHBondContact O-N 3.06Å; L266-S270 PolarHBondContact O-OG 3.14Å |
| 267 | L | 46.1 | Very low | 42.1 | Very low | 82 Ų | 82 | 119.5 Ų | 119.5 | 43% | 0.429 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -93.9 | -27.8 | 177.2 | -73.9 | 89.6 | 0 | 0 | 0 | 113.5 | F234 Q263 H264 S269 S270 | F234-L267 HydrophobicContact CD2-CD1 4.07Å; F234-L267 HydrophobicContact CD2-CD2 3.68Å; F234-L267 HydrophobicContact CD2-CG 4.4Å; F234-L267 HydrophobicContact CE2-CD1 3.22Å; F234-L267 HydrophobicContact CE2-CD2 3.54Å; F234-L267 HydrophobicContact CE2-CG 3.96Å; F234-L267 HydrophobicContact CZ-CD1 3.71Å; Q263-L267 VanDerWaalsContact O-CD1 3.25Å; Q263-L267 WeakPolarHBondContact O-CD1 3.41Å; Q263-L267 PolarHBondContact O-N 3.49Å; H264-L267 PolarHBondContact O-N 3.01Å; L267-S269 VanDerWaalsContact C-N 3.29Å; L267-S270 PolarHBondContact O-N 2.94Å; L267-S270 PolarHBondContact O-OG 2.98Å |
| 268 | T | 48.3 | Very low | 41.6 | Very low | 69 Ų | 69 | 121.7 Ų | 121.7 | 42% | 0.423 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.3 | -26.4 | 175 | -41.9 | 0 | 0 | 0 | 0 | 111.3 | H264 S270 S271 | H264-T268 PolarHBondContact CE1-OG1 3.46Å; H264-T268 VanDerWaalsContact CE1-OG1 3.32Å; H264-T268 PolarHBondContact ND1-OG1 3.21Å; H264-T268 VanDerWaalsContact O-CB 3.29Å; H264-T268 WeakPolarHBondContact O-CB 3.35Å; H264-T268 PolarHBondContact O-N 2.88Å; H264-T268 PolarHBondContact O-OG1 2.63Å; T268-S270 VanDerWaalsContact C-N 3.28Å; T268-S271 WeakPolarHBondContact O-CB 3.29Å; T268-S271 PolarHBondContact O-N 3.11Å; T268-S271 PolarHBondContact O-OG 2.93Å |
| 269 | S | 43.6 | Very low | 41.4 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -6.3 | 170.8 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | N265 L267 S271 | N265-S269 VanDerWaalsContact O-CB 3.3Å; N265-S269 WeakPolarHBondContact O-CB 3.31Å; N265-S269 PolarHBondContact O-N 2.89Å; N265-S269 PolarHBondContact O-OG 3.19Å; L267-S269 VanDerWaalsContact C-N 3.29Å; S269-S271 VanDerWaalsContact C-N 3.3Å |
| 270 | S | 40.2 | Very low | 40.7 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 57% | 0.573 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 9.2 | 170.7 | -29.5 | 0 | 0 | 0 | 0 | 112.6 | L266 L267 T268 V272 | L266-S270 PolarHBondContact O-OG 3.14Å; L267-S270 PolarHBondContact O-N 2.94Å; L267-S270 PolarHBondContact O-OG 2.98Å; T268-S270 VanDerWaalsContact C-N 3.28Å; S270-V272 PolarHBondContact O-N 3.05Å |
| 271 | S | 37.6 | Very low | 40.2 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | trans | -74.3 | 52.7 | 170.2 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | T268 S269 | T268-S271 WeakPolarHBondContact O-CB 3.29Å; T268-S271 PolarHBondContact O-N 3.11Å; T268-S271 PolarHBondContact O-OG 2.93Å; S269-S271 VanDerWaalsContact C-N 3.3Å | ||
| 272 | V | 34.3 | Very low | 39.5 | Very low | 109 Ų | 109 | 123 Ų | 123 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -88.8 | 119.3 | 152.4 | 176.1 | 0 | 0 | 0 | 0 | 105 | S270 Q274 | S270-V272 PolarHBondContact O-N 3.05Å; V272-Q274 PolarHBondContact O-N 2.99Å |
| 273 | Q | 29.9 | Very low | 38.9 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 84% | 0.841 | 66% | 0.656 | S | S | * | * | trans | -33.7 | 109.1 | 165.5 | -72.2 | 155.7 | -68.4 | 0 | 0 | 110.5 | ||||
