| 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 | 42.3 | Very low | 58.1 | Low | 228 Ų | 228 | 115.7 Ų | 115.7 | 100% | 1.123 | 65% | 0.648 | S | S | * | * | 0 | 129 | 0 | -70.5 | 158.2 | 65.9 | 0 | 0 | 108 | |||||
| 2 | V | 43.8 | Very low | 58.6 | Low | 133 Ų | 133 | 120.8 Ų | 120.8 | 81% | 0.806 | 65% | 0.652 | S | S | * | * | trans | -120.1 | 113.2 | 167.8 | 177.7 | 0 | 0 | 0 | 0 | 106.1 | L4 | V2-L4 PolarHBondContact O-N 3.37Š| ||
| 3 | V | 52.2 | Low | 59.1 | Low | 133 Ų | 133 | 119.7 Ų | 119.7 | 81% | 0.806 | 65% | 0.645 | S | S | * | * | trans | -85.7 | 93.6 | -179.3 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | N5 | V3-N5 PolarHBondContact O-N 3.42Š| ||
| 4 | L | 56.2 | Low | 59.4 | Low | 125 Ų | 125 | 121.1 Ų | 121.1 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | trans | -68.3 | 124.5 | 172.3 | -84.5 | 160.6 | 0 | 0 | 0 | 109.5 | V2 | V2-L4 PolarHBondContact O-N 3.37Š| ||
| 5 | N | 61.1 | Low | 59.7 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 48% | 0.481 | 64% | 0.639 | S | S | . | * | trans | -68.5 | 129.6 | -178.4 | -176.4 | -28.4 | 0 | 0 | 0 | 109.6 | V3 M7 T8 L9 | V3-N5 PolarHBondContact O-N 3.42Å; N5-M7 PolarHBondContact O-N 3.24Å; N5-M7 PolarHBondContact OD1-N 3.46Å; N5-M7 VanDerWaalsContact OD1-N 3.14Å; N5-T8 PolarHBondContact O-N 3.35Å; N5-T8 PolarHBondContact O-OG1 3.47Å; N5-L9 PolarHBondContact O-N 3.42Å | ||
| 6 | P | 60.1 | Low | 59.9 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56.1 | -27.2 | -177.7 | 20.7 | -33.3 | 0 | 0 | 0 | 113.8 | L9 G10 | P6-L9 PolarHBondContact O-N 3.37Å; P6-G10 PolarHBondContact O-N 3.29Å |
| 7 | M | 61 | Low | 59.8 | Low | 146 Ų | 146 | 120.8 Ų | 120.8 | 72% | 0.719 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.8 | -39.5 | 174.7 | -71.3 | -62.8 | -158.6 | 0 | 0 | 113.3 | N5 G10 I11 | N5-M7 PolarHBondContact O-N 3.24Å; N5-M7 PolarHBondContact OD1-N 3.46Å; N5-M7 VanDerWaalsContact OD1-N 3.14Å; M7-G10 PolarHBondContact O-N 3.15Å; M7-I11 WeakPolarHBondContact O-CG1 3.06Å; M7-I11 PolarHBondContact O-N 3.23Å |
| 8 | T | 62.7 | Low | 59.4 | Low | 62 Ų | 62 | 121 Ų | 121 | 38% | 0.38 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.5 | -30.6 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | N5 I11 Y12 | N5-T8 PolarHBondContact O-N 3.35Å; N5-T8 PolarHBondContact O-OG1 3.47Å; T8-I11 PolarHBondContact O-N 3.37Å; T8-Y12 PolarHBondContact O-N 3.1Å; T8-Y12 VanDerWaalsContact O-N 3.08Å |
| 9 | L | 62.8 | Low | 59.1 | Low | 116 Ų | 116 | 118.2 Ų | 118.2 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.9 | -42.5 | 173.9 | -157.9 | 77.9 | 0 | 0 | 0 | 111.6 | N5 P6 Y12 L13 | N5-L9 PolarHBondContact O-N 3.42Å; P6-L9 PolarHBondContact O-N 3.37Å; L9-Y12 PolarHBondContact O-N 3.27Å; L9-L13 PolarHBondContact O-N 3.4Å |
| 10 | G | 68.1 | Low | 58.7 | Low | 35 Ų | 35 | 118.7 Ų | 118.7 | 36% | 0.361 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.7 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P6 M7 L13 Q14 | P6-G10 PolarHBondContact O-N 3.29Å; M7-G10 PolarHBondContact O-N 3.15Å; G10-L13 PolarHBondContact O-N 3.23Å; G10-Q14 PolarHBondContact O-N 2.98Å |
| 11 | I | 68.4 | Low | 58.1 | Low | 100 Ų | 100 | 119.3 Ų | 119.3 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.1 | -44.1 | 177.4 | -65.6 | 165.6 | 0 | 0 | 0 | 110.9 | M7 T8 L13 Q14 L15 | M7-I11 WeakPolarHBondContact O-CG1 3.06Å; M7-I11 PolarHBondContact O-N 3.23Å; T8-I11 PolarHBondContact O-N 3.37Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 2.91Å; I11-Q14 PolarHBondContact O-N 2.93Å; I11-L15 HydrophobicContact CG2-CD1 4.09Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.19Å |
| 12 | Y | 64.9 | Low | 58.2 | Low | 177 Ų | 177 | 112.6 Ų | 112.6 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.6 | -37.6 | 175 | -98.4 | -87.6 | 0 | 0 | 0 | 112.6 | T8 L9 L15 F16 | T8-Y12 PolarHBondContact O-N 3.1Å; T8-Y12 VanDerWaalsContact O-N 3.08Å; L9-Y12 PolarHBondContact O-N 3.27Å; Y12-L15 PolarHBondContact O-N 3.23Å; Y12-F16 WeakPolarHBondContact O-CB 3.28Å; Y12-F16 PolarHBondContact O-N 3.17Å |
| 13 | L | 64.6 | Low | 58.1 | Low | 106 Ų | 106 | 113.3 Ų | 113.3 | 56% | 0.555 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.4 | -42.5 | 177.3 | -153 | 77.1 | 0 | 0 | 0 | 111.8 | L9 G10 I11 F16 F17 | L9-L13 PolarHBondContact O-N 3.4Å; G10-L13 PolarHBondContact O-N 3.23Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 2.91Å; L13-F16 PolarHBondContact O-N 3.01Å; L13-F17 HydrophobicContact CD2-CE2 4.3Å; L13-F17 HydrophobicContact CG-CD2 4.28Å; L13-F17 HydrophobicContact CG-CE2 4.06Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.46Å; L13-F17 PolarHBondContact O-N 3.42Å |
| 14 | Q | 63.4 | Low | 57.9 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.4 | -42.6 | 175.4 | -74.3 | -172.7 | -21.5 | 0 | 0 | 112.3 | G10 I11 F16 F17 L18 | G10-Q14 PolarHBondContact O-N 2.98Å; I11-Q14 PolarHBondContact O-N 2.93Å; Q14-F16 VanDerWaalsContact C-N 3.3Å; Q14-F16 PolarHBondContact O-N 3.19Å; Q14-F17 PolarHBondContact O-N 3.1Å; Q14-L18 VanDerWaalsContact O-CD1 3.23Å; Q14-L18 WeakPolarHBondContact O-CD1 3.31Å; Q14-L18 PolarHBondContact O-N 3.46Å |
| 15 | L | 63.8 | Low | 57.5 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 56% | 0.56 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.4 | -36.6 | 175 | -71.9 | 173.7 | 0 | 0 | 0 | 112.4 | I11 Y12 S19 | I11-L15 HydrophobicContact CG2-CD1 4.09Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.19Å; Y12-L15 PolarHBondContact O-N 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.39Å; L15-S19 PolarHBondContact O-N 3.11Å |
| 16 | F | 63.7 | Low | 56.6 | Low | 120 Ų | 120 | 117 Ų | 117 | 53% | 0.526 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.5 | -43.2 | 174 | -172.2 | -95.8 | 0 | 0 | 0 | 112.1 | Y12 L13 Q14 S19 M20 | Y12-F16 WeakPolarHBondContact O-CB 3.28Å; Y12-F16 PolarHBondContact O-N 3.17Å; L13-F16 PolarHBondContact O-N 3.01Å; Q14-F16 VanDerWaalsContact C-N 3.3Å; Q14-F16 PolarHBondContact O-N 3.19Å; F16-S19 PolarHBondContact O-N 3.44Å; F16-M20 HydrophobicContact CD1-CG 4.46Å; F16-M20 HydrophobicContact CE1-CG 4.13Å; F16-M20 HydrophobicContact CE2-CE 4.37Å; F16-M20 HydrophobicContact CZ-CE 3.99Å; F16-M20 HydrophobicContact CZ-CG 4.43Å; F16-M20 PolarHBondContact O-N 3.2Å |
| 17 | F | 57.2 | Low | 55.7 | Low | 131 Ų | 131 | 120 Ų | 120 | 58% | 0.575 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.8 | -38.6 | 175.9 | -82.5 | -67.8 | 0 | 0 | 0 | 113.4 | L13 Q14 S19 M20 V21 | L13-F17 HydrophobicContact CD2-CE2 4.3Å; L13-F17 HydrophobicContact CG-CD2 4.28Å; L13-F17 HydrophobicContact CG-CE2 4.06Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.46Å; L13-F17 PolarHBondContact O-N 3.42Å; Q14-F17 PolarHBondContact O-N 3.1Å; F17-S19 VanDerWaalsContact C-N 3.33Å; F17-S19 PolarHBondContact O-N 3.5Å; F17-M20 PolarHBondContact O-N 2.9Å; F17-V21 WeakPolarHBondContact O-CG2 3.16Å; F17-V21 PolarHBondContact O-N 3.07Å |
| 18 | L | 53.1 | Low | 54.7 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.4 | -37.5 | 173.2 | -91.9 | 80 | 0 | 0 | 0 | 112.1 | Q14 V21 | Q14-L18 VanDerWaalsContact O-CD1 3.23Å; Q14-L18 WeakPolarHBondContact O-CD1 3.31Å; Q14-L18 PolarHBondContact O-N 3.46Å; L18-V21 PolarHBondContact O-N 2.8Å |
| 19 | S | 53 | Low | 53.6 | Low | 68 Ų | 68 | 122.5 Ų | 122.5 | 48% | 0.476 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64.1 | -42.4 | 176.3 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | L15 F16 F17 V21 S22 | L15-S19 WeakPolarHBondContact O-CB 3.39Å; L15-S19 PolarHBondContact O-N 3.11Å; F16-S19 PolarHBondContact O-N 3.44Å; F17-S19 VanDerWaalsContact C-N 3.33Å; F17-S19 PolarHBondContact O-N 3.5Å; S19-V21 PolarHBondContact O-N 3Å; S19-S22 PolarHBondContact O-N 3.31Å; S19-S22 PolarHBondContact O-OG 3.26Å |
| 20 | M | 50.9 | Low | 52.5 | Low | 128 Ų | 128 | 123.4 Ų | 123.4 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.3 | -19.1 | 179.3 | -78.2 | -73.5 | 154.3 | 0 | 0 | 114.3 | F16 F17 | F16-M20 HydrophobicContact CD1-CG 4.46Å; F16-M20 HydrophobicContact CE1-CG 4.13Å; F16-M20 HydrophobicContact CE2-CE 4.37Å; F16-M20 HydrophobicContact CZ-CE 3.99Å; F16-M20 HydrophobicContact CZ-CG 4.43Å; F16-M20 PolarHBondContact O-N 3.2Å; F17-M20 PolarHBondContact O-N 2.9Å |
| 21 | V | 47.8 | Very low | 50.8 | Low | 132 Ų | 132 | 129.5 Ų | 129.5 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -89 | -10.9 | 178 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | F17 L18 S19 | F17-V21 WeakPolarHBondContact O-CG2 3.16Å; F17-V21 PolarHBondContact O-N 3.07Å; L18-V21 PolarHBondContact O-N 2.8Å; S19-V21 PolarHBondContact O-N 3Å |
| 22 | S | 44.3 | Very low | 49.1 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -98.4 | 7.7 | -173.9 | 68.7 | 0 | 0 | 0 | 0 | 116.1 | S19 | S19-S22 PolarHBondContact O-N 3.31Å; S19-S22 PolarHBondContact O-OG 3.26Å |
| 23 | Q | 40.4 | Very low | 47.5 | Very low | 148 Ų | 148 | 130 Ų | 130 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -119 | 109.3 | 178.7 | -66.3 | -161.7 | -10.4 | 0 | 0 | 113.1 | T25 | Q23-T25 VanDerWaalsContact C-N 3.27Å; Q23-T25 PolarHBondContact O-N 3.38Å; Q23-T25 VanDerWaalsContact O-N 3.07Å | ||
| 24 | P | 47.8 | Very low | 45.9 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 84% | 0.844 | 72% | 0.717 | S | S | * | * | trans | -84.9 | 33.8 | -171.6 | 35.5 | -37.6 | 0 | 0 | 0 | 114.8 | ||||
| 25 | T | 47.7 | Very low | 44.4 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | trans | -146.2 | 65.2 | -172.3 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | Q23 | Q23-T25 VanDerWaalsContact C-N 3.27Å; Q23-T25 PolarHBondContact O-N 3.38Å; Q23-T25 VanDerWaalsContact O-N 3.07Å | ||
| 26 | F | 43.6 | Very low | 42.7 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 80% | 0.803 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -146.8 | 17.5 | 171.2 | -143.8 | -101.7 | 0 | 0 | 0 | 118.5 | ||
| 27 | I | 39.9 | Very low | 41 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 86% | 0.862 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -132.7 | 73.3 | 167.9 | -49.8 | -178.9 | 0 | 0 | 0 | 110.3 | ||
| 28 | N | 40.3 | Very low | 40.4 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -165.7 | 37.8 | 162.5 | -111.8 | -24.1 | 0 | 0 | 0 | 112.8 | ||
| 29 | S | 41 | Very low | 39.1 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | -146.5 | 26.9 | -166 | 50.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 30 | V | 39.3 | Very low | 37.9 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -133.2 | 92 | 171.9 | -172.4 | 0 | 0 | 0 | 0 | 111 | ||
| 31 | L | 31.3 | Very low | 36.9 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 137.8 | 88.5 | 156.4 | -77.7 | 175.1 | 0 | 0 | 0 | 112.3 | ||||
| 32 | P | 33.8 | Very low | 36.2 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -91.3 | 136.7 | 169.5 | 34.6 | -30.2 | 0 | 0 | 0 | 112 | ||||
| 33 | I | 30.9 | Very low | 35.4 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -131.5 | 105.4 | 158.2 | -58.8 | -178.5 | 0 | 0 | 0 | 108.1 | ||||
| 34 | S | 31.8 | Very low | 34.9 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -127.1 | 120.7 | 172 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 35 | A | 30.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -154.3 | 129.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 36 | A | 28.8 | Very low | 32.9 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 42.8 | 107.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 37 | L | 28.9 | Very low | 32.1 | Very low | 172 Ų | 172 | 136 Ų | 136 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | 69.2 | 147.8 | 60.3 | -64.7 | 176.8 | 0 | 0 | 0 | 115.7 | |||||
| 38 | P | 43 | Very low | 31.7 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -128.3 | -176.2 | -138.4 | 44.5 | -31.6 | 0 | 0 | 0 | 115.7 | ||||
| 39 | G | 26.6 | Very low | 31.4 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -176.4 | 127 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 40 | L | 28.8 | Very low | 30.9 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | 37.1 | 152.3 | 140.4 | -64 | 167.5 | 0 | 0 | 0 | 121 | ||||
| 41 | D | 29.8 | Very low | 30.3 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 59% | 0.594 | 80% | 0.801 | S | S | * | * | cis | -157.3 | 159.8 | 24.2 | -160.1 | 5.7 | 0 | 0 | 0 | 114 | ||||
| 42 | Q | 33.2 | Very low | 30.3 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 56.3 | 147.8 | 159.5 | -83 | 170.1 | 81.1 | 0 | 0 | 119.6 | ||||
| 43 | K | 27.4 | Very low | 30.1 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | cis | -153.8 | 142.2 | 31.2 | -161.5 | 170.1 | -176.6 | 172.7 | 0 | 114.1 | ||||
| 44 | K | 28.1 | Very low | 30.1 | Very low | 182 Ų | 182 | 137 Ų | 137 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -16.2 | 148.9 | 155.4 | -83.4 | 160 | 168.9 | 159.7 | 0 | 116.2 | ||||
| 45 | R | 27.2 | Very low | 30.1 | Very low | 232 Ų | 232 | 137.6 Ų | 137.6 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | cis | -162.7 | 163.2 | 33.9 | -140.5 | 169 | -168.8 | 159.3 | -0.8 | 111.1 | ||||
| 46 | G | 27.1 | Very low | 30.5 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -76.7 | -171 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 47 | G | 27.4 | Very low | 31 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | cis | 165.1 | -160.3 | 2.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 48 | H | 30.9 | Very low | 31.6 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | trans | 79 | 139 | 174.4 | -61.5 | -89.1 | 0 | 0 | 0 | 119.4 | ||||
| 49 | K | 33.6 | Very low | 31.4 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -93.1 | 148.7 | 168.3 | -53.5 | 168.7 | 177.1 | 178.8 | 0 | 108.8 | ||||
| 50 | A | 31.6 | Very low | 32 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 165.9 | 127.5 | 124 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 51 | C | 27.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 17.5 | 130.2 | 145.2 | -54.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 52 | C | 30.3 | Very low | 32.5 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 72.9 | 152.4 | 144.3 | -56.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 53 | L | 30.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 142 Ų | 142 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | cis | -141.3 | 151.2 | 21.2 | -76 | 164.2 | 0 | 0 | 0 | 114.4 | ||||
| 54 | L | 31.3 | Very low | 33.5 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | 37.2 | 129 | 139 | -60.2 | 168.9 | 0 | 0 | 0 | 123.2 | ||||
| 55 | T | 30 | Very low | 34.1 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | 159 | 169.1 | 111.1 | 45 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 56 | P | 39.7 | Very low | 34.4 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | -122.4 | 171 | -60.8 | 38.2 | -23.8 | 0 | 0 | 0 | 112.5 | |||||
| 57 | P | 38.5 | Very low | 34.8 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85 | 151 | -177.9 | 33.9 | -35.9 | 0 | 0 | 0 | 114.6 | ||
| 58 | P | 41.1 | Very low | 35.1 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 156 | 169.2 | 32.8 | -34.2 | 0 | 0 | 0 | 113.1 | ||
| 59 | P | 40 | Very low | 35.1 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 165.7 | -169.9 | 36 | -36.7 | 0 | 0 | 0 | 115.1 | ||
| 60 | P | 37.9 | Very low | 34.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79 | 156.7 | -176.2 | 32.7 | -37.4 | 0 | 0 | 0 | 114.5 | ||
| 61 | L | 34.4 | Very low | 35 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -136.7 | 80.7 | 177.3 | -73.7 | 175.5 | 0 | 0 | 0 | 113 | ||||
| 62 | F | 36.2 | Very low | 35.5 | Very low | 208 Ų | 208 | 144.7 Ų | 144.7 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | trans | -140.3 | 130.2 | 155.3 | -87 | -71.6 | 0 | 0 | 0 | 109.6 | ||||
| 63 | P | 41.3 | Very low | 36.3 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 141.7 | 178.3 | 33.3 | -33.2 | 0 | 0 | 0 | 112.3 | ||
| 64 | P | 40.7 | Very low | 36.3 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 162 | 176.4 | 34.5 | -35.9 | 0 | 0 | 0 | 113 | ||
| 65 | P | 38.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 159.4 | 173.9 | 31.4 | -35.5 | 0 | 0 | 0 | 113.3 | ||
| 66 | F | 33.7 | Very low | 36.2 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 135.6 | -175.4 | -64 | -100 | 0 | 0 | 0 | 113.8 | ||
| 67 | F | 36 | Very low | 36.8 | Very low | 220 Ų | 220 | 143.5 Ų | 143.5 | 97% | 0.965 | 81% | 0.811 | S | S | * | * | trans | -136.2 | 156.8 | 146.6 | -95.1 | -78.9 | 0 | 0 | 0 | 111.4 | ||||
| 68 | R | 33 | Very low | 36.5 | Very low | 250 Ų | 250 | 143.7 Ų | 143.7 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | trans | -104.6 | 134.9 | -165 | -80.1 | 179 | 167.2 | 177.6 | -3.4 | 113.9 | ||||
| 69 | G | 31.1 | Very low | 36.1 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 98 | 136.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 70 | G | 31.1 | Very low | 35.8 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 168.2 | 178 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 71 | R | 33 | Very low | 35.6 | Very low | 242 Ų | 242 | 148.6 Ų | 148.6 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | 77.3 | 101.9 | 171.4 | -65.1 | -173.7 | 172.2 | -169.5 | -1.8 | 119.5 | ||||
| 72 | S | 37.7 | Very low | 35.4 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | 88.1 | 154.3 | 135.3 | -45.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 73 | P | 46.8 | Very low | 35.2 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -129.3 | -147.9 | -152.9 | 44.6 | -26.7 | 0 | 0 | 0 | 114.3 | ||||
| 74 | L | 31.1 | Very low | 34.7 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | 94.9 | 136.8 | -177 | -53.9 | 168.4 | 0 | 0 | 0 | 112.5 | ||||
| 75 | L | 31 | Very low | 34.3 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | cis | -151.5 | 178.9 | 1.7 | -118.8 | 163.7 | 0 | 0 | 0 | 111.8 | ||||
| 76 | S | 27.7 | Very low | 34 | Very low | 98 Ų | 98 | 152 Ų | 152 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -146.8 | 179.9 | -177.4 | -157.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 77 | P | 51.6 | Low | 33.9 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | cis | -107.2 | -127.2 | -16.8 | 23.2 | 2.4 | 0 | 0 | 0 | 109 | ||||
| 78 | D | 33.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | cis | -164 | -177.2 | -7.6 | -139.6 | -7.4 | 0 | 0 | 0 | 106.7 | ||||
| 79 | M | 32.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | cis | -149.9 | 175.3 | 1.5 | -160.8 | 167 | 59.6 | 0 | 0 | 110.6 | ||||
| 80 | K | 32.2 | Very low | 33.2 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -91.1 | 154.8 | -178.1 | -47.4 | 135.4 | -177 | 169.4 | 0 | 113.2 | ||||
| 81 | N | 33.6 | Very low | 33.3 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | 151 | 112.9 | 113.8 | -80 | -36.3 | 0 | 0 | 0 | 115 | |||||
| 82 | L | 30.6 | Very low | 33.8 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | -170.1 | 141.3 | 145.7 | -131.1 | 72.3 | 0 | 0 | 0 | 104.6 | ||||
| 83 | I | 32.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | cis | -136.8 | 160 | 26.2 | -73.9 | 161.7 | 0 | 0 | 0 | 110 | ||||
| 84 | L | 31.9 | Very low | 32.7 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -122.4 | 159.4 | 167.7 | -165.8 | 73.8 | 0 | 0 | 0 | 109.4 | ||||
| 85 | E | 31.5 | Very low | 33.2 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 69.8 | 136.3 | -179.5 | -51.6 | -171.8 | -176.6 | 0 | 0 | 113.8 | ||||
| 86 | L | 33.4 | Very low | 33.7 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | cis | -129.3 | 142.5 | 34.2 | -81.9 | 147.9 | 0 | 0 | 0 | 114.5 | ||||
| 87 | E | 30.4 | Very low | 34.5 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -96.6 | 132.7 | 168.2 | -63.4 | -173.5 | 124.8 | 0 | 0 | 112 | ||||
| 88 | T | 28.8 | Very low | 34.1 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -178.4 | 143.3 | 145.1 | 13.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 89 | S | 28.2 | Very low | 34.9 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | cis | -153.4 | 152 | 4.8 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 90 | Q | 29.3 | Very low | 36.3 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 70.7 | 109.9 | 153.2 | -68.3 | 172.8 | 6.8 | 0 | 0 | 120 | ||||
| 91 | S | 33.3 | Very low | 38 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -74.9 | -173.8 | 152.5 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 92 | P | 43.5 | Very low | 39.5 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | cis | -142.8 | -158.2 | 14.4 | 41.6 | -18.7 | 0 | 0 | 0 | 116 | ||||
| 93 | C | 25.2 | Very low | 41.5 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | 77.5 | 136 | 170.9 | -62.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 94 | M | 35.7 | Very low | 43.5 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | cis | -145.4 | 157.8 | -5.8 | -109 | -60.9 | 167.7 | 0 | 0 | 110.7 | G96 | M94-G96 PolarHBondContact O-N 2.95Š| ||
| 95 | Q | 41.5 | Very low | 45.2 | Very low | 191 Ų | 191 | 126.9 Ų | 126.9 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -85.1 | 104.1 | -172.8 | -170.9 | 174.4 | 8.9 | 0 | 0 | 112.3 | ||||
| 96 | G | 41 | Very low | 46.9 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 137.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M94 | M94-G96 PolarHBondContact O-N 2.95Š|
| 97 | S | 44.2 | Very low | 48.9 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70 | 144.1 | 177.8 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | G99 | S97-G99 PolarHBondContact O-N 3.17Š|
| 98 | L | 44.4 | Very low | 50.4 | Low | 175 Ų | 175 | 120.5 Ų | 120.5 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121.7 | 171.6 | -124.2 | 78.1 | 0 | 0 | 0 | 109.8 | ||
| 99 | G | 50.2 | Low | 52.1 | Low | 70 Ų | 70 | 119.5 Ų | 119.5 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 131.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S97 | S97-G99 PolarHBondContact O-N 3.17Š|
| 100 | S | 61.4 | Low | 54.1 | Low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 144.2 | 173 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | G102 | S100-G102 PolarHBondContact O-N 3.45Š|
| 101 | P | 67.8 | Low | 55.5 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 136.9 | 174.3 | -27.1 | 35.2 | 0 | 0 | 0 | 112.3 | ||
| 102 | G | 65.1 | Low | 56.3 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 150.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | S100 | S100-G102 PolarHBondContact O-N 3.45Š|
| 103 | P | 72.2 | Confident | 57.2 | Low | 119 Ų | 119 | 118.9 Ų | 118.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 149.2 | 178.1 | 27.2 | -34.9 | 0 | 0 | 0 | 111.1 | G105 | P103-G105 PolarHBondContact O-N 2.97Š|
| 104 | P | 74.8 | Confident | 58.5 | Low | 126 Ų | 126 | 117.5 Ų | 117.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53 | 138.9 | 173.4 | -26.1 | 35 | 0 | 0 | 0 | 111.8 | ||
| 105 | G | 66.6 | Low | 59 | Low | 65 Ų | 65 | 118.9 Ų | 118.9 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | P103 | P103-G105 PolarHBondContact O-N 2.97Š|
| 106 | P | 67.9 | Low | 59.6 | Low | 129 Ų | 129 | 116.5 Ų | 116.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 140.2 | -178.7 | 26 | -34.6 | 0 | 0 | 0 | 111 | G108 | P106-G108 PolarHBondContact O-N 3.43Š|
| 107 | Q | 74.5 | Confident | 59.9 | Low | 192 Ų | 192 | 115.9 Ų | 115.9 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130.9 | 176.6 | -172.7 | 174.3 | 8.7 | 0 | 0 | 110.1 | ||
| 108 | G | 63.6 | Low | 60.1 | Low | 56 Ų | 56 | 116.3 Ų | 116.3 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P106 | P106-G108 PolarHBondContact O-N 3.43Š|
| 109 | P | 63.1 | Low | 60.5 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.5 | -177.7 | 26.3 | -34.8 | 0 | 0 | 0 | 111.3 | G111 | P109-G111 PolarHBondContact O-N 2.89Š|
| 110 | P | 71.6 | Confident | 60.3 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 139.1 | 175 | -26.4 | 34.9 | 0 | 0 | 0 | 112.1 | L112 | P110-L112 PolarHBondContact O-N 3.48Š|
| 111 | G | 57.4 | Low | 59.6 | Low | 74 Ų | 74 | 121.7 Ų | 121.7 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | P109 | P109-G111 PolarHBondContact O-N 2.89Š|
| 112 | L | 50.6 | Low | 58.8 | Low | 165 Ų | 165 | 125.5 Ų | 125.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 135.8 | 179.9 | -69.8 | 171.8 | 0 | 0 | 0 | 110.6 | P110 G114 | P110-L112 PolarHBondContact O-N 3.48Å; L112-G114 PolarHBondContact O-N 2.78Å |
| 113 | P | 63.4 | Low | 57.9 | Low | 120 Ų | 120 | 125.7 Ų | 125.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 133.6 | 175.7 | -27.6 | 35.3 | 0 | 0 | 0 | 112 | K115 | P113-K115 PolarHBondContact O-N 2.7Š|
| 114 | G | 50.9 | Low | 56.7 | Low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 126.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | L112 T116 | L112-G114 PolarHBondContact O-N 2.78Å; G114-T116 PolarHBondContact O-N 3.06Å |
| 115 | K | 46.4 | Very low | 55.5 | Low | 204 Ų | 204 | 129.1 Ų | 129.1 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 122.5 | -179.9 | -65.8 | -177.5 | -179.4 | 179.3 | 0 | 109.5 | P113 G117 | P113-K115 PolarHBondContact O-N 2.7Å; K115-G117 PolarHBondContact O-N 2.84Å |
| 116 | T | 55.3 | Low | 54.4 | Low | 141 Ų | 141 | 129.2 Ų | 129.2 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 125.3 | 172.8 | -48.6 | 0 | 0 | 0 | 0 | 109.6 | G114 | G114-T116 PolarHBondContact O-N 3.06Š|
| 117 | G | 46.8 | Very low | 53.6 | Low | 57 Ų | 57 | 132.3 Ų | 132.3 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 147.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K115 K119 | K115-G117 PolarHBondContact O-N 2.84Å; G117-K119 PolarHBondContact O-N 3.19Å |
| 118 | P | 47.9 | Very low | 53.1 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.7 | 178.9 | 25.8 | -33.9 | 0 | 0 | 0 | 110.2 | G120 | P118-G120 PolarHBondContact O-N 3.19Å; P118-G120 VanDerWaalsContact O-N 3.1Å |
| 119 | K | 53 | Low | 52.6 | Low | 202 Ų | 202 | 130.2 Ų | 130.2 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -61.1 | 115.3 | 174.7 | -178.1 | 179.1 | -179.2 | 178.2 | 0 | 108.5 | G117 E121 | G117-K119 PolarHBondContact O-N 3.19Å; K119-E121 PolarHBondContact O-N 2.95Å | ||
| 120 | G | 46.3 | Very low | 52.1 | Low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -50.1 | 132 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P118 | P118-G120 PolarHBondContact O-N 3.19Å; P118-G120 VanDerWaalsContact O-N 3.1Å | ||
| 121 | E | 46.3 | Very low | 51.6 | Low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -65.9 | 140.9 | -177 | -62.7 | -169.5 | 140.5 | 0 | 0 | 111.3 | K119 G123 | K119-E121 PolarHBondContact O-N 2.95Å; E121-G123 PolarHBondContact O-N 2.82Å; E121-G123 VanDerWaalsContact O-N 3.1Å | ||
| 122 | K | 51.2 | Low | 51.6 | Low | 207 Ų | 207 | 139.5 Ų | 139.5 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | trans | -73.9 | 103.7 | 175.4 | -177.3 | -178.5 | 174.3 | -178.6 | 0 | 108.2 | ||||
| 123 | G | 46.5 | Very low | 51.8 | Low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 137.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E121 | E121-G123 PolarHBondContact O-N 2.82Å; E121-G123 VanDerWaalsContact O-N 3.1Å |
| 124 | E | 45.9 | Very low | 52.1 | Low | 149 Ų | 149 | 143.4 Ų | 143.4 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 139.8 | -179.5 | -71.8 | -155.1 | 150.3 | 0 | 0 | 111.5 | G126 R127 | E124-G126 PolarHBondContact O-N 2.86Å; E124-R127 IonicContact OE1-NH2 3.44Å; E124-R127 PolarHBondContact OE1-NH2 2.83Å; E124-R127 IonicContact OE2-CZ 2.7Å; E124-R127 IonicContact OE2-NE 2.84Å; E124-R127 PolarHBondContact OE2-NE 2.87Å; E124-R127 IonicContact OE2-NH2 3.11Å; E124-R127 PolarHBondContact OE2-NH2 2.91Å; E124-R127 VanDerWaalsContact OE2-NH2 3.11Å |
| 125 | L | 49.3 | Very low | 52.6 | Low | 168 Ų | 168 | 142.9 Ų | 142.9 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 117 | 168.5 | -177.2 | 67.1 | 0 | 0 | 0 | 108.9 | R127 | L125-R127 PolarHBondContact O-N 2.88Š|
| 126 | G | 44.7 | Very low | 53.2 | Low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 120.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E124 | E124-G126 PolarHBondContact O-N 2.86Š|
| 127 | R | 50.8 | Low | 53.8 | Low | 194 Ų | 194 | 138.3 Ų | 138.3 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131.1 | -174.7 | -59.5 | -178.4 | -169.5 | -159.4 | -0.5 | 110.2 | E124 L125 G129 | E124-R127 IonicContact OE1-NH2 3.44Å; E124-R127 PolarHBondContact OE1-NH2 2.83Å; E124-R127 IonicContact OE2-CZ 2.7Å; E124-R127 IonicContact OE2-NE 2.84Å; E124-R127 PolarHBondContact OE2-NE 2.87Å; E124-R127 IonicContact OE2-NH2 3.11Å; E124-R127 PolarHBondContact OE2-NH2 2.91Å; E124-R127 VanDerWaalsContact OE2-NH2 3.11Å; L125-R127 PolarHBondContact O-N 2.88Å; R127-G129 PolarHBondContact O-N 3.35Å |
| 128 | P | 64.2 | Low | 54.5 | Low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.4 | 177.5 | -28.3 | 35.5 | 0 | 0 | 0 | 112.3 | R130 | P128-R130 PolarHBondContact O-N 2.88Š|
| 129 | G | 53.9 | Low | 55 | Low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 130.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R127 K131 | R127-G129 PolarHBondContact O-N 3.35Å; G129-K131 PolarHBondContact O-N 2.92Å |
| 130 | R | 52 | Low | 55.5 | Low | 247 Ų | 247 | 135.7 Ų | 135.7 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122.5 | 177.5 | -78.7 | -177.3 | 165.9 | -177 | -4.5 | 110 | P128 G132 | P128-R130 PolarHBondContact O-N 2.88Å; R130-G132 PolarHBondContact O-N 2.87Å |
| 131 | K | 61.8 | Low | 56.1 | Low | 206 Ų | 206 | 135.9 Ų | 135.9 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 127.4 | 172.4 | -170.8 | 177.8 | -177.6 | -179 | 0 | 109.4 | G129 | G129-K131 PolarHBondContact O-N 2.92Š|
| 132 | G | 55.8 | Low | 56.3 | Low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 144.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R130 | R130-G132 PolarHBondContact O-N 2.87Š|
| 133 | R | 56 | Low | 56.8 | Low | 240 Ų | 240 | 131.4 Ų | 131.4 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142.8 | 172.7 | -65.1 | -174.2 | 179.2 | -160.9 | 0.2 | 109.1 | ||
| 134 | P | 68.3 | Low | 57.5 | Low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 141.6 | 166.7 | -23.2 | 34 | 0 | 0 | 0 | 110.5 | ||
| 135 | G | 62.1 | Low | 57.9 | Low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 154.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 136 | P | 59.8 | Low | 58.2 | Low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61 | 150.2 | 173.7 | 28 | -34.7 | 0 | 0 | 0 | 110.6 | G138 | P136-G138 PolarHBondContact O-N 3Š|
| 137 | P | 67.3 | Low | 58.6 | Low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 137.6 | 171 | -23.9 | 34.4 | 0 | 0 | 0 | 111.1 | ||
| 138 | G | 61.4 | Low | 58.5 | Low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 136.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | P136 | P136-G138 PolarHBondContact O-N 3Š|
| 139 | V | 57.8 | Low | 58.1 | Low | 135 Ų | 135 | 132.1 Ų | 132.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 140.7 | 175.6 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | G141 | V139-G141 PolarHBondContact O-N 3.38Š|
| 140 | P | 63.4 | Low | 58 | Low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 132.8 | 173.3 | -24.7 | 34.7 | 0 | 0 | 0 | 111.2 | M142 | P140-M142 PolarHBondContact O-N 2.75Š|
| 141 | G | 60.3 | Low | 57.9 | Low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V139 | V139-G141 PolarHBondContact O-N 3.38Š|
| 142 | M | 50.8 | Low | 57.3 | Low | 178 Ų | 178 | 125.7 Ų | 125.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142.9 | 174.7 | -67.9 | 177.5 | 66.6 | 0 | 0 | 110.5 | P140 G144 | P140-M142 PolarHBondContact O-N 2.75Å; M142-G144 PolarHBondContact O-N 3.21Å |
| 143 | P | 61.6 | Low | 56.7 | Low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133.9 | 171.3 | -24.3 | 34.5 | 0 | 0 | 0 | 111.3 | ||
| 144 | G | 60.8 | Low | 56.1 | Low | 65 Ų | 65 | 120.5 Ų | 120.5 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 146.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M142 | M142-G144 PolarHBondContact O-N 3.21Š|