| 274 | Q | 33.2 | Very low | 38.4 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | trans | -118.3 | 81.4 | 162.6 | -76.3 | -170.8 | -18.1 | 0 | 0 | 107.4 | V272 Y276 | V272-Q274 PolarHBondContact O-N 2.99Å; Q274-Y276 HydrophobicContact CB-CD2 4.42Å; Q274-Y276 PolarHBondContact O-N 3.18Å | ||
| 275 | D | 30.4 | Very low | 37.9 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | -43 | 94.7 | 135.4 | -87.9 | -56.9 | 0 | 0 | 0 | 108.6 | ||||
| 276 | Y | 35.6 | Very low | 37.2 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 78% | 0.784 | 71% | 0.709 | S | S | * | * | trans | -147.9 | 94.7 | 163.1 | -95.1 | -77.2 | 0 | 0 | 0 | 110.3 | Q274 | Q274-Y276 HydrophobicContact CB-CD2 4.42Å; Q274-Y276 PolarHBondContact O-N 3.18Å | ||
| 277 | S | 34.1 | Very low | 36.5 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | 16.1 | 126.6 | 141.6 | -54.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 278 | S | 32.8 | Very low | 36 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | -46.8 | 139.1 | 165.1 | -76.7 | 0 | 0 | 0 | 0 | 111.9 | N280 | S278-N280 PolarHBondContact O-N 3.23Å; S278-N280 VanDerWaalsContact O-N 3.14Å | ||
| 279 | P | 39.7 | Very low | 35.4 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | -69.1 | 112 | 163.6 | 27.3 | -27.8 | 0 | 0 | 0 | 108.2 | Y281 | P279-Y281 WeakPolarHBondContact O-CD1 3.36Å; P279-Y281 PolarHBondContact O-N 3.2Å | ||
| 280 | N | 33.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | -59.1 | 119.9 | 167.5 | -161.5 | -9.2 | 0 | 0 | 0 | 108 | S278 E282 | S278-N280 PolarHBondContact O-N 3.23Å; S278-N280 VanDerWaalsContact O-N 3.14Å; N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.07Å | ||
| 281 | Y | 33.9 | Very low | 34.9 | Very low | 204 Ų | 204 | 147.5 Ų | 147.5 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | -78.9 | 82.1 | 175 | 6 | -91.5 | 0 | 0 | 0 | 107.6 | P279 E283 | P279-Y281 WeakPolarHBondContact O-CD1 3.36Å; P279-Y281 PolarHBondContact O-N 3.2Å; Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 3.11Å | ||
| 282 | E | 34.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -76.7 | 89.2 | 167.5 | -85.6 | -177.4 | 126.3 | 0 | 0 | 110.1 | N280 H284 | N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.07Å; E282-H284 PolarHBondContact O-N 3.23Å; E282-H284 PolarHBondContact O-ND1 3.38Å | ||
| 283 | E | 37 | Very low | 35 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | -16.7 | 105 | 146.8 | -158.5 | 170.9 | 151.6 | 0 | 0 | 114.2 | Y281 | Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 3.11Å | ||
| 284 | H | 38.4 | Very low | 35.3 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -120.3 | 80.5 | 165.4 | -78.4 | 67.2 | 0 | 0 | 0 | 109 | E282 | E282-H284 PolarHBondContact O-N 3.23Å; E282-H284 PolarHBondContact O-ND1 3.38Å | ||
| 285 | N | 35.2 | Very low | 35.5 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 176 | 107.2 | 146.9 | -116.9 | -52.7 | 0 | 0 | 0 | 109 | ||||
| 286 | Y | 34.6 | Very low | 36 | Very low | 229 Ų | 229 | 144.7 Ų | 144.7 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | -172.5 | 100.5 | 126.6 | -102.6 | -73.8 | 0 | 0 | 0 | 106.8 | |||||
| 287 | G | 34.3 | Very low | 36 | Very low | 63 Ų | 63 | 146.4 Ų | 146.4 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | -66.6 | 148.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 288 | N | 33.7 | Very low | 36.4 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 76.6 | 106.1 | 153.6 | -134.7 | -7.9 | 0 | 0 | 0 | 116.1 | ||||