| 145 | P | 54.8 | Low | 54.8 | Low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.7 | 176.5 | 28.5 | -34.9 | 0 | 0 | 0 | 111.3 | G147 | P145-G147 PolarHBondContact O-N 3.19Š|
| 146 | I | 55.8 | Low | 54.1 | Low | 164 Ų | 164 | 126.8 Ų | 126.8 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 126.3 | 177.9 | -63.4 | 170.9 | 0 | 0 | 0 | 109.2 | ||
| 147 | G | 52.5 | Low | 53.3 | Low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 140.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P145 | P145-G147 PolarHBondContact O-N 3.19Š|
| 148 | W | 48.3 | Very low | 52 | Low | 242 Ų | 242 | 133.6 Ų | 133.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 147.8 | 174.6 | -68.7 | 76.5 | 0 | 0 | 0 | 111.1 | G150 | W148-G150 PolarHBondContact O-N 2.88Š|
| 149 | P | 56.7 | Low | 51.2 | Low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 130.7 | 173.2 | -22.9 | 34.1 | 0 | 0 | 0 | 111.8 | ||
| 150 | G | 50.2 | Low | 50.3 | Low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 147.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W148 | W148-G150 PolarHBondContact O-N 2.88Š|
| 151 | P | 50 | Low | 49 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 159.8 | 173.7 | 31 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 152 | E | 49.2 | Very low | 48.2 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.3 | -176.6 | -165.3 | 167.9 | -164.7 | 0 | 0 | 112.7 | ||
| 153 | G | 44.4 | Very low | 47.4 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 135.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 154 | P | 42.3 | Very low | 46.2 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 170.3 | 169.8 | 32.3 | -34 | 0 | 0 | 0 | 113.3 | ||
| 155 | R | 42.2 | Very low | 45.7 | Very low | 246 Ų | 246 | 140.9 Ų | 140.9 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134 | -167.7 | -162 | 177.6 | -166.3 | 163.6 | 2 | 113.3 | ||
| 156 | G | 47.3 | Very low | 44.9 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 147.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 157 | E | 43 | Very low | 44.8 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | trans | -108.9 | 177.2 | 173.5 | -68.1 | -157.4 | 117.9 | 0 | 0 | 112.9 | ||||
| 158 | K | 39.4 | Very low | 44.4 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 84% | 0.837 | S | S | * | * | trans | -89.2 | 128.8 | -165.6 | -176.5 | -169.4 | 175.9 | -158.5 | 0 | 111.3 | ||||
| 159 | G | 44.5 | Very low | 44.2 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | trans | -80.9 | 146.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 160 | D | 38.2 | Very low | 43.8 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | trans | -116.8 | 168.9 | 171.9 | -86 | -47.5 | 0 | 0 | 0 | 111.9 | ||||
| 161 | L | 36.8 | Very low | 43.7 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -80.2 | 145.3 | -165.5 | -72.3 | 119.7 | 0 | 0 | 0 | 114.8 | ||||
| 162 | G | 44.7 | Very low | 44 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -89.8 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 163 | M | 32.9 | Very low | 43.7 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 96% | 0.961 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 167.1 | 179.3 | -70.6 | -166.6 | -71.3 | 0 | 0 | 113.8 | ||
| 164 | M | 37.2 | Very low | 43.6 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 95% | 0.946 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 143.6 | -177.1 | -94.5 | 169.6 | -82.5 | 0 | 0 | 115.7 | ||
| 165 | G | 48.5 | Very low | 43.9 | Very low | 71 Ų | 71 | 140.8 Ų | 140.8 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 152.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 166 | L | 39.1 | Very low | 44 | Very low | 178 Ų | 178 | 138 Ų | 138 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 149.6 | 173.8 | -76.6 | 161 | 0 | 0 | 0 | 111.7 | ||
| 167 | P | 53 | Low | 43.7 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 131.7 | -158.8 | -8 | 28.5 | 0 | 0 | 0 | 115.9 | ||
| 168 | G | 45.2 | Very low | 43.6 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 26 | 114.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 169 | S | 42.8 | Very low | 43.9 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 147.7 | 156.8 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 170 | R | 48.4 | Very low | 44 | Very low | 242 Ų | 242 | 135.3 Ų | 135.3 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79 | 123.5 | -173.7 | -177.3 | 175.3 | -180 | 158.2 | -1.7 | 111.6 | ||
| 171 | G | 48.7 | Very low | 44.2 | Very low | 58 Ų | 58 | 133.7 Ų | 133.7 | 60% | 0.598 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 153.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 172 | P | 56.6 | Low | 44.5 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 142.8 | 178.7 | 29.4 | -34.9 | 0 | 0 | 0 | 112.1 | ||
| 173 | M | 42.3 | Very low | 44.5 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77 | 138.4 | 172.2 | -166.2 | 172 | -72.6 | 0 | 0 | 110.1 | ||
| 174 | G | 43.4 | Very low | 44.9 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 156.1 | -162.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 175 | S | 46.9 | Very low | 45.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 144.8 | 173.1 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 176 | K | 44.8 | Very low | 45 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 126 | 177.8 | -164.6 | 175.8 | -174.9 | 178.9 | 0 | 109.9 | ||
| 177 | G | 42.1 | Very low | 44.9 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 149.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 178 | Y | 40.8 | Very low | 44.3 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | -132.9 | 167.4 | 172.9 | -84.4 | -77.1 | 0 | 0 | 0 | 109.4 | ||||
| 179 | P | 45.1 | Very low | 44.6 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -64.7 | 144.8 | -147.1 | -26.5 | 35.1 | 0 | 0 | 0 | 116.2 | S181 | P179-S181 PolarHBondContact O-N 3.46Å; P179-S181 VanDerWaalsContact O-N 3.12Å | ||
| 180 | G | 47.3 | Very low | 44.7 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -66.2 | 108 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 181 | S | 42.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 144.4 | 164.6 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | P179 G183 | P179-S181 PolarHBondContact O-N 3.46Å; P179-S181 VanDerWaalsContact O-N 3.12Å; S181-G183 PolarHBondContact O-N 3.06Å |
| 182 | R | 43.6 | Very low | 44.3 | Very low | 242 Ų | 242 | 140.6 Ų | 140.6 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 121 | 178.3 | -174.4 | -177.2 | -165.6 | 163.8 | 2.1 | 110.7 | E184 | R182-E184 PolarHBondContact O-N 2.74Š|
| 183 | G | 44 | Very low | 43.9 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S181 | S181-G183 PolarHBondContact O-N 3.06Š|
| 184 | E | 41 | Very low | 43.8 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 157.7 | 169 | -77.1 | -161 | 111.9 | 0 | 0 | 111.9 | R182 | R182-E184 PolarHBondContact O-N 2.74Š|
| 185 | K | 42.5 | Very low | 44.1 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.3 | -173.6 | -175.9 | 177.6 | -178 | 179.9 | 0 | 109.9 | S187 | K185-S187 PolarHBondContact O-N 3.34Š|
| 186 | G | 44.7 | Very low | 44.2 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -53 | 134.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 187 | S | 38.5 | Very low | 44.3 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140.9 | 170.7 | 41.6 | 0 | 0 | 0 | 0 | 110.1 | K185 | K185-S187 PolarHBondContact O-N 3.34Š|
| 188 | R | 39.4 | Very low | 44.5 | Very low | 241 Ų | 241 | 141 Ų | 141 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 137.3 | -174.7 | -173.1 | -178.4 | 174 | 161.7 | -1.3 | 110.2 | ||
| 189 | G | 50.8 | Low | 44.4 | Very low | 62 Ų | 62 | 139 Ų | 139 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | trans | -65.2 | -178.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 190 | E | 44.4 | Very low | 44.4 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -64 | 167.4 | -166.9 | -63.4 | -179.2 | 119.8 | 0 | 0 | 115.3 | G192 | E190-G192 PolarHBondContact O-N 3.16Å; E190-G192 VanDerWaalsContact O-N 3.08Å | ||
| 191 | K | 40.6 | Very low | 43.9 | Very low | 193 Ų | 193 | 142 Ų | 142 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -71.9 | 96 | -175.3 | -179.2 | -164.7 | 173.6 | -166.5 | 0 | 111.2 | ||||
| 192 | G | 49.8 | Very low | 43.9 | Very low | 60 Ų | 60 | 146 Ų | 146 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | trans | -70.5 | 156.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E190 | E190-G192 PolarHBondContact O-N 3.16Å; E190-G192 VanDerWaalsContact O-N 3.08Å | ||
| 193 | D | 47.7 | Very low | 44.4 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -70.8 | 168.9 | -174.5 | -68 | -64.4 | 0 | 0 | 0 | 115.3 | G195 | D193-G195 PolarHBondContact O-N 3.21Å; D193-G195 VanDerWaalsContact O-N 3.15Å | ||
| 194 | L | 39.9 | Very low | 44.1 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 103 | -174.3 | -117.9 | 75.1 | 0 | 0 | 0 | 112.6 | ||||
| 195 | G | 50.8 | Low | 44.2 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82 | 140.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D193 | D193-G195 PolarHBondContact O-N 3.21Å; D193-G195 VanDerWaalsContact O-N 3.15Å |
| 196 | P | 48.1 | Very low | 45 | Very low | 135 Ų | 135 | 136 Ų | 136 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71 | 165.6 | -179.7 | 27.8 | -33.8 | 0 | 0 | 0 | 114.2 | ||
| 197 | K | 47.6 | Very low | 44.7 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137.6 | -163.2 | -178.5 | -169.7 | 170.8 | -154.2 | 0 | 115.3 | E199 | K197-E199 WeakPolarHBondContact CE-OE1 3.39Å; K197-E199 IonicContact NZ-OE1 2.62Å; K197-E199 PolarHBondContact NZ-OE1 3.49Å |
| 198 | G | 45.1 | Very low | 44.6 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -129.6 | 161.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 199 | E | 39.5 | Very low | 44.9 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -104.3 | -169.6 | -163 | -56.6 | -150.4 | 133.7 | 0 | 0 | 116.2 | K197 | K197-E199 WeakPolarHBondContact CE-OE1 3.39Å; K197-E199 IonicContact NZ-OE1 2.62Å; K197-E199 PolarHBondContact NZ-OE1 3.49Å | ||
| 200 | K | 44.3 | Very low | 44.6 | Very low | 201 Ų | 201 | 135.3 Ų | 135.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -106.1 | 133.9 | -149 | 177.8 | -173.7 | 178.6 | -174.8 | 0 | 113.9 | ||||
| 201 | G | 38.2 | Very low | 44.2 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -159 | 138.5 | 169 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 202 | F | 40.4 | Very low | 44.2 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -155.8 | 167.1 | -179 | -86 | -79.1 | 0 | 0 | 0 | 107.7 | ||||
| 203 | P | 54.7 | Low | 43.9 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -129.5 | -172.7 | -21.9 | 38.4 | -21.6 | 0 | 0 | 0 | 112.8 | ||||
| 204 | G | 37.4 | Very low | 43.8 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -157.7 | 136.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 205 | F | 44.3 | Very low | 43.8 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -137.4 | -176.6 | 179 | -76 | -81 | 0 | 0 | 0 | 108.4 | ||||
| 206 | P | 58.4 | Low | 43.4 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | -131.6 | 175.4 | -62.9 | 39.8 | -25.2 | 0 | 0 | 0 | 112.9 | |||||
| 207 | G | 38.5 | Very low | 43.8 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 151.9 | 156.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 208 | M | 35.8 | Very low | 43.6 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | cis | -152.7 | 152.9 | -15.4 | -118 | -178.3 | 71.2 | 0 | 0 | 109.1 | ||||
| 209 | L | 46.4 | Very low | 43.4 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -76.9 | 139.4 | 166.5 | -169.7 | 74.3 | 0 | 0 | 0 | 107.8 | ||||
| 210 | G | 44 | Very low | 44 | Very low | 53 Ų | 53 | 141.8 Ų | 141.8 | 55% | 0.546 | 82% | 0.817 | S | S | . | * | cis | 142.8 | 167.5 | 8.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 211 | Q | 37.3 | Very low | 44 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -176.8 | 136.4 | 154.3 | -111.1 | 177.4 | 82.8 | 0 | 0 | 117.7 | ||||
| 212 | K | 40.3 | Very low | 44 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | 42.6 | 95.3 | 128.2 | -165.4 | -178.6 | 178.9 | -175.7 | 0 | 121 | |||||
| 213 | G | 43.2 | Very low | 44.5 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | 67.8 | 115.2 | 114.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 214 | E | 46.1 | Very low | 43.8 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | trans | -94.2 | 159.6 | 172.9 | -62.7 | -170.7 | 133.6 | 0 | 0 | 113.4 | ||||
| 215 | M | 39.4 | Very low | 44 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 95% | 0.946 | 82% | 0.823 | S | S | * | * | trans | -117.8 | 169.4 | -178.6 | -171.4 | 156.4 | 56.7 | 0 | 0 | 110.4 | ||||
| 216 | G | 43.3 | Very low | 44.4 | Very low | 61 Ų | 61 | 137.7 Ų | 137.7 | 63% | 0.629 | 83% | 0.828 | S | S | * | * | trans | -56.5 | 163.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 217 | P | 55.3 | Low | 43.7 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | trans | -70.6 | 151 | -162.3 | 28.8 | -36.9 | 0 | 0 | 0 | 114.6 | ||||
| 218 | K | 44.4 | Very low | 44.2 | Very low | 211 Ų | 211 | 143.2 Ų | 143.2 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | trans | -110.6 | 141.5 | 169.7 | -165.1 | 174.3 | -178.6 | -179.2 | 0 | 109.3 | ||||
| 219 | G | 40.1 | Very low | 44.7 | Very low | 69 Ų | 69 | 140.8 Ų | 140.8 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -73.8 | 171.3 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 220 | E | 51.4 | Low | 45 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | trans | -64.9 | 131.2 | -176.3 | -54.5 | 177.4 | 143.3 | 0 | 0 | 112.9 | ||||
| 221 | P | 44.8 | Very low | 45 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | -143.5 | 160.2 | 111.5 | 37.4 | -24.4 | 0 | 0 | 0 | 112.7 | |||||
| 222 | G | 38.5 | Very low | 45.3 | Very low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | cis | -167.5 | 178.9 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 223 | I | 50.9 | Low | 46.5 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -91.5 | 110.7 | -164.7 | -53.4 | 172.2 | 0 | 0 | 0 | 113.7 | ||||
| 224 | A | 40.9 | Very low | 46.7 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | -167.3 | 138.4 | 149 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 225 | G | 41 | Very low | 46.4 | Very low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | cis | -159.4 | 172.9 | -5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 226 | H | 52.8 | Low | 47.2 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | trans | -68.3 | 134.8 | -169.9 | -61.2 | -79.2 | 0 | 0 | 0 | 114.2 | ||||
| 227 | R | 44.2 | Very low | 47.4 | Very low | 248 Ų | 248 | 142.9 Ų | 142.9 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | -145 | 104.4 | 168.2 | -170.1 | 175.3 | -174.3 | 168.5 | 2.8 | 113.1 | ||||
| 228 | G | 47.7 | Very low | 46.9 | Very low | 65 Ų | 65 | 146.5 Ų | 146.5 | 67% | 0.67 | 84% | 0.841 | S | S | * | * | trans | 76.4 | 116.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 229 | P | 47.6 | Very low | 47 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 87% | 0.87 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 140 | 164.3 | 29.8 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 230 | T | 52.3 | Low | 47.2 | Very low | 140 Ų | 140 | 146 Ų | 146 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -55 | 138.3 | -179.9 | -50.2 | 0 | 0 | 0 | 0 | 112 | R232 | T230-R232 PolarHBondContact O-N 3.09Š|
| 231 | G | 44.2 | Very low | 47.1 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 135.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 232 | R | 43.9 | Very low | 47.3 | Very low | 240 Ų | 240 | 150 Ų | 150 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -65 | 135.6 | 179.3 | -67.3 | 176.7 | 175.3 | 169.2 | -2.9 | 110.7 | T230 | T230-R232 PolarHBondContact O-N 3.09Š|
| 233 | P | 63.9 | Low | 47.7 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 150.2 | 167 | -26.4 | 35.5 | 0 | 0 | 0 | 112.6 | ||
| 234 | G | 48 | Very low | 47.7 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 142.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R236 | G234-R236 PolarHBondContact O-N 2.89Š|
| 235 | K | 40.6 | Very low | 48.1 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123 | -179.7 | -63.3 | 173 | -177.7 | 171 | 0 | 110.5 | ||
| 236 | R | 56 | Low | 48.5 | Very low | 242 Ų | 242 | 150.5 Ų | 150.5 | 91% | 0.913 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 144.6 | 161.3 | -158.7 | 174.5 | -168.3 | 176.9 | 3.6 | 109.1 | G234 | G234-R236 PolarHBondContact O-N 2.89Š|
| 237 | G | 47.1 | Very low | 48.3 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 147.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 238 | K | 44.8 | Very low | 48.6 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 93% | 0.926 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 141.5 | 179.8 | -67 | -174.3 | 176.2 | -172.7 | 0 | 111.8 | ||
| 239 | Q | 46.8 | Very low | 49.2 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -149.6 | 136.8 | 149.4 | -170.3 | 173.3 | 8.6 | 0 | 0 | 109.7 | ||||
| 240 | G | 43.3 | Very low | 49.7 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | 69 | 111.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 241 | Q | 49.8 | Very low | 50.1 | Low | 206 Ų | 206 | 142.3 Ų | 142.3 | 96% | 0.963 | 83% | 0.83 | S | S | * | * | trans | -86.5 | 145.3 | 154.8 | -78.7 | 179.1 | -49 | 0 | 0 | 109.8 | ||||
| 242 | K | 49.4 | Very low | 50.7 | Low | 207 Ų | 207 | 142.5 Ų | 142.5 | 90% | 0.9 | 83% | 0.831 | S | S | * | * | trans | -130.8 | 140.1 | 152.1 | -169 | 173.7 | -178.9 | -179.3 | 0 | 106.6 | ||||
| 243 | G | 47.3 | Very low | 51.2 | Low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | trans | -63.6 | 156.9 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 244 | D | 49.8 | Very low | 51 | Low | 165 Ų | 165 | 140.7 Ų | 140.7 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -68.3 | 141.6 | -175.8 | -55.1 | -82.3 | 0 | 0 | 0 | 113.5 | ||||
| 245 | S | 49.9 | Very low | 51.5 | Low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -109.6 | 135 | 159.5 | -70.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 246 | G | 49.5 | Very low | 52.2 | Low | 79 Ų | 79 | 136.2 Ų | 136.2 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -59.6 | 143.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M248 | G246-M248 PolarHBondContact O-N 2.93Å; G246-M248 VanDerWaalsContact O-N 3.16Å | ||
| 247 | V | 48.7 | Very low | 52.2 | Low | 144 Ų | 144 | 130.5 Ų | 130.5 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | trans | -69.5 | 108.1 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | G249 | V247-G249 PolarHBondContact O-N 2.82Š| ||
| 248 | M | 50.6 | Low | 52.6 | Low | 178 Ų | 178 | 129.9 Ų | 129.9 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 124.4 | 164.6 | -173.8 | 167.6 | 62.5 | 0 | 0 | 108.7 | G246 | G246-M248 PolarHBondContact O-N 2.93Å; G246-M248 VanDerWaalsContact O-N 3.16Å |
| 249 | G | 60.1 | Low | 53 | Low | 48 Ų | 48 | 128.8 Ų | 128.8 | 50% | 0.495 | 81% | 0.809 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 152.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V247 | V247-G249 PolarHBondContact O-N 2.82Š|
| 250 | P | 58.1 | Low | 53.9 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 134 | 177.7 | 26.2 | -34 | 0 | 0 | 0 | 110.3 | G252 | P250-G252 PolarHBondContact O-N 2.88Š|
| 251 | P | 59.5 | Low | 54.5 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -53 | 137.6 | 176.3 | -28.5 | 35.8 | 0 | 0 | 0 | 112.1 | ||
| 252 | G | 57.6 | Low | 54.8 | Low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P250 | P250-G252 PolarHBondContact O-N 2.88Š|
| 253 | K | 53.7 | Low | 55.4 | Low | 200 Ų | 200 | 123 Ų | 123 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 130.7 | 175 | -68.1 | -179.1 | 178.9 | 179.1 | 0 | 109.1 | G255 | K253-G255 PolarHBondContact O-N 3.24Š|
| 254 | P | 60.9 | Low | 56 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 132.7 | 172.7 | -27.7 | 35.5 | 0 | 0 | 0 | 110.8 | ||
| 255 | G | 58.2 | Low | 56.2 | Low | 61 Ų | 61 | 120.8 Ų | 120.8 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 151.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K253 S257 | K253-G255 PolarHBondContact O-N 3.24Å; G255-S257 PolarHBondContact O-N 3.31Å |
| 256 | P | 55.7 | Low | 56.9 | Low | 134 Ų | 134 | 121.2 Ų | 121.2 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 131.1 | 173.7 | 26.8 | -33.8 | 0 | 0 | 0 | 109.4 | G258 | P256-G258 PolarHBondContact O-N 2.69Š|
| 257 | S | 56.3 | Low | 57.2 | Low | 122 Ų | 122 | 120.6 Ų | 120.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.1 | 178.2 | -164.1 | 0 | 0 | 0 | 0 | 110.1 | G255 | G255-S257 PolarHBondContact O-N 3.31Š|
| 258 | G | 55.7 | Low | 57.3 | Low | 63 Ų | 63 | 119.7 Ų | 119.7 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P256 | P256-G258 PolarHBondContact O-N 2.69Š|
| 259 | Q | 52.7 | Low | 57.4 | Low | 189 Ų | 189 | 117.6 Ų | 117.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.6 | 172.9 | -66.1 | -175.3 | 8.5 | 0 | 0 | 109.2 | G261 | Q259-G261 PolarHBondContact O-N 2.89Š|
| 260 | P | 64.3 | Low | 56.7 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 133.5 | 175.7 | -27.8 | 35.7 | 0 | 0 | 0 | 111.5 | R262 | P260-R262 PolarHBondContact O-N 3.46Š|
| 261 | G | 56.1 | Low | 56.2 | Low | 71 Ų | 71 | 118.8 Ų | 118.8 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q259 | Q259-G261 PolarHBondContact O-N 2.89Š|
| 262 | R | 56.2 | Low | 56 | Low | 241 Ų | 241 | 119 Ų | 119 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.9 | 175.2 | -66.7 | -174.2 | 178 | -148.8 | -0.9 | 109.2 | P260 G264 | P260-R262 PolarHBondContact O-N 3.46Å; R262-G264 PolarHBondContact O-N 3.17Å |
| 263 | P | 63.4 | Low | 55.3 | Low | 127 Ų | 127 | 121.2 Ų | 121.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 137.5 | 174.7 | -27 | 35.3 | 0 | 0 | 0 | 111.7 | ||
| 264 | G | 58.1 | Low | 54.9 | Low | 63 Ų | 63 | 116.8 Ų | 116.8 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 155 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R262 | R262-G264 PolarHBondContact O-N 3.17Š|
| 265 | P | 55.9 | Low | 54.1 | Low | 125 Ų | 125 | 114.4 Ų | 114.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.4 | 174.3 | 27.8 | -34.4 | 0 | 0 | 0 | 110.7 | ||
| 266 | P | 64.1 | Low | 53.3 | Low | 130 Ų | 130 | 120.9 Ų | 120.9 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 139.6 | 177.1 | -25.3 | 34.8 | 0 | 0 | 0 | 112.7 | ||
| 267 | G | 54.5 | Low | 52.7 | Low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 155.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 268 | P | 51.1 | Low | 52.1 | Low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 150.1 | 178.5 | 28.8 | -34.9 | 0 | 0 | 0 | 112 | ||
| 269 | P | 53.7 | Low | 51.5 | Low | 134 Ų | 134 | 130.5 Ų | 130.5 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 137.6 | -179.5 | -21.9 | 33.7 | 0 | 0 | 0 | 113.6 | ||
| 270 | G | 45.6 | Very low | 51.7 | Low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 150.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 271 | P | 47.3 | Very low | 51.4 | Low | 130 Ų | 130 | 124 Ų | 124 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 158.1 | 175.1 | 31.6 | -35.2 | 0 | 0 | 0 | 112.4 | ||
| 272 | P | 54.4 | Low | 51.2 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 133.4 | -162.8 | 35.2 | -34.3 | 0 | 0 | 0 | 115.4 | ||
| 273 | S | 43.7 | Very low | 51.1 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -163.7 | 138.2 | 150.5 | 59.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 274 | A | 44.6 | Very low | 50.9 | Low | 107 Ų | 107 | 124.9 Ų | 124.9 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | 59.7 | 91.5 | 157 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 275 | G | 44.6 | Very low | 50.8 | Low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | 96.2 | 90.4 | 123.3 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 276 | Q | 40.9 | Very low | 50.3 | Low | 198 Ų | 198 | 130.4 Ų | 130.4 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | -159.8 | 166.1 | 128.4 | -115.8 | 172.4 | -9.2 | 0 | 0 | 111.7 | |||||
| 277 | L | 43.3 | Very low | 49.6 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -79.7 | 126.2 | -163.3 | -65 | 165.5 | 0 | 0 | 0 | 113 | ||||
| 278 | I | 43.5 | Very low | 49.4 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -93.1 | 107.5 | 163 | -62 | 175.9 | 0 | 0 | 0 | 107.7 | G280 | I278-G280 PolarHBondContact O-N 3.39Å; I278-G280 VanDerWaalsContact O-N 3.17Å | ||
| 279 | M | 44.4 | Very low | 48.8 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -66.5 | 110.3 | 167.2 | -179.5 | 178.8 | 175.9 | 0 | 0 | 108.7 | ||||
| 280 | G | 55.9 | Low | 48.4 | Very low | 45 Ų | 45 | 132.8 Ų | 132.8 | 46% | 0.464 | 80% | 0.801 | S | S | . | * | P | Polyproline II helix | trans | -64 | 157.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I278 K282 | I278-G280 PolarHBondContact O-N 3.39Å; I278-G280 VanDerWaalsContact O-N 3.17Å; G280-K282 PolarHBondContact O-N 3.04Å |
| 281 | P | 57.3 | Low | 48.2 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133 | 173.1 | 26.1 | -33.9 | 0 | 0 | 0 | 109.9 | G283 | P281-G283 PolarHBondContact O-N 2.88Å; P281-G283 VanDerWaalsContact O-N 3.16Å |
| 282 | K | 53.5 | Low | 47.6 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 121.5 | -178.9 | -177.1 | 170.1 | -176 | 165.3 | 0 | 109.8 | G280 | G280-K282 PolarHBondContact O-N 3.04Š|
| 283 | G | 54 | Low | 47 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 147.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P281 | P281-G283 PolarHBondContact O-N 2.88Å; P281-G283 VanDerWaalsContact O-N 3.16Å |
| 284 | E | 58.6 | Low | 46.3 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.1 | 176.9 | -62.7 | -171.2 | 156.1 | 0 | 0 | 110.7 | G286 | E284-G286 PolarHBondContact O-N 3.22Š|
| 285 | R | 54.9 | Low | 46.1 | Very low | 245 Ų | 245 | 139.9 Ų | 139.9 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 116.7 | -178.3 | -174.5 | -171.7 | -63.3 | -172.5 | -1.1 | 109 | ||
| 286 | G | 45.7 | Very low | 45.8 | Very low | 60 Ų | 60 | 142.1 Ų | 142.1 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 144.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E284 | E284-G286 PolarHBondContact O-N 3.22Š|
| 287 | F | 49.8 | Very low | 45.6 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55 | 144.5 | 176.3 | -67.4 | -80.9 | 0 | 0 | 0 | 110.5 | G289 | F287-G289 PolarHBondContact O-N 3.3Š|
| 288 | P | 50.6 | Low | 45.5 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -51 | 126.9 | 174.8 | -26.1 | 34.6 | 0 | 0 | 0 | 110.5 | ||
| 289 | G | 38.5 | Very low | 45.2 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 148.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F287 | F287-G289 PolarHBondContact O-N 3.3Š|
| 290 | P | 44.9 | Very low | 44.8 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56 | 139.5 | 173.9 | 25.9 | -34.1 | 0 | 0 | 0 | 109.3 | G292 | P290-G292 PolarHBondContact O-N 3.41Š|
| 291 | P | 41.7 | Very low | 43.8 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57 | 125.4 | -173 | 22.1 | -33.3 | 0 | 0 | 0 | 110.7 | R293 | P291-R293 PolarHBondContact O-N 2.94Š|
| 292 | G | 35.5 | Very low | 43 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P290 C294 | P290-G292 PolarHBondContact O-N 3.41Å; G292-C294 PolarHBondContact O-N 2.95Å |
| 293 | R | 40.4 | Very low | 42.1 | Very low | 229 Ų | 229 | 135.1 Ų | 135.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -75.9 | 101.2 | 170.4 | -81.8 | -173 | 167.7 | -163 | -3.4 | 109.2 | P291 L295 | P291-R293 PolarHBondContact O-N 2.94Å; R293-L295 PolarHBondContact O-N 2.8Å | ||
| 294 | C | 30.2 | Very low | 41.2 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -62.8 | 101.4 | 167.4 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | G292 C296 | G292-C294 PolarHBondContact O-N 2.95Å; C294-C296 PolarHBondContact O-N 2.82Å | ||
| 295 | L | 40.4 | Very low | 40.8 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -79.3 | 57.1 | 176.3 | -70.3 | 174.8 | 0 | 0 | 0 | 111.1 | R293 | R293-L295 PolarHBondContact O-N 2.8Š| ||
| 296 | C | 37.8 | Very low | 39.5 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -101.8 | 73.2 | -179.3 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | C294 | C294-C296 PolarHBondContact O-N 2.82Š| ||
| 297 | G | 36 | Very low | 39.5 | Very low | 61 Ų | 61 | 137.7 Ų | 137.7 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 175.5 | 146.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 298 | P | 41.9 | Very low | 39.3 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -69.1 | 158.7 | 177.2 | 30.2 | -35.2 | 0 | 0 | 0 | 111.8 | M300 | P298-M300 PolarHBondContact O-N 3.13Å; P298-M300 VanDerWaalsContact O-N 3.15Å | ||
| 299 | T | 36.5 | Very low | 38.6 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -62.4 | 111.9 | -174.4 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 300 | M | 36.8 | Very low | 38.5 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -90.8 | 131 | 166.8 | -75 | -66.3 | 163.4 | 0 | 0 | 110.6 | P298 | P298-M300 PolarHBondContact O-N 3.13Å; P298-M300 VanDerWaalsContact O-N 3.15Å | ||
| 301 | N | 34.8 | Very low | 38.1 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -83.5 | 147.4 | -175.2 | -146.9 | -5.3 | 0 | 0 | 0 | 110.8 | N303 | N301-N303 PolarHBondContact O-N 3Š| ||
| 302 | V | 41.4 | Very low | 38 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -80.6 | 109.7 | -173.6 | 179.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 303 | N | 34.2 | Very low | 37.7 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -161 | 146.9 | 141.6 | -95.3 | -40.4 | 0 | 0 | 0 | 111.2 | N301 | N301-N303 PolarHBondContact O-N 3Š| ||
| 304 | N | 34.6 | Very low | 37.7 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -91.8 | 161.8 | -169.4 | -173.2 | 58.8 | 0 | 0 | 0 | 111.8 | ||||
| 305 | P | 50.1 | Low | 38.3 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | cis | -124 | 170.4 | -12.8 | 36.9 | -22.4 | 0 | 0 | 0 | 114.6 | ||||
| 306 | S | 26.9 | Very low | 38.1 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -168.2 | 160.8 | 130.8 | -162.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 307 | Y | 47.2 | Very low | 38.3 | Very low | 239 Ų | 239 | 133.3 Ų | 133.3 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -101.2 | 96.4 | 167.9 | -168.4 | -85.3 | 0 | 0 | 0 | 108.1 | ||||
| 308 | G | 44.5 | Very low | 38.9 | Very low | 62 Ų | 62 | 141 Ų | 141 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | 175.4 | 151.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 309 | E | 36.8 | Very low | 39.3 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 51.5 | 85.1 | 157.6 | -59.4 | -170.9 | 114.1 | 0 | 0 | 119.4 | ||||
| 310 | S | 35.3 | Very low | 40.1 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -77.9 | 118.2 | 147.3 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | Y312 | S310-Y312 PolarHBondContact O-N 3.14Š| ||
| 311 | V | 38.1 | Very low | 41.2 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -76.3 | 80.1 | -171.3 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 312 | Y | 38.7 | Very low | 43.3 | Very low | 225 Ų | 225 | 129.4 Ų | 129.4 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -146.6 | 147.2 | 159.8 | -89.9 | -80.3 | 0 | 0 | 0 | 109.8 | S310 | S310-Y312 PolarHBondContact O-N 3.14Š|
| 313 | G | 30.1 | Very low | 45.3 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -65 | 149.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S315 | G313-S315 PolarHBondContact O-N 2.79Š| ||
| 314 | P | 40.2 | Very low | 47.7 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -95.6 | 90.2 | -166.1 | 36.5 | -35.7 | 0 | 0 | 0 | 114.6 | ||
| 315 | S | 41 | Very low | 50.2 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -167.3 | 45.8 | 164.1 | 52.7 | 0 | 0 | 0 | 0 | 116.7 | G313 | G313-S315 PolarHBondContact O-N 2.79Š| ||