| 289 | Y | 35.6 | Very low | 36.8 | Very low | 211 Ų | 211 | 146.4 Ų | 146.4 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | 170.3 | 90.5 | 140.7 | -94 | -71.7 | 0 | 0 | 0 | 106.1 | ||||
| 290 | Q | 37.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | 66.3 | 112.6 | 105.3 | -83.4 | -167.6 | -28.4 | 0 | 0 | 115.2 | |||||
| 291 | N | 36.7 | Very low | 37.1 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | 80.5 | 130.3 | 125.8 | -73.3 | -25.9 | 0 | 0 | 0 | 121.2 | |||||
| 292 | H | 37.8 | Very low | 37.4 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | 72.4 | 132 | 156.2 | -60.1 | -59.1 | 0 | 0 | 0 | 115.1 | ||||
| 293 | T | 36.3 | Very low | 37.6 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -178.2 | 125.1 | 21.7 | 12.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 294 | S | 36.4 | Very low | 37.8 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | 49.5 | 113.5 | 101.4 | -41.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 295 | N | 37.5 | Very low | 37.7 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 158.7 | 98.6 | 145.3 | -81.1 | -25.1 | 0 | 0 | 0 | 108.1 | ||||
| 296 | V | 40 | Very low | 38 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | 55.1 | 103.4 | 71.2 | -171.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 297 | Y | 37.4 | Very low | 38.5 | Very low | 237 Ų | 237 | 147.1 Ų | 147.1 | 93% | 0.929 | 79% | 0.787 | S | S | * | * | trans | -154.3 | 89.4 | 147.2 | -108.5 | -84.2 | 0 | 0 | 0 | 106.7 | ||||
| 298 | N | 40.8 | Very low | 38.8 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | 66.5 | 126.5 | 80.8 | -105.3 | -12 | 0 | 0 | 0 | 116.8 | |||||
| 299 | G | 41.3 | Very low | 39 | Very low | 72 Ų | 72 | 151.5 Ų | 151.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 138.9 | 64 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 300 | T | 39.6 | Very low | 39.2 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | 61.8 | 102.7 | 71.4 | -39.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 301 | L | 41.4 | Very low | 39.3 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | -157.8 | 111.8 | 129.9 | -115 | 154.1 | 0 | 0 | 0 | 111.9 | |||||
| 302 | H | 39 | Very low | 39.5 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -58 | 154.3 | 175.4 | -110.8 | -138.4 | 0 | 0 | 0 | 114.2 | ||||
| 303 | K | 39.4 | Very low | 39.6 | Very low | 207 Ų | 207 | 149.7 Ų | 149.7 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | -170.7 | 138.1 | 127.5 | -103.1 | 164 | -173.3 | -176.2 | 0 | 112.8 | |||||
| 304 | S | 40.3 | Very low | 39.8 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | 114.8 | 83.6 | 166.9 | -157.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 305 | V | 36.7 | Very low | 40.1 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 75% | 0.745 | 83% | 0.83 | S | S | * | * | 59 | 110.6 | 86.1 | -178.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 306 | Y | 41.3 | Very low | 40.3 | Very low | 216 Ų | 216 | 156.1 Ų | 156.1 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | trans | -166.7 | 124.5 | 131.1 | -100.2 | -75.8 | 0 | 0 | 0 | 109.3 | ||||
| 307 | V | 46.5 | Very low | 40.3 | Very low | 215 Ų | 215 | 160.4 Ų | 160.4 | 100% | 1.303 | 85% | 0.845 | S | S | * | * | trans | 71.3 | 0 | 176.9 | -158.9 | 0 | 0 | 0 | 0 | 117.1 |
Retrieved 307 of 307 residues in 101.8 ms
(Link to these results)