| 316 | S | 37 | Very low | 51.7 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | -126 | 104 | 156.1 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | R318 | S316-R318 PolarHBondContact O-N 3.06Š| ||
| 317 | P | 42.8 | Very low | 54.5 | Low | 92 Ų | 92 | 110 Ų | 110 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | trans | -71.1 | 94.5 | 177 | 28.6 | -32 | 0 | 0 | 0 | 108.9 | V319 | P317-V319 PolarHBondContact O-N 3.12Š| ||
| 318 | R | 49 | Very low | 56.3 | Low | 224 Ų | 224 | 101.9 Ų | 101.9 | 85% | 0.845 | 59% | 0.588 | S | S | * | * | trans | -56.7 | 105.4 | 169.9 | -65.1 | -180 | -179.5 | 179.4 | -0.9 | 108.1 | S316 P320 | S316-R318 PolarHBondContact O-N 3.06Å; R318-P320 WeakPolarHBondContact O-CD 3.31Å; R318-P320 WeakPolarHBondContact O-CG 3.43Å; R318-P320 VanDerWaalsContact O-N 3.13Å | ||
| 319 | V | 50.2 | Low | 58.3 | Low | 57 Ų | 57 | 104.1 Ų | 104.1 | 35% | 0.345 | 58% | 0.582 | S | S | . | * | trans | -64.4 | 108.8 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | P317 V321 I340 | P317-V319 PolarHBondContact O-N 3.12Å; V319-V321 PolarHBondContact O-N 2.88Å; V319-I340 HydrophobicContact CG1-CB 4.09Å; V319-I340 HydrophobicContact CG1-CD1 4.02Å; V319-I340 HydrophobicContact CG1-CG1 3.84Å; V319-I340 HydrophobicContact CG2-CD1 4.18Å; V319-I340 HydrophobicContact CG2-CG1 4.38Å | ||
| 320 | P | 53 | Low | 60.6 | Low | 108 Ų | 108 | 98 Ų | 98 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | trans | -77.9 | -27 | -162.8 | -17 | 32.1 | 0 | 0 | 0 | 113.6 | R318 | R318-P320 WeakPolarHBondContact O-CD 3.31Å; R318-P320 WeakPolarHBondContact O-CG 3.43Å; R318-P320 VanDerWaalsContact O-N 3.13Å | ||
| 321 | V | 59.6 | Low | 63 | Low | 75 Ų | 75 | 92.4 Ų | 92.4 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -151 | 141.2 | -172.6 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | V319 F323 | V319-V321 PolarHBondContact O-N 2.88Å; V321-F323 HydrophobicContact CB-CE2 3.96Å; V321-F323 HydrophobicContact CB-CZ 3.97Å; V321-F323 HydrophobicContact CG1-CD1 4.3Å; V321-F323 HydrophobicContact CG1-CD2 4.34Å; V321-F323 HydrophobicContact CG1-CE1 4.07Å; V321-F323 HydrophobicContact CG1-CE2 4.1Å; V321-F323 HydrophobicContact CG1-CG 4.43Å; V321-F323 HydrophobicContact CG1-CZ 3.96Å | ||
| 322 | I | 78.4 | Confident | 65.2 | Low | 110 Ų | 110 | 92 Ų | 92 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.5 | 162.3 | -61.5 | 173.8 | 0 | 0 | 0 | 107.8 | I340 | I322-I340 WeakPolarHBondContact CA-O 3.29Å; I322-I340 HydrophobicContact CG1-CB 4.38Å; I322-I340 HydrophobicContact CG1-CG2 4.39Å; I322-I340 HydrophobicContact CG2-CG2 4.28Å |
| 323 | F | 82.9 | Confident | 67.4 | Low | 58 Ų | 58 | 89.2 Ų | 89.2 | 25% | 0.254 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 153.4 | 176.1 | -63.4 | -86.9 | 0 | 0 | 0 | 110.9 | V321 L334 T336 A339 I340 A341 F342 | V321-F323 HydrophobicContact CB-CE2 3.96Å; V321-F323 HydrophobicContact CB-CZ 3.97Å; V321-F323 HydrophobicContact CG1-CD1 4.3Å; V321-F323 HydrophobicContact CG1-CD2 4.34Å; V321-F323 HydrophobicContact CG1-CE1 4.07Å; V321-F323 HydrophobicContact CG1-CE2 4.1Å; V321-F323 HydrophobicContact CG1-CG 4.43Å; V321-F323 HydrophobicContact CG1-CZ 3.96Å; F323-L334 HydrophobicContact CB-CD1 3.61Å; F323-L334 HydrophobicContact CB-CD2 4.33Å; F323-L334 HydrophobicContact CD1-CD1 4.48Å; F323-L334 HydrophobicContact CD1-CD2 3.68Å; F323-L334 HydrophobicContact CD2-CD1 4.46Å; F323-L334 HydrophobicContact CE1-CD2 4.16Å; F323-L334 HydrophobicContact CG-CD1 3.94Å; F323-L334 HydrophobicContact CG-CD2 3.95Å; F323-T336 HydrophobicContact CE2-CG2 4.22Å; F323-T336 HydrophobicContact CZ-CG2 3.92Å; F323-A339 HydrophobicContact CD2-CB 4.08Å; F323-A339 HydrophobicContact CE2-CB 3.9Å; F323-I340 PolarHBondContact N-O 2.9Å; F323-A341 HydrophobicContact CB-CB 4.09Å; F323-A341 CarbonylContact O-C 3.53Å; F323-A341 VanDerWaalsContact O-CA 3.31Å; F323-A341 WeakPolarHBondContact O-CA 3.48Å; F323-F342 PolarHBondContact O-N 3.02Å |
| 324 | V | 85.5 | Confident | 69.9 | Low | 76 Ų | 76 | 87.3 Ų | 87.3 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.2 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | F342 R344 | V324-F342 HydrophobicContact CG1-CD1 4.4Å; V324-R344 HydrophobicContact CG1-CG 4Å; V324-R344 VanDerWaalsContact CG1-NE 3.31Å |
| 325 | V | 86 | Confident | 71.5 | Confident | 7 Ų | 7 | 88.2 Ų | 88.2 | 4% | 0.042 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 150.4 | -173.8 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | E330 L331 L334 A341 F342 R343 R344 | V325-E330 WeakPolarHBondContact CA-OE2 3.45Å; V325-E330 HydrophobicContact CB-CB 3.79Å; V325-E330 HydrophobicContact CG1-CB 3.82Å; V325-L331 HydrophobicContact CG2-CB 4.17Å; V325-L331 HydrophobicContact CG2-CD1 4.09Å; V325-L334 HydrophobicContact CG1-CD1 3.69Å; V325-L334 HydrophobicContact CG1-CG 4.28Å; V325-A341 HydrophobicContact CG2-CB 4.43Å; V325-F342 WeakPolarHBondContact CG2-O 3.35Å; V325-F342 PolarHBondContact N-O 3.19Å; V325-R343 HydrophobicContact CG2-CG 3.64Å; V325-R343 WeakPolarHBondContact O-CA 3.33Å; V325-R344 PolarHBondContact O-N 3.41Å |
| 326 | N | 81.8 | Confident | 73.2 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -90 | -22.8 | -174 | -53.8 | -63 | 0 | 0 | 0 | 113.2 | E330 R344 D345 | N326-E330 WeakPolarHBondContact CB-OE2 3.47Å; N326-E330 PolarHBondContact N-OE2 2.92Å; N326-E330 VanDerWaalsContact ND2-CD 3.3Å; N326-E330 PolarHBondContact ND2-OE1 2.9Å; N326-E330 PolarHBondContact ND2-OE2 2.81Å; N326-R344 WeakPolarHBondContact OD1-CD 3.48Å; N326-R344 PolarHBondContact OD1-NH1 3.38Å; N326-D345 WeakPolarHBondContact O-CB 3.44Å |
| 327 | N | 85.7 | Confident | 74.8 | Confident | 52 Ų | 52 | 87.9 Ų | 87.9 | 28% | 0.278 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -158.8 | 178.9 | -174.6 | 60.4 | 45 | 0 | 0 | 0 | 112.1 | E329 E330 L331 | N327-E329 WeakPolarHBondContact OD1-CB 3.46Å; N327-E329 PolarHBondContact OD1-N 3.42Å; N327-E330 PolarHBondContact OD1-N 2.83Å; N327-L331 PolarHBondContact O-N 3.12Å |
| 328 | Q | 85.7 | Confident | 75.9 | Confident | 68 Ų | 68 | 86.8 Ų | 86.8 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 177.6 | -178.4 | 64 | 14.7 | 0 | 0 | 113.6 | E330 L331 E332 | Q328-E330 PolarHBondContact O-N 3.47Å; Q328-L331 WeakPolarHBondContact O-CB 3.48Å; Q328-L331 PolarHBondContact O-N 2.87Å; Q328-E332 HydrophobicContact CG-CG 4.44Å; Q328-E332 WeakPolarHBondContact CG-OE1 3.39Å; Q328-E332 PolarHBondContact NE2-OE1 3.03Å; Q328-E332 WeakPolarHBondContact O-CG 3.41Å; Q328-E332 PolarHBondContact O-N 2.93Å |
| 329 | E | 86.1 | Confident | 77.3 | Confident | 109 Ų | 109 | 76.2 Ų | 76.2 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | -179.7 | -54.5 | 178.7 | -166.9 | 0 | 0 | 112 | N327 L331 E332 R333 | N327-E329 WeakPolarHBondContact OD1-CB 3.46Å; N327-E329 PolarHBondContact OD1-N 3.42Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-E332 PolarHBondContact O-N 3.43Å; E329-R333 VanDerWaalsContact CB-NH1 3.25Å; E329-R333 WeakPolarHBondContact O-CB 3.48Å; E329-R333 WeakPolarHBondContact O-CD 3.48Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 3.2Å; E329-R333 IonicContact OE2-CZ 3.77Å; E329-R333 IonicContact OE2-NH1 3.21Å; E329-R333 PolarHBondContact OE2-NH1 3.18Å; E329-R333 IonicContact OE2-NH2 3.5Å; E329-R333 PolarHBondContact OE2-NH2 3.01Å |
| 330 | E | 85.6 | Confident | 78.9 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -37 | 174 | -73.3 | 179 | -161.1 | 0 | 0 | 111.4 | V325 N326 N327 Q328 R333 L334 | V325-E330 WeakPolarHBondContact CA-OE2 3.45Å; V325-E330 HydrophobicContact CB-CB 3.79Å; V325-E330 HydrophobicContact CG1-CB 3.82Å; N326-E330 WeakPolarHBondContact CB-OE2 3.47Å; N326-E330 PolarHBondContact N-OE2 2.92Å; N326-E330 VanDerWaalsContact ND2-CD 3.3Å; N326-E330 PolarHBondContact ND2-OE1 2.9Å; N326-E330 PolarHBondContact ND2-OE2 2.81Å; N327-E330 PolarHBondContact OD1-N 2.83Å; Q328-E330 PolarHBondContact O-N 3.47Å; E330-R333 PolarHBondContact O-N 2.97Å; E330-L334 PolarHBondContact O-N 3.19Å |
| 331 | L | 85 | Confident | 80.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 173.1 | -172.9 | 65.7 | 0 | 0 | 0 | 111.2 | V325 N327 Q328 E329 R333 L334 A341 R343 Y350 W357 | V325-L331 HydrophobicContact CG2-CB 4.17Å; V325-L331 HydrophobicContact CG2-CD1 4.09Å; N327-L331 PolarHBondContact O-N 3.12Å; Q328-L331 WeakPolarHBondContact O-CB 3.48Å; Q328-L331 PolarHBondContact O-N 2.87Å; E329-L331 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 3.23Å; L331-L334 WeakPolarHBondContact O-CB 3.22Å; L331-L334 PolarHBondContact O-N 2.89Å; L331-A341 HydrophobicContact CD1-CB 3.42Å; L331-A341 VanDerWaalsContact CD1-CB 3.42Å; L331-R343 HydrophobicContact CB-CG 4.49Å; L331-R343 HydrophobicContact CD2-CG 4.28Å; L331-Y350 HydrophobicContact CD2-CD1 4.1Å; L331-Y350 HydrophobicContact CD2-CD2 4.18Å; L331-Y350 HydrophobicContact CD2-CG 3.89Å; L331-W357 HydrophobicContact CD1-CD2 3.52Å; L331-W357 VanDerWaalsContact CD1-CE2 3.46Å; L331-W357 HydrophobicContact CD1-CE3 3.75Å; L331-W357 HydrophobicContact CD1-CG 4.09Å; L331-W357 HydrophobicContact CD1-CH2 3.93Å; L331-W357 HydrophobicContact CD1-CZ2 3.7Å; L331-W357 HydrophobicContact CD1-CZ3 3.94Å; L331-W357 HydrophobicContact CD2-CB 4.03Å; L331-W357 HydrophobicContact CD2-CD2 4.15Å; L331-W357 HydrophobicContact CD2-CG 3.88Å; L331-W357 HydrophobicContact CG-CB 4.45Å; L331-W357 HydrophobicContact CG-CD2 3.76Å; L331-W357 HydrophobicContact CG-CE3 4.41Å; L331-W357 HydrophobicContact CG-CG 3.76Å; L331-W357 HydrophobicContact CG-CZ2 4.4Å; L331-W357 PolarHBondContact O-NE1 3.19Å |
| 332 | E | 85.1 | Confident | 81.6 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 58% | 0.575 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.8 | -34.7 | 178.8 | -73.1 | 171.6 | -171.5 | 0 | 0 | 112.8 | Q328 E329 L334 | Q328-E332 HydrophobicContact CG-CG 4.44Å; Q328-E332 WeakPolarHBondContact CG-OE1 3.39Å; Q328-E332 PolarHBondContact NE2-OE1 3.03Å; Q328-E332 WeakPolarHBondContact O-CG 3.41Å; Q328-E332 PolarHBondContact O-N 2.93Å; E329-E332 PolarHBondContact O-N 3.43Å; E332-L334 PolarHBondContact O-N 3.2Å |
| 333 | R | 85 | Confident | 82 | Confident | 167 Ų | 167 | 65.2 Ų | 65.2 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.3 | -18.3 | 174.9 | -74.5 | 165.8 | -173.9 | 132.9 | 10.3 | 114.1 | E329 E330 L331 N335 | E329-R333 VanDerWaalsContact CB-NH1 3.25Å; E329-R333 WeakPolarHBondContact O-CB 3.48Å; E329-R333 WeakPolarHBondContact O-CD 3.48Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 3.2Å; E329-R333 IonicContact OE2-CZ 3.77Å; E329-R333 IonicContact OE2-NH1 3.21Å; E329-R333 PolarHBondContact OE2-NH1 3.18Å; E329-R333 IonicContact OE2-NH2 3.5Å; E329-R333 PolarHBondContact OE2-NH2 3.01Å; E330-R333 PolarHBondContact O-N 2.97Å; L331-R333 PolarHBondContact O-N 3.23Å; R333-N335 PolarHBondContact O-N 3.42Å |
| 334 | L | 82.5 | Confident | 81.7 | Confident | 29 Ų | 29 | 69.3 Ų | 69.3 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | trans | -72 | 94.5 | 176.4 | -75.4 | 173.6 | 0 | 0 | 0 | 111.4 | F323 V325 E330 L331 E332 T336 A341 K352 W357 | F323-L334 HydrophobicContact CB-CD1 3.61Å; F323-L334 HydrophobicContact CB-CD2 4.33Å; F323-L334 HydrophobicContact CD1-CD1 4.48Å; F323-L334 HydrophobicContact CD1-CD2 3.68Å; F323-L334 HydrophobicContact CD2-CD1 4.46Å; F323-L334 HydrophobicContact CE1-CD2 4.16Å; F323-L334 HydrophobicContact CG-CD1 3.94Å; F323-L334 HydrophobicContact CG-CD2 3.95Å; V325-L334 HydrophobicContact CG1-CD1 3.69Å; V325-L334 HydrophobicContact CG1-CG 4.28Å; E330-L334 PolarHBondContact O-N 3.19Å; L331-L334 WeakPolarHBondContact O-CB 3.22Å; L331-L334 PolarHBondContact O-N 2.89Å; E332-L334 PolarHBondContact O-N 3.2Å; L334-T336 PolarHBondContact O-N 2.03Å; L334-A341 HydrophobicContact CD1-CB 3.93Å; L334-K352 PolarHBondContact O-NZ 3.38Å; L334-W357 HydrophobicContact CB-CZ2 3.8Å; L334-W357 HydrophobicContact CD1-CH2 4.28Å; L334-W357 HydrophobicContact CD1-CZ2 4.03Å | ||
| 335 | N | 74.6 | Confident | 81.5 | Confident | 151 Ų | 151 | 69.6 Ų | 69.6 | 81% | 0.807 | 33% | 0.329 | S | S | * | . | trans | -82.4 | 48.5 | 178.2 | -161.9 | 26 | 0 | 0 | 0 | 113.8 | R333 | R333-N335 PolarHBondContact O-N 3.42Š| ||
| 336 | T | 75.4 | Confident | 81.2 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 27% | 0.27 | 35% | 0.352 | S | S | . | . | trans | -117.7 | 122.6 | -180 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | F323 L334 A339 K352 | F323-T336 HydrophobicContact CE2-CG2 4.22Å; F323-T336 HydrophobicContact CZ-CG2 3.92Å; L334-T336 PolarHBondContact O-N 2.03Å; T336-A339 VanDerWaalsContact OG1-CB 3.28Å; T336-A339 WeakPolarHBondContact OG1-CB 3.36Å; T336-K352 VanDerWaalsContact O-CD 3.31Å; T336-K352 WeakPolarHBondContact O-CD 3.27Å | ||
| 337 | Q | 69.9 | Low | 81.1 | Confident | 168 Ų | 168 | 78.1 Ų | 78.1 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 153.5 | 172.8 | -66.7 | 175.4 | -15 | 0 | 0 | 110.7 | A339 | Q337-A339 PolarHBondContact O-N 2.98Š|
| 338 | N | 67.8 | Low | 80.8 | Confident | 70 Ų | 70 | 77 Ų | 77 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.5 | 179.8 | -59 | -17 | 0 | 0 | 0 | 113.5 | K352 | N338-K352 PolarHBondContact N-O 2.85Š|
| 339 | A | 76.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | trans | -103.7 | 148.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F323 T336 Q337 F351 K352 W357 | F323-A339 HydrophobicContact CD2-CB 4.08Å; F323-A339 HydrophobicContact CE2-CB 3.9Å; T336-A339 VanDerWaalsContact OG1-CB 3.28Å; T336-A339 WeakPolarHBondContact OG1-CB 3.36Å; Q337-A339 PolarHBondContact O-N 2.98Å; A339-F351 WeakPolarHBondContact O-CA 3.41Å; A339-K352 PolarHBondContact O-N 2.73Å; A339-W357 HydrophobicContact CB-CH2 4.15Å; A339-W357 WeakPolarHBondContact O-CZ3 3.16Å | ||
| 340 | I | 84.1 | Confident | 80.5 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 18% | 0.179 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.9 | 166.3 | -66.8 | 173.9 | 0 | 0 | 0 | 108.4 | V319 I322 F323 L349 Y350 F351 I360 | V319-I340 HydrophobicContact CG1-CB 4.09Å; V319-I340 HydrophobicContact CG1-CD1 4.02Å; V319-I340 HydrophobicContact CG1-CG1 3.84Å; V319-I340 HydrophobicContact CG2-CD1 4.18Å; V319-I340 HydrophobicContact CG2-CG1 4.38Å; I322-I340 WeakPolarHBondContact CA-O 3.29Å; I322-I340 HydrophobicContact CG1-CB 4.38Å; I322-I340 HydrophobicContact CG1-CG2 4.39Å; I322-I340 HydrophobicContact CG2-CG2 4.28Å; F323-I340 PolarHBondContact N-O 2.9Å; I340-L349 HydrophobicContact CG2-CD2 3.86Å; I340-Y350 CarbonylContact C-O 3.53Å; I340-Y350 VanDerWaalsContact CA-O 3.29Å; I340-Y350 WeakPolarHBondContact CA-O 3.48Å; I340-F351 HydrophobicContact CG1-CD2 3.97Å; I340-I360 HydrophobicContact CD1-CD1 4.48Å |
| 341 | A | 84.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F323 V325 L331 L334 Y350 W357 | F323-A341 HydrophobicContact CB-CB 4.09Å; F323-A341 CarbonylContact O-C 3.53Å; F323-A341 VanDerWaalsContact O-CA 3.31Å; F323-A341 WeakPolarHBondContact O-CA 3.48Å; V325-A341 HydrophobicContact CG2-CB 4.43Å; L331-A341 HydrophobicContact CD1-CB 3.42Å; L331-A341 VanDerWaalsContact CD1-CB 3.42Å; L334-A341 HydrophobicContact CD1-CB 3.93Å; A341-Y350 PolarHBondContact N-O 3.44Å; A341-Y350 PolarHBondContact O-N 3.26Å; A341-W357 HydrophobicContact CB-CH2 3.52Å; A341-W357 HydrophobicContact CB-CZ2 4.31Å; A341-W357 HydrophobicContact CB-CZ3 3.62Å |
| 342 | F | 85.8 | Confident | 80.2 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.5 | 172.5 | -179.4 | -103 | 0 | 0 | 0 | 110.4 | F323 V324 V325 R344 R347 L349 | F323-F342 PolarHBondContact O-N 3.02Å; V324-F342 HydrophobicContact CG1-CD1 4.4Å; V325-F342 WeakPolarHBondContact CG2-O 3.35Å; V325-F342 PolarHBondContact N-O 3.19Å; F342-R344 HydrophobicContact CD1-CG 4.24Å; F342-R344 HydrophobicContact CE1-CG 4.12Å; F342-R347 HydrophobicContact CZ-CB 4.41Å; F342-L349 HydrophobicContact CB-CD2 3.87Å; F342-L349 HydrophobicContact CD2-CD2 3.94Å; F342-L349 HydrophobicContact CD2-CG 4.17Å; F342-L349 HydrophobicContact CG-CD2 4.4Å |
| 343 | R | 85.1 | Confident | 79.7 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 6% | 0.06 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.9 | 173.3 | -93.4 | -176.3 | 65.5 | -171.1 | -0.8 | 110.6 | V325 L331 D345 Q346 R347 S348 Y350 | V325-R343 HydrophobicContact CG2-CG 3.64Å; V325-R343 WeakPolarHBondContact O-CA 3.33Å; L331-R343 HydrophobicContact CB-CG 4.49Å; L331-R343 HydrophobicContact CD2-CG 4.28Å; R343-D345 VanDerWaalsContact C-N 3.32Å; R343-D345 WeakPolarHBondContact CB-OD1 3.27Å; R343-D345 IonicContact CZ-OD1 3.59Å; R343-D345 IonicContact CZ-OD2 3.54Å; R343-D345 IonicContact NE-OD1 2.89Å; R343-D345 PolarHBondContact NE-OD1 3.28Å; R343-D345 IonicContact NE-OD2 3.56Å; R343-D345 IonicContact NH2-OD1 3.46Å; R343-D345 PolarHBondContact NH2-OD1 3.46Å; R343-D345 IonicContact NH2-OD2 2.69Å; R343-D345 PolarHBondContact NH2-OD2 3.12Å; R343-D345 PolarHBondContact O-N 2.74Å; R343-Q346 VanDerWaalsContact CZ-CD 3.49Å; R343-Q346 VanDerWaalsContact NH2-NE2 3.1Å; R343-R347 VanDerWaalsContact O-CA 3.27Å; R343-R347 WeakPolarHBondContact O-CA 3.45Å; R343-R347 PolarHBondContact O-N 2.66Å; R343-S348 PolarHBondContact N-O 3.07Å; R343-S348 PolarHBondContact O-N 2.81Å; R343-Y350 HydrophobicContact CB-CD2 4.23Å; R343-Y350 HydrophobicContact CB-CE2 3.85Å; R343-Y350 HydrophobicContact CG-CD2 4.22Å; R343-Y350 HydrophobicContact CG-CE2 4.08Å |
| 344 | R | 77.4 | Confident | 79.2 | Confident | 144 Ų | 144 | 67.5 Ų | 67.5 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.9 | -180 | -70.8 | 173.1 | 166.8 | 160.8 | -1.3 | 113.7 | V324 V325 N326 F342 | V324-R344 HydrophobicContact CG1-CG 4Å; V324-R344 VanDerWaalsContact CG1-NE 3.31Å; V325-R344 PolarHBondContact O-N 3.41Å; N326-R344 WeakPolarHBondContact OD1-CD 3.48Å; N326-R344 PolarHBondContact OD1-NH1 3.38Å; F342-R344 HydrophobicContact CD1-CG 4.24Å; F342-R344 HydrophobicContact CE1-CG 4.12Å |
| 345 | D | 81.4 | Confident | 78.8 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -34.4 | -178.5 | 62.3 | -30.4 | 0 | 0 | 0 | 113.2 | N326 R343 | N326-D345 WeakPolarHBondContact O-CB 3.44Å; R343-D345 VanDerWaalsContact C-N 3.32Å; R343-D345 WeakPolarHBondContact CB-OD1 3.27Å; R343-D345 IonicContact CZ-OD1 3.59Å; R343-D345 IonicContact CZ-OD2 3.54Å; R343-D345 IonicContact NE-OD1 2.89Å; R343-D345 PolarHBondContact NE-OD1 3.28Å; R343-D345 IonicContact NE-OD2 3.56Å; R343-D345 IonicContact NH2-OD1 3.46Å; R343-D345 PolarHBondContact NH2-OD1 3.46Å; R343-D345 IonicContact NH2-OD2 2.69Å; R343-D345 PolarHBondContact NH2-OD2 3.12Å; R343-D345 PolarHBondContact O-N 2.74Å |
| 346 | Q | 79.1 | Confident | 78.9 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 51% | 0.514 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -4.5 | 177.7 | -65 | -170.4 | -10 | 0 | 0 | 113.6 | R343 S348 Y350 | R343-Q346 VanDerWaalsContact CZ-CD 3.49Å; R343-Q346 VanDerWaalsContact NH2-NE2 3.1Å; Q346-S348 VanDerWaalsContact CB-OG 3.27Å; Q346-S348 WeakPolarHBondContact CB-OG 3.48Å; Q346-S348 PolarHBondContact O-N 3.45Å; Q346-S348 PolarHBondContact O-OG 2.93Å; Q346-Y350 PolarHBondContact OE1-OH 2.82Å |
| 347 | R | 79.4 | Confident | 79.2 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.9 | -179.3 | -63.1 | 174 | 166.1 | -160.3 | -17.2 | 113.5 | F342 R343 T459 | F342-R347 HydrophobicContact CZ-CB 4.41Å; R343-R347 VanDerWaalsContact O-CA 3.27Å; R343-R347 WeakPolarHBondContact O-CA 3.45Å; R343-R347 PolarHBondContact O-N 2.66Å; R347-T459 VanDerWaalsContact CZ-CB 3.48Å; R347-T459 VanDerWaalsContact NH1-CB 3.27Å; R347-T459 PolarHBondContact NH1-OG1 3.48Å; R347-T459 PolarHBondContact NH2-OXT 3.36Å |
| 348 | S | 79.4 | Confident | 79.6 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.1 | -172.7 | 41.2 | 0 | 0 | 0 | 0 | 111.6 | R343 Q346 Y350 | R343-S348 PolarHBondContact N-O 3.07Å; R343-S348 PolarHBondContact O-N 2.81Å; Q346-S348 VanDerWaalsContact CB-OG 3.27Å; Q346-S348 WeakPolarHBondContact CB-OG 3.48Å; Q346-S348 PolarHBondContact O-N 3.45Å; Q346-S348 PolarHBondContact O-OG 2.93Å; S348-Y350 WeakPolarHBondContact OG-CE2 3.25Å; S348-Y350 PolarHBondContact OG-OH 3.21Å |
| 349 | L | 83.8 | Confident | 80.2 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 144.4 | 171.8 | -71.6 | 166 | 0 | 0 | 0 | 110.2 | I340 F342 I360 L362 | I340-L349 HydrophobicContact CG2-CD2 3.86Å; F342-L349 HydrophobicContact CB-CD2 3.87Å; F342-L349 HydrophobicContact CD2-CD2 3.94Å; F342-L349 HydrophobicContact CD2-CG 4.17Å; F342-L349 HydrophobicContact CG-CD2 4.4Å; L349-I360 HydrophobicContact CB-CB 4.08Å; L349-I360 HydrophobicContact CB-CD1 4.07Å; L349-I360 HydrophobicContact CB-CG1 4.31Å; L349-I360 PolarHBondContact O-N 2.93Å; L349-L362 HydrophobicContact CD1-CD1 4.3Å |
| 350 | Y | 81.6 | Confident | 80.3 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 9% | 0.086 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.7 | 174.1 | -63.4 | -99.8 | 0 | 0 | 0 | 109.6 | L331 I340 A341 R343 Q346 S348 L358 P359 | L331-Y350 HydrophobicContact CD2-CD1 4.1Å; L331-Y350 HydrophobicContact CD2-CD2 4.18Å; L331-Y350 HydrophobicContact CD2-CG 3.89Å; I340-Y350 CarbonylContact C-O 3.53Å; I340-Y350 VanDerWaalsContact CA-O 3.29Å; I340-Y350 WeakPolarHBondContact CA-O 3.48Å; A341-Y350 PolarHBondContact N-O 3.44Å; A341-Y350 PolarHBondContact O-N 3.26Å; R343-Y350 HydrophobicContact CB-CD2 4.23Å; R343-Y350 HydrophobicContact CB-CE2 3.85Å; R343-Y350 HydrophobicContact CG-CD2 4.22Å; R343-Y350 HydrophobicContact CG-CE2 4.08Å; Q346-Y350 PolarHBondContact OE1-OH 2.82Å; S348-Y350 WeakPolarHBondContact OG-CE2 3.25Å; S348-Y350 PolarHBondContact OG-OH 3.21Å; Y350-L358 CarbonylContact C-O 3.54Å; Y350-L358 VanDerWaalsContact CA-O 3.22Å; Y350-L358 WeakPolarHBondContact CA-O 3.27Å; Y350-P359 HydrophobicContact CD1-CB 4.08Å; Y350-P359 HydrophobicContact CE1-CB 3.72Å |
| 351 | F | 85.4 | Confident | 79.4 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.6 | 170.3 | 175.3 | -106.3 | 0 | 0 | 0 | 109.9 | A339 I340 D353 W357 L358 I360 | A339-F351 WeakPolarHBondContact O-CA 3.41Å; I340-F351 HydrophobicContact CG1-CD2 3.97Å; F351-D353 HydrophobicContact CD1-CB 4.07Å; F351-D353 HydrophobicContact CE1-CB 3.8Å; F351-W357 VanDerWaalsContact C-CE3 3.43Å; F351-W357 WeakPolarHBondContact O-CA 3.14Å; F351-L358 PolarHBondContact N-O 3.03Å; F351-L358 PolarHBondContact O-N 3.25Å; F351-I360 HydrophobicContact CB-CD1 4.18Å; F351-I360 HydrophobicContact CB-CG1 4.31Å |
| 352 | K | 79.8 | Confident | 78.1 | Confident | 34 Ų | 34 | 80.1 Ų | 80.1 | 15% | 0.148 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 96.5 | 174.3 | -176.2 | 149 | 165.1 | 176 | 0 | 111 | L334 T336 N338 A339 G356 W357 | L334-K352 PolarHBondContact O-NZ 3.38Å; T336-K352 VanDerWaalsContact O-CD 3.31Å; T336-K352 WeakPolarHBondContact O-CD 3.27Å; N338-K352 PolarHBondContact N-O 2.85Å; A339-K352 PolarHBondContact O-N 2.73Å; K352-G356 WeakPolarHBondContact CA-O 3.4Å; K352-W357 HydrophobicContact CB-CD2 3.75Å; K352-W357 HydrophobicContact CB-CE3 3.6Å; K352-W357 HydrophobicContact CB-CH2 3.7Å; K352-W357 HydrophobicContact CB-CZ2 3.83Å; K352-W357 HydrophobicContact CB-CZ3 3.58Å; K352-W357 HydrophobicContact CD-CD2 4.08Å; K352-W357 VanDerWaalsContact CD-CE2 3.5Å; K352-W357 HydrophobicContact CD-CG 4.49Å; K352-W357 HydrophobicContact CD-CH2 4.38Å; K352-W357 HydrophobicContact CD-CZ2 3.67Å; K352-W357 HydrophobicContact CG-CD2 4.34Å; K352-W357 HydrophobicContact CG-CZ2 4.4Å |
| 353 | D | 74.7 | Confident | 76.2 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 171 | 166.5 | -173 | 16.5 | 0 | 0 | 0 | 110.3 | F351 L355 G356 L358 | F351-D353 HydrophobicContact CD1-CB 4.07Å; F351-D353 HydrophobicContact CE1-CB 3.8Å; D353-L355 PolarHBondContact O-N 3.02Å; D353-G356 PolarHBondContact N-O 3.36Å; D353-G356 PolarHBondContact O-N 3.49Å; D353-L358 HydrophobicContact CB-CD1 4.37Å |
| 354 | S | 73.9 | Confident | 74 | Confident | 107 Ų | 107 | 85.4 Ų | 85.4 | 75% | 0.748 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43 | -34.8 | 163.2 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 355 | L | 73.8 | Confident | 72.2 | Confident | 152 Ų | 152 | 87.7 Ų | 87.7 | 80% | 0.796 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7 | 178.4 | -61.4 | 178.7 | 0 | 0 | 0 | 114.5 | D353 | D353-L355 PolarHBondContact O-N 3.02Š|
| 356 | G | 76.7 | Confident | 69.9 | Low | 24 Ų | 24 | 93 Ų | 93 | 25% | 0.247 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.1 | -159.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | K352 D353 | K352-G356 WeakPolarHBondContact CA-O 3.4Å; D353-G356 PolarHBondContact N-O 3.36Å; D353-G356 PolarHBondContact O-N 3.49Å |
| 357 | W | 81.9 | Confident | 67.8 | Low | 40 Ų | 40 | 93.4 Ų | 93.4 | 15% | 0.152 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 116.5 | -177.2 | -72.9 | 112 | 0 | 0 | 0 | 112.1 | L331 L334 A339 A341 F351 K352 | L331-W357 HydrophobicContact CD1-CD2 3.52Å; L331-W357 VanDerWaalsContact CD1-CE2 3.46Å; L331-W357 HydrophobicContact CD1-CE3 3.75Å; L331-W357 HydrophobicContact CD1-CG 4.09Å; L331-W357 HydrophobicContact CD1-CH2 3.93Å; L331-W357 HydrophobicContact CD1-CZ2 3.7Å; L331-W357 HydrophobicContact CD1-CZ3 3.94Å; L331-W357 HydrophobicContact CD2-CB 4.03Å; L331-W357 HydrophobicContact CD2-CD2 4.15Å; L331-W357 HydrophobicContact CD2-CG 3.88Å; L331-W357 HydrophobicContact CG-CB 4.45Å; L331-W357 HydrophobicContact CG-CD2 3.76Å; L331-W357 HydrophobicContact CG-CE3 4.41Å; L331-W357 HydrophobicContact CG-CG 3.76Å; L331-W357 HydrophobicContact CG-CZ2 4.4Å; L331-W357 PolarHBondContact O-NE1 3.19Å; L334-W357 HydrophobicContact CB-CZ2 3.8Å; L334-W357 HydrophobicContact CD1-CH2 4.28Å; L334-W357 HydrophobicContact CD1-CZ2 4.03Å; A339-W357 HydrophobicContact CB-CH2 4.15Å; A339-W357 WeakPolarHBondContact O-CZ3 3.16Å; A341-W357 HydrophobicContact CB-CH2 3.52Å; A341-W357 HydrophobicContact CB-CZ2 4.31Å; A341-W357 HydrophobicContact CB-CZ3 3.62Å; F351-W357 VanDerWaalsContact C-CE3 3.43Å; F351-W357 WeakPolarHBondContact O-CA 3.14Å; K352-W357 HydrophobicContact CB-CD2 3.75Å; K352-W357 HydrophobicContact CB-CE3 3.6Å; K352-W357 HydrophobicContact CB-CH2 3.7Å; K352-W357 HydrophobicContact CB-CZ2 3.83Å; K352-W357 HydrophobicContact CB-CZ3 3.58Å; K352-W357 HydrophobicContact CD-CD2 4.08Å; K352-W357 VanDerWaalsContact CD-CE2 3.5Å; K352-W357 HydrophobicContact CD-CG 4.49Å; K352-W357 HydrophobicContact CD-CH2 4.38Å; K352-W357 HydrophobicContact CD-CZ2 3.67Å; K352-W357 HydrophobicContact CG-CD2 4.34Å; K352-W357 HydrophobicContact CG-CZ2 4.4Å |
| 358 | L | 78.8 | Confident | 65.7 | Low | 89 Ų | 89 | 92 Ų | 92 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.9 | 177.9 | -62.6 | 173.1 | 0 | 0 | 0 | 110.6 | Y350 F351 D353 | Y350-L358 CarbonylContact C-O 3.54Å; Y350-L358 VanDerWaalsContact CA-O 3.22Å; Y350-L358 WeakPolarHBondContact CA-O 3.27Å; F351-L358 PolarHBondContact N-O 3.03Å; F351-L358 PolarHBondContact O-N 3.25Å; D353-L358 HydrophobicContact CB-CD1 4.37Å |
| 359 | P | 80.8 | Confident | 63.5 | Low | 81 Ų | 81 | 97.7 Ų | 97.7 | 53% | 0.526 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.6 | 178.1 | 29.5 | -33.7 | 0 | 0 | 0 | 111.7 | Y350 | Y350-P359 HydrophobicContact CD1-CB 4.08Å; Y350-P359 HydrophobicContact CE1-CB 3.72Å |
| 360 | I | 79.6 | Confident | 61.1 | Low | 63 Ų | 63 | 105.7 Ų | 105.7 | 32% | 0.323 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.1 | 173 | -52.5 | -178.9 | 0 | 0 | 0 | 108.4 | I340 L349 F351 L362 | I340-I360 HydrophobicContact CD1-CD1 4.48Å; L349-I360 HydrophobicContact CB-CB 4.08Å; L349-I360 HydrophobicContact CB-CD1 4.07Å; L349-I360 HydrophobicContact CB-CG1 4.31Å; L349-I360 PolarHBondContact O-N 2.93Å; F351-I360 HydrophobicContact CB-CD1 4.18Å; F351-I360 HydrophobicContact CB-CG1 4.31Å; I360-L362 HydrophobicContact CG2-CD2 4.33Å |
| 361 | Q | 64 | Low | 58.8 | Low | 175 Ų | 175 | 110.4 Ų | 110.4 | 82% | 0.818 | 58% | 0.581 | S | S | * | * | trans | -84.2 | 114.2 | 172.6 | -68.5 | -172.9 | -7.3 | 0 | 0 | 110.2 | T363 | Q361-T363 PolarHBondContact O-N 3.42Š| ||
| 362 | L | 57 | Low | 56.6 | Low | 139 Ų | 139 | 111.6 Ų | 111.6 | 73% | 0.728 | 60% | 0.601 | S | S | * | * | trans | -88.8 | 96.3 | 170.9 | -63 | 177.7 | 0 | 0 | 0 | 109.3 | L349 I360 | L349-L362 HydrophobicContact CD1-CD1 4.3Å; I360-L362 HydrophobicContact CG2-CD2 4.33Å | ||
| 363 | T | 45.9 | Very low | 54.6 | Low | 97 Ų | 97 | 117.3 Ų | 117.3 | 60% | 0.595 | 63% | 0.633 | S | S | * | * | trans | -73.4 | 122.3 | 169.3 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | Q361 F365 | Q361-T363 PolarHBondContact O-N 3.42Å; T363-F365 PolarHBondContact O-N 3.07Å | ||
| 364 | P | 40.6 | Very low | 52.9 | Low | 97 Ų | 97 | 123.3 Ų | 123.3 | 63% | 0.63 | 66% | 0.66 | S | S | * | * | trans | -69.9 | 115.6 | 174.5 | 28.5 | -32.9 | 0 | 0 | 0 | 109.8 | Y366 | P364-Y366 PolarHBondContact O-N 3.24Š| ||
| 365 | F | 38.5 | Very low | 51.5 | Low | 193 Ų | 193 | 127.4 Ų | 127.4 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123 | 168 | -79.5 | -94.1 | 0 | 0 | 0 | 109.4 | T363 | T363-F365 PolarHBondContact O-N 3.07Š|
| 366 | Y | 33.3 | Very low | 49.9 | Very low | 194 Ų | 194 | 121.5 Ų | 121.5 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.2 | 165.3 | -60.9 | -87.5 | 0 | 0 | 0 | 108.2 | P364 | P364-Y366 PolarHBondContact O-N 3.24Š|
| 367 | P | 36.1 | Very low | 48.3 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140 | 166.2 | -21.3 | 33.4 | 0 | 0 | 0 | 109.8 | ||
| 368 | V | 33.5 | Very low | 46.7 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 71% | 0.709 | 64% | 0.639 | S | S | * | * | trans | -96.8 | 111.9 | 176.1 | 179 | 0 | 0 | 0 | 0 | 107.9 | Y370 | V368-Y370 HydrophobicContact CG1-CD2 4.33Å; V368-Y370 HydrophobicContact CG1-CE2 4.18Å; V368-Y370 PolarHBondContact O-N 3.05Å | ||
| 369 | D | 33.4 | Very low | 45.2 | Very low | 149 Ų | 149 | 118 Ų | 118 | 80% | 0.797 | 62% | 0.618 | S | S | * | * | trans | -63.9 | 125.4 | 172.3 | -64.5 | -47.2 | 0 | 0 | 0 | 109.9 | ||||
| 370 | Y | 33.2 | Very low | 43.7 | Very low | 214 Ų | 214 | 117.5 Ų | 117.5 | 84% | 0.839 | 61% | 0.61 | S | S | * | * | trans | -100.8 | 129.6 | 171 | -95.7 | -95.4 | 0 | 0 | 0 | 110.3 | V368 | V368-Y370 HydrophobicContact CG1-CD2 4.33Å; V368-Y370 HydrophobicContact CG1-CE2 4.18Å; V368-Y370 PolarHBondContact O-N 3.05Å | ||
| 371 | T | 33.9 | Very low | 42.2 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | trans | -116.7 | 111.6 | -174.6 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 372 | A | 38.4 | Very low | 41.5 | Very low | 84 Ų | 84 | 114.1 Ų | 114.1 | 69% | 0.694 | 61% | 0.609 | S | S | * | * | trans | 63.9 | 169.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 373 | D | 38.2 | Very low | 41.3 | Very low | 153 Ų | 153 | 113.3 Ų | 113.3 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | cis | -150.3 | 95.5 | -2.5 | -147.7 | 2.7 | 0 | 0 | 0 | 110 | ||||
| 374 | Q | 40.2 | Very low | 41.5 | Very low | 183 Ų | 183 | 112.7 Ų | 112.7 | 86% | 0.855 | 60% | 0.595 | S | S | * | * | trans | -142.5 | 125.4 | 167 | -68.7 | -165.2 | 10.6 | 0 | 0 | 109.3 | ||||
| 375 | R | 42.8 | Very low | 41.6 | Very low | 192 Ų | 192 | 114.8 Ų | 114.8 | 73% | 0.725 | 61% | 0.609 | S | S | * | * | trans | -98.4 | 93.1 | 175 | -171.7 | -173.4 | -63.9 | -118.8 | 1.7 | 108 | D399 | R375-D399 IonicContact CZ-OD1 3.58Å; R375-D399 IonicContact NE-OD1 3.91Å; R375-D399 IonicContact NH1-OD1 2.66Å; R375-D399 PolarHBondContact NH1-OD1 3.29Å; R375-D399 IonicContact NH1-OD2 2.88Å; R375-D399 PolarHBondContact NH1-OD2 3.4Å | ||
| 376 | G | 41.7 | Very low | 42.1 | Very low | 29 Ų | 29 | 109 Ų | 109 | 30% | 0.299 | 60% | 0.604 | S | S | . | * | trans | -65.5 | 165.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E387 | G376-E387 VanDerWaalsContact CA-OE1 3.23Å; G376-E387 WeakPolarHBondContact CA-OE1 3.36Å | ||
| 377 | T | 42.4 | Very low | 42.9 | Very low | 75 Ų | 75 | 101.6 Ų | 101.6 | 46% | 0.46 | 58% | 0.576 | S | S | . | * | trans | -135.2 | 86.8 | 178 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | E387 | T377-E387 PolarHBondContact N-OE1 2.97Š| ||
| 378 | C | 47.8 | Very low | 43.4 | Very low | 4 Ų | 4 | 104.2 Ų | 104.2 | 3% | 0.027 | 58% | 0.578 | C | S | . | * | trans | -71.8 | 175.6 | 170 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | C400 | C378-C400 HydrophobicContact CB-CB 4.36Å; C378-C400 WeakPolarHBondContact CB-SG 3.48Å; C378-C400 PolarHBondContact N-SG 3.5Å; C378-C400 WeakPolarHBondContact SG-CA 3.04Å; C378-C400 WeakPolarHBondContact SG-CB 3.2Å; C378-C400 CovalentContact SG-SG 2.04Å; C378-C400 PolarHBondContact SG-SG 3.36Å | ||
| 379 | G | 48 | Very low | 44.1 | Very low | 1 Ų | 1 | 101 Ų | 101 | 1% | 0.01 | 56% | 0.56 | C | S | . | * | trans | 89.9 | 11.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | N393 S394 | G379-N393 CarbonylContact C-O 3.52Å; G379-S394 CarbonylContact O-C 3.56Å; G379-S394 WeakPolarHBondContact O-CA 3.44Å | ||
| 380 | D | 48.6 | Very low | 44.9 | Very low | 69 Ų | 69 | 96.5 Ų | 96.5 | 37% | 0.369 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -98.9 | -3.7 | 170.4 | 79.5 | -14.1 | 0 | 0 | 0 | 113.9 | L382 Q384 | D380-L382 PolarHBondContact OD1-N 3.48Å; D380-Q384 PolarHBondContact OD2-NE2 2.99Å |
| 381 | G | 50 | Low | 46 | Very low | 48 Ų | 48 | 90.4 Ų | 90.4 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | S | Bend | trans | 77.1 | 12.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D390 | G381-D390 WeakPolarHBondContact CA-OD2 3.31Š|
| 382 | L | 48.8 | Very low | 46.8 | Very low | 119 Ų | 119 | 87.4 Ų | 87.4 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -133.5 | 101.7 | -174.5 | -66.4 | 172.4 | 0 | 0 | 0 | 111.9 | D380 Q384 | D380-L382 PolarHBondContact OD1-N 3.48Å; L382-Q384 WeakPolarHBondContact O-CG 3.12Å; L382-Q384 PolarHBondContact O-N 3.42Å |
| 383 | L | 51.6 | Low | 47.3 | Very low | 122 Ų | 122 | 86.1 Ų | 86.1 | 64% | 0.639 | 49% | 0.492 | S | S | * | . | trans | -47.5 | 105.8 | 173.7 | -100.6 | 164.4 | 0 | 0 | 0 | 112.8 | E387 | L383-E387 WeakPolarHBondContact CD2-O 3.42Š| ||
| 384 | Q | 51 | Low | 48.1 | Very low | 84 Ų | 84 | 83.9 Ų | 83.9 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | trans | -89.2 | 157.8 | -178 | -51.9 | -158.4 | 15.1 | 0 | 0 | 112.1 | D380 L382 G386 E387 | D380-Q384 PolarHBondContact OD2-NE2 2.99Å; L382-Q384 WeakPolarHBondContact O-CG 3.12Å; L382-Q384 PolarHBondContact O-N 3.42Å; Q384-G386 VanDerWaalsContact C-N 3.33Å; Q384-G386 PolarHBondContact O-N 3.32Å; Q384-E387 WeakPolarHBondContact CB-OE2 3.32Å; Q384-E387 PolarHBondContact N-OE2 3.04Å; Q384-E387 PolarHBondContact O-N 3.32Å | ||
| 385 | P | 43.4 | Very low | 48.6 | Very low | 142 Ų | 142 | 80 Ų | 80 | 92% | 0.922 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 80.5 | -175.3 | -19.9 | 34.7 | 0 | 0 | 0 | 113.9 | ||
| 386 | G | 48.4 | Very low | 48.7 | Very low | 71 Ų | 71 | 76.1 Ų | 76.1 | 73% | 0.732 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 157.6 | -12.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q384 | Q384-G386 VanDerWaalsContact C-N 3.33Å; Q384-G386 PolarHBondContact O-N 3.32Å |
| 387 | E | 50.3 | Low | 49 | Very low | 38 Ų | 38 | 78.2 Ų | 78.2 | 18% | 0.178 | 49% | 0.493 | C | S | . | . | trans | -101.1 | 132.9 | -176.9 | -68.2 | 161.5 | 166.6 | 0 | 0 | 110.6 | G376 T377 L383 Q384 | G376-E387 VanDerWaalsContact CA-OE1 3.23Å; G376-E387 WeakPolarHBondContact CA-OE1 3.36Å; T377-E387 PolarHBondContact N-OE1 2.97Å; L383-E387 WeakPolarHBondContact CD2-O 3.42Å; Q384-E387 WeakPolarHBondContact CB-OE2 3.32Å; Q384-E387 PolarHBondContact N-OE2 3.04Å; Q384-E387 PolarHBondContact O-N 3.32Å | ||
| 388 | E | 45.3 | Very low | 49.1 | Very low | 173 Ų | 173 | 77.2 Ų | 77.2 | 81% | 0.808 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -84.5 | -17.8 | 178.5 | -69.9 | -161.9 | 139.4 | 0 | 0 | 113.3 | ||
| 389 | C | 49.6 | Very low | 48.9 | Very low | 48 Ų | 48 | 82.5 Ų | 82.5 | 32% | 0.324 | 51% | 0.513 | S | S | . | . | trans | -153.8 | 150.6 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | C404 | C389-C404 WeakPolarHBondContact SG-CB 3.4Š| ||
| 390 | D | 50.6 | Low | 49 | Very low | 56 Ų | 56 | 84.1 Ų | 84.1 | 30% | 0.299 | 52% | 0.524 | S | S | . | . | trans | -107.4 | 142.2 | 161.5 | 179 | 24.4 | 0 | 0 | 0 | 107.3 | G381 G392 | G381-D390 WeakPolarHBondContact CA-OD2 3.31Å; D390-G392 PolarHBondContact OD1-N 3.3Å | ||
| 391 | D | 55.5 | Low | 48.9 | Very low | 86 Ų | 86 | 86.3 Ų | 86.3 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | trans | -89.5 | -8.1 | 179.3 | 60.5 | 25.5 | 0 | 0 | 0 | 113 | N393 | D391-N393 VanDerWaalsContact C-N 3.28Å; D391-N393 VanDerWaalsContact OD1-CB 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.43Å; D391-N393 PolarHBondContact OD1-N 3.02Å | ||
| 392 | G | 51.2 | Low | 48.3 | Very low | 58 Ų | 58 | 93.8 Ų | 93.8 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | trans | 76.2 | 13.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D390 | D390-G392 PolarHBondContact OD1-N 3.3Š| ||
| 393 | N | 49.2 | Very low | 47.9 | Very low | 57 Ų | 57 | 93.8 Ų | 93.8 | 31% | 0.305 | 55% | 0.548 | S | S | . | . | trans | -69.7 | 166.5 | 168.3 | -158.9 | 2.3 | 0 | 0 | 0 | 110.9 | G379 D391 D395 D398 | G379-N393 CarbonylContact C-O 3.52Å; D391-N393 VanDerWaalsContact C-N 3.28Å; D391-N393 VanDerWaalsContact OD1-CB 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.43Å; D391-N393 PolarHBondContact OD1-N 3.02Å; N393-D395 WeakPolarHBondContact ND2-CB 3.34Å; N393-D395 PolarHBondContact ND2-OD2 3.43Å; N393-D395 VanDerWaalsContact ND2-OD2 3.11Å; N393-D395 PolarHBondContact OD1-N 3.28Å; N393-D395 PolarHBondContact OD1-OD2 3.49Å; N393-D398 PolarHBondContact ND2-OD2 3.17Å | ||
| 394 | S | 53.9 | Low | 47.2 | Very low | 107 Ų | 107 | 90.5 Ų | 90.5 | 75% | 0.748 | 54% | 0.535 | S | S | * | . | trans | -113 | -0.9 | 170 | -53 | 0 | 0 | 0 | 0 | 112.7 | G379 | G379-S394 CarbonylContact O-C 3.56Å; G379-S394 WeakPolarHBondContact O-CA 3.44Å | ||
| 395 | D | 50.7 | Low | 46.6 | Very low | 101 Ų | 101 | 93.9 Ų | 93.9 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | trans | -81.7 | 140.2 | 174.3 | -61 | -51.3 | 0 | 0 | 0 | 109.8 | N393 D398 | N393-D395 WeakPolarHBondContact ND2-CB 3.34Å; N393-D395 PolarHBondContact ND2-OD2 3.43Å; N393-D395 VanDerWaalsContact ND2-OD2 3.11Å; N393-D395 PolarHBondContact OD1-N 3.28Å; N393-D395 PolarHBondContact OD1-OD2 3.49Å; D395-D398 WeakPolarHBondContact CB-OD1 3.05Å | ||
| 396 | V | 45.9 | Very low | 46.2 | Very low | 110 Ų | 110 | 97.2 Ų | 97.2 | 67% | 0.667 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -109.7 | 37.1 | -177 | -160.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 397 | G | 46.8 | Very low | 45.2 | Very low | 74 Ų | 74 | 98.4 Ų | 98.4 | 76% | 0.763 | 55% | 0.547 | S | S | * | . | trans | -123.1 | 4.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 398 | D | 44.8 | Very low | 44.4 | Very low | 53 Ų | 53 | 106.6 Ų | 106.6 | 28% | 0.283 | 58% | 0.578 | S | S | . | * | trans | -98.9 | 118.2 | -160 | -56.7 | 48.2 | 0 | 0 | 0 | 108.9 | N393 D395 C400 | N393-D398 PolarHBondContact ND2-OD2 3.17Å; D395-D398 WeakPolarHBondContact CB-OD1 3.05Å; D398-C400 PolarHBondContact O-N 3.24Å; D398-C400 VanDerWaalsContact O-N 3.12Å | ||
| 399 | D | 44.3 | Very low | 43.8 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 62% | 0.615 | 58% | 0.581 | S | S | * | * | trans | -71.6 | 104.5 | 169.1 | -97.7 | -27.3 | 0 | 0 | 0 | 107.7 | R375 | R375-D399 IonicContact CZ-OD1 3.58Å; R375-D399 IonicContact NE-OD1 3.91Å; R375-D399 IonicContact NH1-OD1 2.66Å; R375-D399 PolarHBondContact NH1-OD1 3.29Å; R375-D399 IonicContact NH1-OD2 2.88Å; R375-D399 PolarHBondContact NH1-OD2 3.4Å | ||
| 400 | C | 48.8 | Very low | 43.1 | Very low | 35 Ų | 35 | 105.2 Ų | 105.2 | 24% | 0.236 | 60% | 0.597 | C | S | . | * | trans | -48.8 | 139.6 | -175.3 | -53.8 | 0 | 0 | 0 | 0 | 112.9 | C378 D398 R402 | C378-C400 HydrophobicContact CB-CB 4.36Å; C378-C400 WeakPolarHBondContact CB-SG 3.48Å; C378-C400 PolarHBondContact N-SG 3.5Å; C378-C400 WeakPolarHBondContact SG-CA 3.04Å; C378-C400 WeakPolarHBondContact SG-CB 3.2Å; C378-C400 CovalentContact SG-SG 2.04Å; C378-C400 PolarHBondContact SG-SG 3.36Å; D398-C400 PolarHBondContact O-N 3.24Å; D398-C400 VanDerWaalsContact O-N 3.12Å; C400-R402 PolarHBondContact O-N 2.96Å | ||
| 401 | I | 47.2 | Very low | 42.4 | Very low | 116 Ų | 116 | 109.4 Ų | 109.4 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | trans | -64.8 | 97.2 | -179.8 | -59.1 | 178.5 | 0 | 0 | 0 | 109.3 | D403 C404 | I401-D403 PolarHBondContact O-N 2.78Å; I401-C404 HydrophobicContact CB-CB 4.3Å; I401-C404 HydrophobicContact CG2-CB 4.21Å; I401-C404 WeakPolarHBondContact O-CB 3.49Å; I401-C404 PolarHBondContact O-N 3.46Å | ||
| 402 | R | 37.7 | Very low | 41.5 | Very low | 205 Ų | 205 | 107.9 Ų | 107.9 | 77% | 0.774 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -4.1 | -170.2 | -124.2 | -167.2 | 63.9 | -174.2 | -4.7 | 116.6 | C400 | C400-R402 PolarHBondContact O-N 2.96Š|
| 403 | D | 40.5 | Very low | 40.9 | Very low | 118 Ų | 118 | 111.8 Ų | 111.8 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 47.3 | -175.6 | -62.1 | -80.8 | 0 | 0 | 0 | 110.1 | I401 H405 | I401-D403 PolarHBondContact O-N 2.78Å; D403-H405 PolarHBondContact O-N 3.41Å |
| 404 | C | 37 | Very low | 40.4 | Very low | 54 Ų | 54 | 118.8 Ų | 118.8 | 37% | 0.365 | 65% | 0.648 | S | S | . | * | trans | -75.1 | 50.1 | -171.1 | -158.2 | 0 | 0 | 0 | 0 | 115.1 | C389 I401 R406 | C389-C404 WeakPolarHBondContact SG-CB 3.4Å; I401-C404 HydrophobicContact CB-CB 4.3Å; I401-C404 HydrophobicContact CG2-CB 4.21Å; I401-C404 WeakPolarHBondContact O-CB 3.49Å; I401-C404 PolarHBondContact O-N 3.46Å; C404-R406 PolarHBondContact O-N 3.29Å | ||
| 405 | H | 37.5 | Very low | 39.8 | Very low | 155 Ų | 155 | 120.4 Ų | 120.4 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | trans | -79 | 47.4 | 177 | -70.3 | -17.3 | 0 | 0 | 0 | 113.5 | D403 | D403-H405 PolarHBondContact O-N 3.41Š| ||
| 406 | R | 34.5 | Very low | 39.3 | Very low | 211 Ų | 211 | 122.7 Ų | 122.7 | 80% | 0.796 | 65% | 0.651 | S | S | * | * | trans | -141.3 | 106.4 | 176.6 | -70.8 | -170.2 | 174.6 | -171.1 | -2.7 | 112.6 | C404 | C404-R406 PolarHBondContact O-N 3.29Š| ||
| 407 | A | 28.9 | Very low | 39.3 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 66% | 0.659 | S | S | * | * | trans | -71.9 | 128.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 408 | Y | 32.5 | Very low | 38.9 | Very low | 211 Ų | 211 | 123.8 Ų | 123.8 | 83% | 0.827 | 66% | 0.659 | S | S | * | * | trans | -73 | 142.3 | 164.2 | -76.6 | -92.4 | 0 | 0 | 0 | 109.7 | ||||
| 409 | C | 33 | Very low | 38.5 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 86% | 0.858 | 68% | 0.684 | S | S | * | * | trans | -111.7 | 136.7 | 170.9 | -69.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 410 | G | 34.9 | Very low | 38.3 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 82.4 | 132.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G412 | G410-G412 PolarHBondContact O-N 3.08Š|
| 411 | D | 34.8 | Very low | 37.8 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -3.8 | -13.5 | -179.7 | 75.1 | 5.5 | 0 | 0 | 0 | 124.7 | H413 | D411-H413 PolarHBondContact OD1-N 3.47Š|
| 412 | G | 37.4 | Very low | 37.1 | Very low | 53 Ų | 53 | 135.7 Ų | 135.7 | 55% | 0.546 | 72% | 0.723 | S | S | . | * | S | Bend | trans | 108.5 | 1.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G410 | G410-G412 PolarHBondContact O-N 3.08Š|
| 413 | H | 37.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | trans | -124.7 | 123.3 | -174.9 | -67.6 | -20.8 | 0 | 0 | 0 | 114.5 | D411 H415 | D411-H413 PolarHBondContact OD1-N 3.47Å; H413-H415 PolarHBondContact O-N 3.39Å | ||
| 414 | R | 40 | Very low | 37.2 | Very low | 204 Ų | 204 | 128 Ų | 128 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -85.3 | 91.8 | -179.8 | -176 | -179.3 | 177.7 | -95.7 | -10.3 | 111.6 | E416 | R414-E416 IonicContact CZ-OE1 3.15Å; R414-E416 IonicContact NH1-OE1 2.8Å; R414-E416 PolarHBondContact NH1-OE1 3.43Å; R414-E416 IonicContact NH2-OE1 2.68Å; R414-E416 PolarHBondContact NH2-OE1 2.98Å | ||
| 415 | H | 40.9 | Very low | 37.3 | Very low | 140 Ų | 140 | 129 Ų | 129 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | trans | -85.6 | 112.6 | 173.2 | -80.3 | -101.8 | 0 | 0 | 0 | 112 | H413 G417 | H413-H415 PolarHBondContact O-N 3.39Å; H415-G417 PolarHBondContact O-N 3.43Å | ||
| 416 | E | 40.8 | Very low | 37.1 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 113.4 | -171.4 | -160.8 | 164.7 | -107.8 | 0 | 0 | 112.2 | R414 | R414-E416 IonicContact CZ-OE1 3.15Å; R414-E416 IonicContact NH1-OE1 2.8Å; R414-E416 PolarHBondContact NH1-OE1 3.43Å; R414-E416 IonicContact NH2-OE1 2.68Å; R414-E416 PolarHBondContact NH2-OE1 2.98Å |
| 417 | G | 45.8 | Very low | 37.1 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.5 | 18.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | H415 | H415-G417 PolarHBondContact O-N 3.43Š|
| 418 | V | 38.4 | Very low | 37.5 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -24.4 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 419 | E | 36.6 | Very low | 37.7 | Very low | 173 Ų | 173 | 120.2 Ų | 120.2 | 81% | 0.808 | 69% | 0.686 | S | S | * | * | trans | -108.2 | 97 | -178.2 | -56 | -152.6 | 159.4 | 0 | 0 | 112.4 | ||||
| 420 | D | 39.5 | Very low | 38 | Very low | 164 Ų | 164 | 116.5 Ų | 116.5 | 88% | 0.877 | 66% | 0.659 | S | S | * | * | trans | -91.4 | 95.8 | 163.3 | -87.8 | -38.5 | 0 | 0 | 0 | 108.9 | D422 | D420-D422 PolarHBondContact O-N 3.04Š| ||
| 421 | C | 38.3 | Very low | 38.1 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | trans | 4.7 | 93.9 | 165.8 | -67.9 | 0 | 0 | 0 | 0 | 116.5 | G423 D425 | C421-G423 VanDerWaalsContact C-N 3.28Å; C421-G423 PolarHBondContact O-N 2.98Å; C421-D425 WeakPolarHBondContact CA-OD2 3.32Å; C421-D425 HydrophobicContact CB-CB 4.09Å; C421-D425 WeakPolarHBondContact CB-OD1 3.28Å; C421-D425 VanDerWaalsContact CB-OD2 3.31Å; C421-D425 WeakPolarHBondContact CB-OD2 3.41Å; C421-D425 VanDerWaalsContact SG-CG 3.59Å; C421-D425 PolarHBondContact SG-OD1 2.8Å | ||
| 422 | D | 32.6 | Very low | 38.1 | Very low | 137 Ų | 137 | 113.2 Ų | 113.2 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | -82.7 | 5.8 | -172.4 | 92.7 | -27.1 | 0 | 0 | 0 | 115.6 | D420 S424 D425 | D420-D422 PolarHBondContact O-N 3.04Å; D422-S424 PolarHBondContact OD1-N 3.47Å; D422-S424 PolarHBondContact OD1-OG 3.41Å; D422-D425 PolarHBondContact N-OD2 3.14Å | ||
| 423 | G | 37.1 | Very low | 38.2 | Very low | 61 Ų | 61 | 115.2 Ų | 115.2 | 63% | 0.629 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 97.6 | 2.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C421 D425 | C421-G423 VanDerWaalsContact C-N 3.28Å; C421-G423 PolarHBondContact O-N 2.98Å; G423-D425 PolarHBondContact N-OD2 3.23Å; G423-D425 PolarHBondContact O-N 2.97Å |
| 424 | S | 41.7 | Very low | 38.3 | Very low | 102 Ų | 102 | 114.7 Ų | 114.7 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | trans | -62.7 | -17.2 | 151.8 | -55 | 0 | 0 | 0 | 0 | 111.6 | D422 | D422-S424 PolarHBondContact OD1-N 3.47Å; D422-S424 PolarHBondContact OD1-OG 3.41Å | ||
| 425 | D | 39.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 107.5 Ų | 107.5 | 40% | 0.401 | 59% | 0.594 | S | S | . | * | trans | -84.9 | 105.5 | -174.8 | -37.6 | -104.6 | 0 | 0 | 0 | 112.8 | C421 D422 G423 G427 | C421-D425 WeakPolarHBondContact CA-OD2 3.32Å; C421-D425 HydrophobicContact CB-CB 4.09Å; C421-D425 WeakPolarHBondContact CB-OD1 3.28Å; C421-D425 VanDerWaalsContact CB-OD2 3.31Å; C421-D425 WeakPolarHBondContact CB-OD2 3.41Å; C421-D425 VanDerWaalsContact SG-CG 3.59Å; C421-D425 PolarHBondContact SG-OD1 2.8Å; D422-D425 PolarHBondContact N-OD2 3.14Å; G423-D425 PolarHBondContact N-OD2 3.23Å; G423-D425 PolarHBondContact O-N 2.97Å; D425-G427 PolarHBondContact O-N 2.68Å | ||
| 426 | F | 33.9 | Very low | 38.6 | Very low | 189 Ų | 189 | 106.9 Ų | 106.9 | 83% | 0.829 | 60% | 0.602 | S | S | * | * | trans | -75.7 | 79.3 | 158.4 | -81 | -90.2 | 0 | 0 | 0 | 109.4 | ||||
| 427 | G | 33.8 | Very low | 38.6 | Very low | 49 Ų | 49 | 102.2 Ų | 102.2 | 51% | 0.505 | 59% | 0.594 | S | S | . | * | trans | -59 | 163.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D425 L429 | D425-G427 PolarHBondContact O-N 2.68Å; G427-L429 PolarHBondContact O-N 2.94Å | ||
| 428 | Y | 38.5 | Very low | 38.4 | Very low | 189 Ų | 189 | 98.4 Ų | 98.4 | 74% | 0.741 | 55% | 0.554 | S | S | * | * | trans | -53.6 | 99.8 | 177.5 | -101.4 | -107.5 | 0 | 0 | 0 | 111.8 | T430 D441 | Y428-T430 PolarHBondContact O-N 3.33Å; Y428-D441 HydrophobicContact CD1-CB 4.39Å; Y428-D441 WeakPolarHBondContact CD1-OD1 3.21Å; Y428-D441 HydrophobicContact CE1-CB 4.22Å | ||
| 429 | L | 36.5 | Very low | 38.6 | Very low | 61 Ų | 61 | 97.5 Ų | 97.5 | 32% | 0.319 | 54% | 0.538 | S | S | . | . | trans | -82.1 | 94.7 | 173.6 | -63.7 | 175.4 | 0 | 0 | 0 | 108.6 | G427 Y434 L442 | G427-L429 PolarHBondContact O-N 2.94Å; L429-Y434 HydrophobicContact CB-CE2 4.1Å; L429-Y434 HydrophobicContact CD1-CE2 3.86Å; L429-Y434 HydrophobicContact CD2-CE2 4.18Å; L429-Y434 HydrophobicContact CG-CE2 4.26Å; L429-L442 HydrophobicContact CB-CB 4.39Å; L429-L442 HydrophobicContact CB-CD1 3.93Å; L429-L442 VanDerWaalsContact O-CB 3.32Å; L429-L442 WeakPolarHBondContact O-CB 3.4Å; L429-L442 WeakPolarHBondContact O-CD1 3.37Å; L429-L442 VanDerWaalsContact O-CG 3.25Å; L429-L442 WeakPolarHBondContact O-CG 3.41Å; L429-L442 PolarHBondContact O-N 2.89Å | ||
| 430 | T | 39.7 | Very low | 39.1 | Very low | 48 Ų | 48 | 90.4 Ų | 90.4 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 143.6 | 173.7 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | Y428 E432 T433 G440 | Y428-T430 PolarHBondContact O-N 3.33Å; T430-E432 PolarHBondContact O-N 2.88Å; T430-T433 PolarHBondContact O-N 2.78Å; T430-T433 PolarHBondContact O-OG1 3.25Å; T430-G440 WeakPolarHBondContact CA-O 3.21Å |
| 431 | C | 36.4 | Very low | 39.3 | Very low | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -58.4 | -24.3 | -174.2 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | T433 Y434 L435 S438 G440 C455 | C431-T433 PolarHBondContact O-N 3.24Å; C431-T433 VanDerWaalsContact O-N 3.12Å; C431-Y434 PolarHBondContact O-N 2.86Å; C431-Y434 VanDerWaalsContact O-N 3.14Å; C431-L435 PolarHBondContact O-N 3.38Å; C431-S438 WeakPolarHBondContact CB-OG 3.38Å; C431-G440 PolarHBondContact N-O 3.47Å; C431-G440 PolarHBondContact SG-O 3.01Å; C431-C455 HydrophobicContact CB-CB 3.73Å; C431-C455 WeakPolarHBondContact CB-SG 3.23Å; C431-C455 WeakPolarHBondContact SG-CA 3.46Å; C431-C455 WeakPolarHBondContact SG-CB 3.03Å; C431-C455 CovalentContact SG-SG 2.03Å; C431-C455 PolarHBondContact SG-SG 3.15Å |
| 432 | E | 34.9 | Very low | 39.3 | Very low | 140 Ų | 140 | 82.9 Ų | 82.9 | 65% | 0.654 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -51.4 | -34.5 | 174.6 | -65.2 | -170.9 | 123.9 | 0 | 0 | 113.1 | T430 S438 | T430-E432 PolarHBondContact O-N 2.88Å; E432-S438 WeakPolarHBondContact CA-O 3.23Å; E432-S438 PolarHBondContact N-O 3.41Å |
| 433 | T | 38.7 | Very low | 39.8 | Very low | 96 Ų | 96 | 84.7 Ų | 84.7 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -79.6 | -23.5 | -175.1 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | T430 C431 | T430-T433 PolarHBondContact O-N 2.78Å; T430-T433 PolarHBondContact O-OG1 3.25Å; C431-T433 PolarHBondContact O-N 3.24Å; C431-T433 VanDerWaalsContact O-N 3.12Å |
| 434 | Y | 40.9 | Very low | 39.8 | Very low | 130 Ų | 130 | 86.8 Ų | 86.8 | 51% | 0.51 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -31.2 | -179.5 | -79.7 | -97.1 | 0 | 0 | 0 | 113.3 | L429 C431 L442 | L429-Y434 HydrophobicContact CB-CE2 4.1Å; L429-Y434 HydrophobicContact CD1-CE2 3.86Å; L429-Y434 HydrophobicContact CD2-CE2 4.18Å; L429-Y434 HydrophobicContact CG-CE2 4.26Å; C431-Y434 PolarHBondContact O-N 2.86Å; C431-Y434 VanDerWaalsContact O-N 3.14Å; Y434-L442 HydrophobicContact CD2-CD1 3.52Å; Y434-L442 HydrophobicContact CE2-CD1 3.99Å; Y434-L442 HydrophobicContact CG-CD1 3.99Å |
| 435 | L | 45.7 | Very low | 39.6 | Very low | 53 Ų | 53 | 83.5 Ų | 83.5 | 28% | 0.277 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -139.2 | 93.7 | -167.2 | -76.4 | 163.1 | 0 | 0 | 0 | 109.3 | C431 G437 S438 Y457 | C431-L435 PolarHBondContact O-N 3.38Å; L435-G437 PolarHBondContact O-N 3.39Å; L435-S438 WeakPolarHBondContact CB-OG 3.41Å; L435-S438 PolarHBondContact O-N 3.42Å; L435-S438 PolarHBondContact O-OG 3.41Å; L435-Y457 WeakPolarHBondContact CD1-OH 3.27Å; L435-Y457 HydrophobicContact CD2-CE1 4.41Å |
| 436 | P | 42.5 | Very low | 39.2 | Very low | 127 Ų | 127 | 88.7 Ų | 88.7 | 83% | 0.825 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 120.7 | -173.1 | 24.1 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 437 | G | 40.1 | Very low | 39 | Very low | 50 Ų | 50 | 88.3 Ų | 88.3 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | 6.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L435 F458 | L435-G437 PolarHBondContact O-N 3.39Å; G437-F458 PolarHBondContact O-N 3.16Å |
| 438 | S | 42.1 | Very low | 38.9 | Very low | 3 Ų | 3 | 92.3 Ų | 92.3 | 2% | 0.021 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 154.4 | 172 | 73.8 | 0 | 0 | 0 | 0 | 113 | C431 E432 L435 R456 | C431-S438 WeakPolarHBondContact CB-OG 3.38Å; E432-S438 WeakPolarHBondContact CA-O 3.23Å; E432-S438 PolarHBondContact N-O 3.41Å; L435-S438 WeakPolarHBondContact CB-OG 3.41Å; L435-S438 PolarHBondContact O-N 3.42Å; L435-S438 PolarHBondContact O-OG 3.41Å; S438-R456 CarbonylContact C-O 3.51Å; S438-R456 WeakPolarHBondContact CA-O 3.47Å; S438-R456 WeakPolarHBondContact CB-O 3.3Å |
| 439 | Y | 41.4 | Very low | 39 | Very low | 106 Ų | 106 | 89.4 Ų | 89.4 | 42% | 0.416 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.5 | -178.1 | 66.7 | -80.7 | 0 | 0 | 0 | 111 | C455 R456 F458 | Y439-C455 WeakPolarHBondContact O-CA 3.08Å; Y439-R456 HydrophobicContact CD1-CB 4.11Å; Y439-R456 WeakPolarHBondContact CD1-O 3.34Å; Y439-R456 HydrophobicContact CD2-CB 4.44Å; Y439-R456 HydrophobicContact CE1-CB 3.54Å; Y439-R456 HydrophobicContact CE2-CB 3.93Å; Y439-R456 HydrophobicContact CE2-CG 4.46Å; Y439-R456 VanDerWaalsContact CZ-CB 3.45Å; Y439-R456 PolarHBondContact N-O 3.37Å; Y439-R456 PolarHBondContact O-N 3.11Å; Y439-R456 VanDerWaalsContact OH-CD 3.3Å; Y439-R456 WeakPolarHBondContact OH-CD 3.11Å; Y439-F458 HydrophobicContact CE1-CD2 4.15Å |
| 440 | G | 48.1 | Very low | 39.3 | Very low | 24 Ų | 24 | 90.4 Ų | 90.4 | 25% | 0.247 | 47% | 0.469 | C | S | . | . | S | Bend | trans | 137 | 179.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T430 C431 | T430-G440 WeakPolarHBondContact CA-O 3.21Å; C431-G440 PolarHBondContact N-O 3.47Å; C431-G440 PolarHBondContact SG-O 3.01Å |
| 441 | D | 42.3 | Very low | 39.5 | Very low | 75 Ų | 75 | 90 Ų | 90 | 40% | 0.401 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -107.5 | 131.3 | -178 | -57.5 | -41 | 0 | 0 | 0 | 111 | Y428 P454 | Y428-D441 HydrophobicContact CD1-CB 4.39Å; Y428-D441 WeakPolarHBondContact CD1-OD1 3.21Å; Y428-D441 HydrophobicContact CE1-CB 4.22Å; D441-P454 WeakPolarHBondContact O-CB 3.42Å; D441-P454 WeakPolarHBondContact O-CG 3.4Å |
| 442 | L | 38.5 | Very low | 40.2 | Very low | 26 Ų | 26 | 92.7 Ų | 92.7 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 130.7 | 174.9 | -66 | 173.5 | 0 | 0 | 0 | 110.7 | L429 Y434 I450 C455 | L429-L442 HydrophobicContact CB-CB 4.39Å; L429-L442 HydrophobicContact CB-CD1 3.93Å; L429-L442 VanDerWaalsContact O-CB 3.32Å; L429-L442 WeakPolarHBondContact O-CB 3.4Å; L429-L442 WeakPolarHBondContact O-CD1 3.37Å; L429-L442 VanDerWaalsContact O-CG 3.25Å; L429-L442 WeakPolarHBondContact O-CG 3.41Å; L429-L442 PolarHBondContact O-N 2.89Å; Y434-L442 HydrophobicContact CD2-CD1 3.52Å; Y434-L442 HydrophobicContact CE2-CD1 3.99Å; Y434-L442 HydrophobicContact CG-CD1 3.99Å; L442-I450 HydrophobicContact CB-CG2 3.69Å; L442-I450 HydrophobicContact CD1-CG2 4.09Å; L442-I450 HydrophobicContact CD2-CG2 4.08Å; L442-I450 HydrophobicContact CG-CG2 4.17Å; L442-C455 WeakPolarHBondContact CD2-SG 3.12Å |
| 443 | R | 43.1 | Very low | 41.1 | Very low | 175 Ų | 175 | 91.7 Ų | 91.7 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.2 | -179.5 | -72.3 | -174.7 | 171.8 | -158.1 | -4.4 | 111.2 | D451 P454 | R443-D451 HydrophobicContact CB-CB 4.34Å; R443-D451 PolarHBondContact N-O 3.33Å; R443-D451 WeakPolarHBondContact O-CB 3.37Å; R443-D451 PolarHBondContact O-N 3.12Å; R443-P454 HydrophobicContact CG-CG 4.37Å |
| 444 | C | 36.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 89.4 Ų | 89.4 | 71% | 0.709 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 131.4 | 170.1 | -70.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 445 | T | 37.6 | Very low | 42.1 | Very low | 33 Ų | 33 | 83.8 Ų | 83.8 | 20% | 0.202 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 158.5 | 178.2 | 66.4 | 0 | 0 | 0 | 0 | 112 | Y447 C448 Y449 D451 | T445-Y447 PolarHBondContact O-N 2.04Å; T445-C448 PolarHBondContact O-N 3.14Å; T445-C448 VanDerWaalsContact O-N 3.09Å; T445-Y449 HydrophobicContact CG2-CD2 4.06Å; T445-Y449 HydrophobicContact CG2-CE1 4.38Å; T445-Y449 HydrophobicContact CG2-CE2 3.53Å; T445-Y449 PolarHBondContact N-O 3.33Å; T445-Y449 VanDerWaalsContact N-O 3.13Å; T445-Y449 VanDerWaalsContact OG1-CD1 3.27Å; T445-Y449 WeakPolarHBondContact OG1-CD1 3.47Å; T445-Y449 WeakPolarHBondContact OG1-CE1 3.44Å; T445-Y449 PolarHBondContact OG1-N 3Å; T445-Y449 PolarHBondContact OG1-O 2.66Å; T445-D451 HydrophobicContact CG2-CB 3.86Å |
| 446 | Q | 31.6 | Very low | 42.1 | Very low | 183 Ų | 183 | 89.4 Ų | 89.4 | 86% | 0.855 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -14.5 | 177.1 | -66.3 | 176.5 | -11.9 | 0 | 0 | 113.9 | ||
| 447 | Y | 29.6 | Very low | 42.2 | Very low | 181 Ų | 181 | 90.3 Ų | 90.3 | 71% | 0.71 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 17.4 | 179.7 | -55.8 | -72.4 | 0 | 0 | 0 | 113.5 | T445 Y449 | T445-Y447 PolarHBondContact O-N 2.04Å; Y447-Y449 HydrophobicContact CD2-CE1 4.12Å; Y447-Y449 HydrophobicContact CG-CE1 4.41Å; Y447-Y449 PolarHBondContact O-N 2.8Å |
| 448 | C | 32.3 | Very low | 42.1 | Very low | 134 Ų | 134 | 95.7 Ų | 95.7 | 91% | 0.905 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 56.8 | 30.2 | 179.1 | -59.9 | 0 | 0 | 0 | 0 | 114.8 | T445 | T445-C448 PolarHBondContact O-N 3.14Å; T445-C448 VanDerWaalsContact O-N 3.09Å |
| 449 | Y | 39.2 | Very low | 41.8 | Very low | 127 Ų | 127 | 101.7 Ų | 101.7 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | trans | -112.1 | 149.6 | 164.2 | 71.8 | -98.6 | 0 | 0 | 0 | 111.1 | T445 Y447 D451 | T445-Y449 HydrophobicContact CG2-CD2 4.06Å; T445-Y449 HydrophobicContact CG2-CE1 4.38Å; T445-Y449 HydrophobicContact CG2-CE2 3.53Å; T445-Y449 PolarHBondContact N-O 3.33Å; T445-Y449 VanDerWaalsContact N-O 3.13Å; T445-Y449 VanDerWaalsContact OG1-CD1 3.27Å; T445-Y449 WeakPolarHBondContact OG1-CD1 3.47Å; T445-Y449 WeakPolarHBondContact OG1-CE1 3.44Å; T445-Y449 PolarHBondContact OG1-N 3Å; T445-Y449 PolarHBondContact OG1-O 2.66Å; Y447-Y449 HydrophobicContact CD2-CE1 4.12Å; Y447-Y449 HydrophobicContact CG-CE1 4.41Å; Y447-Y449 PolarHBondContact O-N 2.8Å; Y449-D451 HydrophobicContact CE2-CB 4.23Å | ||
| 450 | I | 43.8 | Very low | 41.8 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.1 | 176 | -55.7 | 177.3 | 0 | 0 | 0 | 108 | L442 | L442-I450 HydrophobicContact CB-CG2 3.69Å; L442-I450 HydrophobicContact CD1-CG2 4.09Å; L442-I450 HydrophobicContact CD2-CG2 4.08Å; L442-I450 HydrophobicContact CG-CG2 4.17Å |
| 451 | D | 43.2 | Very low | 41.5 | Very low | 41 Ų | 41 | 105.6 Ų | 105.6 | 22% | 0.219 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.1 | 175.2 | -172.5 | -3.6 | 0 | 0 | 0 | 110.5 | R443 T445 Y449 T453 | R443-D451 HydrophobicContact CB-CB 4.34Å; R443-D451 PolarHBondContact N-O 3.33Å; R443-D451 WeakPolarHBondContact O-CB 3.37Å; R443-D451 PolarHBondContact O-N 3.12Å; T445-D451 HydrophobicContact CG2-CB 3.86Å; Y449-D451 HydrophobicContact CE2-CB 4.23Å; D451-T453 VanDerWaalsContact CG-OG1 3.26Å; D451-T453 VanDerWaalsContact OD1-CB 3.32Å; D451-T453 WeakPolarHBondContact OD1-CB 3.24Å; D451-T453 VanDerWaalsContact OD1-CG2 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.5Å; D451-T453 PolarHBondContact OD1-N 3.08Å; D451-T453 PolarHBondContact OD1-OG1 2.62Å; D451-T453 PolarHBondContact OD2-OG1 3.37Å |
| 452 | S | 51.3 | Low | 41.4 | Very low | 55 Ų | 55 | 107.3 Ų | 107.3 | 39% | 0.385 | 53% | 0.531 | S | S | . | . | trans | -111.5 | 9.8 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | P454 C455 | S452-P454 VanDerWaalsContact C-N 3.26Å; S452-C455 WeakPolarHBondContact O-CB 3.44Å; S452-C455 PolarHBondContact O-N 3.43Å; S452-C455 PolarHBondContact O-SG 3.39Å; S452-C455 VanDerWaalsContact O-SG 3.38Å | ||
| 453 | T | 54 | Low | 41.6 | Very low | 119 Ų | 119 | 112.1 Ų | 112.1 | 73% | 0.73 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -25.7 | 171.1 | 57 | 0 | 0 | 0 | 0 | 115 | D451 C455 | D451-T453 VanDerWaalsContact CG-OG1 3.26Å; D451-T453 VanDerWaalsContact OD1-CB 3.32Å; D451-T453 WeakPolarHBondContact OD1-CB 3.24Å; D451-T453 VanDerWaalsContact OD1-CG2 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.5Å; D451-T453 PolarHBondContact OD1-N 3.08Å; D451-T453 PolarHBondContact OD1-OG1 2.62Å; D451-T453 PolarHBondContact OD2-OG1 3.37Å; T453-C455 VanDerWaalsContact C-N 3.27Å; T453-C455 PolarHBondContact O-N 3.41Å |
| 454 | P | 53.3 | Low | 41.5 | Very low | 49 Ų | 49 | 108.1 Ų | 108.1 | 32% | 0.318 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14 | 171.6 | -18 | 33.5 | 0 | 0 | 0 | 114.2 | D441 R443 S452 R456 | D441-P454 WeakPolarHBondContact O-CB 3.42Å; D441-P454 WeakPolarHBondContact O-CG 3.4Å; R443-P454 HydrophobicContact CG-CG 4.37Å; S452-P454 VanDerWaalsContact C-N 3.26Å; P454-R456 PolarHBondContact O-N 2.88Å |
| 455 | C | 47.3 | Very low | 41.9 | Very low | 11 Ų | 11 | 108.3 Ų | 108.3 | 7% | 0.074 | 54% | 0.537 | C | S | . | . | trans | -71.4 | 114.2 | -177.3 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | C431 Y439 L442 S452 T453 | C431-C455 HydrophobicContact CB-CB 3.73Å; C431-C455 WeakPolarHBondContact CB-SG 3.23Å; C431-C455 WeakPolarHBondContact SG-CA 3.46Å; C431-C455 WeakPolarHBondContact SG-CB 3.03Å; C431-C455 CovalentContact SG-SG 2.03Å; C431-C455 PolarHBondContact SG-SG 3.15Å; Y439-C455 WeakPolarHBondContact O-CA 3.08Å; L442-C455 WeakPolarHBondContact CD2-SG 3.12Å; S452-C455 WeakPolarHBondContact O-CB 3.44Å; S452-C455 PolarHBondContact O-N 3.43Å; S452-C455 PolarHBondContact O-SG 3.39Å; S452-C455 VanDerWaalsContact O-SG 3.38Å; T453-C455 VanDerWaalsContact C-N 3.27Å; T453-C455 PolarHBondContact O-N 3.41Å | ||
| 456 | R | 45.1 | Very low | 42.2 | Very low | 172 Ų | 172 | 113.7 Ų | 113.7 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.4 | 169.5 | -68.5 | -177.4 | 178.3 | -174.2 | -0 | 109.7 | S438 Y439 P454 | S438-R456 CarbonylContact C-O 3.51Å; S438-R456 WeakPolarHBondContact CA-O 3.47Å; S438-R456 WeakPolarHBondContact CB-O 3.3Å; Y439-R456 HydrophobicContact CD1-CB 4.11Å; Y439-R456 WeakPolarHBondContact CD1-O 3.34Å; Y439-R456 HydrophobicContact CD2-CB 4.44Å; Y439-R456 HydrophobicContact CE1-CB 3.54Å; Y439-R456 HydrophobicContact CE2-CB 3.93Å; Y439-R456 HydrophobicContact CE2-CG 4.46Å; Y439-R456 VanDerWaalsContact CZ-CB 3.45Å; Y439-R456 PolarHBondContact N-O 3.37Å; Y439-R456 PolarHBondContact O-N 3.11Å; Y439-R456 VanDerWaalsContact OH-CD 3.3Å; Y439-R456 WeakPolarHBondContact OH-CD 3.11Å; P454-R456 PolarHBondContact O-N 2.88Å |
| 457 | Y | 45.7 | Very low | 43 | Very low | 145 Ų | 145 | 108.4 Ų | 108.4 | 57% | 0.569 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.4 | 173.2 | -68.4 | -96.4 | 0 | 0 | 0 | 110.6 | L435 | L435-Y457 WeakPolarHBondContact CD1-OH 3.27Å; L435-Y457 HydrophobicContact CD2-CE1 4.41Å |
| 458 | F | 37.2 | Very low | 44.1 | Very low | 163 Ų | 163 | 102.3 Ų | 102.3 | 72% | 0.715 | 52% | 0.523 | S | S | * | . | trans | -104.3 | 153.2 | 161.9 | -133 | -86.4 | 0 | 0 | 0 | 109.5 | G437 Y439 | G437-F458 PolarHBondContact O-N 3.16Å; Y439-F458 HydrophobicContact CE1-CD2 4.15Å | ||
| 459 | T | 36.4 | Very low | 45.1 | Very low | 130 Ų | 130 | 99.5 Ų | 99.5 | 80% | 0.798 | 49% | 0.489 | S | S | * | . | trans | -135 | 0 | -160.6 | 68 | 0 | 0 | 0 | 0 | 114.4 | R347 | R347-T459 VanDerWaalsContact CZ-CB 3.48Å; R347-T459 VanDerWaalsContact NH1-CB 3.27Å; R347-T459 PolarHBondContact NH1-OG1 3.48Å; R347-T459 PolarHBondContact NH2-OXT 3.36Å |
Retrieved 459 of 459 residues in 130.6 ms
(Link to these results)