| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.8 | Very low | 47.8 | Very low | 246 Ų | 246 | 141.2 Ų | 141.2 | 100% | 1.212 | 75% | 0.754 | S | S | * | * | 0 | 88.9 | 0 | -69.8 | -179.8 | 141.5 | 0 | 0 | 107.2 | |||||
| 2 | L | 45.3 | Very low | 47.5 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -82.9 | 135.3 | 173.8 | -79.3 | 113.2 | 0 | 0 | 0 | 108.4 | ||||
| 3 | S | 48 | Very low | 47 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | trans | -66.4 | 144.1 | -172.1 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | A5 D6 | S3-A5 PolarHBondContact O-N 3.02Å; S3-D6 PolarHBondContact O-N 3.42Å; S3-D6 VanDerWaalsContact O-N 3.15Å | ||
| 4 | H | 50.8 | Low | 47 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -8.2 | 176.5 | -173.3 | -105.2 | 0 | 0 | 0 | 114 | ||
| 5 | A | 54.1 | Low | 46.8 | Very low | 70 Ų | 70 | 142 Ų | 142 | 58% | 0.579 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -28.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | S3 L7 | S3-A5 PolarHBondContact O-N 3.02Å; A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 3.47Å |
| 6 | D | 47.4 | Very low | 46.5 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -13.2 | -177 | -92.8 | -73.5 | 0 | 0 | 0 | 113.9 | S3 | S3-D6 PolarHBondContact O-N 3.42Å; S3-D6 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 49.9 | Very low | 46.5 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -11 | 179.6 | -154.1 | 80.5 | 0 | 0 | 0 | 113.3 | A5 | A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 3.47Å |
| 8 | L | 49.1 | Very low | 46.5 | Very low | 120 Ų | 120 | 136 Ų | 136 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -93.7 | -18.1 | -179.5 | -67 | 177.3 | 0 | 0 | 0 | 113.3 | ||
| 9 | D | 42.9 | Very low | 46.4 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -78.2 | -23.5 | 177.5 | -153.9 | 63.8 | 0 | 0 | 0 | 112.5 | R11 | D9-R11 PolarHBondContact O-N 3.29Š|
| 10 | A | 45.3 | Very low | 46.6 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -76.2 | -0.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 11 | R | 44.8 | Very low | 46.6 | Very low | 220 Ų | 220 | 127.6 Ų | 127.6 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -110.4 | 1.8 | -175.8 | -156.1 | 77.3 | 179.1 | -152.3 | 0.5 | 114.3 | D9 | D9-R11 PolarHBondContact O-N 3.29Š|
| 12 | L | 44.6 | Very low | 46.8 | Very low | 158 Ų | 158 | 121.3 Ų | 121.3 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -115.4 | 12.4 | 179.4 | -69.2 | 178.5 | 0 | 0 | 0 | 114.6 | ||
| 13 | G | 41.5 | Very low | 47.2 | Very low | 65 Ų | 65 | 118.7 Ų | 118.7 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -89.7 | -8.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 14 | E | 46.1 | Very low | 47.2 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -125.5 | 46.8 | -164.8 | -88.5 | -70.6 | 138.7 | 0 | 0 | 114.3 | ||
| 15 | L | 44.5 | Very low | 47.3 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 92% | 0.916 | 68% | 0.677 | S | S | * | * | trans | -147.4 | 53.2 | 163.3 | -78.6 | -179.8 | 0 | 0 | 0 | 112.3 | ||||
| 16 | S | 41.9 | Very low | 47.2 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | -120.5 | 66.3 | 159.7 | -162.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | S | 46.1 | Very low | 47.7 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 54% | 0.538 | 67% | 0.666 | S | S | . | * | trans | -71.8 | 126.6 | 164.3 | -165.5 | 0 | 0 | 0 | 0 | 107.9 | N19 S20 | S17-N19 PolarHBondContact O-N 3.1Å; S17-S20 PolarHBondContact O-N 3.28Å | ||
| 18 | P | 46.7 | Very low | 47.9 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 81% | 0.812 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 13 | -177.9 | 26.8 | -34 | 0 | 0 | 0 | 114.2 | ||
| 19 | N | 45.3 | Very low | 48 | Very low | 94 Ų | 94 | 121 Ų | 121 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.4 | -8.3 | -173.7 | -144.4 | -22.8 | 0 | 0 | 0 | 113.6 | S17 Q23 | S17-N19 PolarHBondContact O-N 3.1Å; N19-Q23 PolarHBondContact O-N 3.03Å |
| 20 | S | 50.6 | Low | 48.6 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.9 | -34.6 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | S17 Q23 L24 | S17-S20 PolarHBondContact O-N 3.28Å; S20-Q23 PolarHBondContact O-N 3.33Å; S20-L24 PolarHBondContact O-N 2.95Å; S20-L24 VanDerWaalsContact O-N 3.16Å |
| 21 | G | 46.4 | Very low | 49 | Very low | 50 Ų | 50 | 115.1 Ų | 115.1 | 52% | 0.515 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.5 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L24 Y25 | G21-L24 PolarHBondContact O-N 3.26Å; G21-Y25 PolarHBondContact O-N 3.47Å |
| 22 | L | 51 | Low | 49.5 | Very low | 115 Ų | 115 | 107.6 Ų | 107.6 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.8 | -27.5 | 178 | -68.1 | 175.1 | 0 | 0 | 0 | 112.5 | W26 | L22-W26 PolarHBondContact O-N 2.86Å |
| 23 | Q | 53.6 | Low | 49.8 | Very low | 108 Ų | 108 | 106.4 Ų | 106.4 | 51% | 0.505 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.8 | -34.1 | 174.8 | -164.6 | 141.2 | 2.3 | 0 | 0 | 112 | N19 S20 W26 M27 | N19-Q23 PolarHBondContact O-N 3.03Å; S20-Q23 PolarHBondContact O-N 3.33Å; Q23-W26 PolarHBondContact O-N 2.89Å; Q23-M27 PolarHBondContact O-N 3.2Å; Q23-M27 VanDerWaalsContact O-N 3.12Å |
| 24 | L | 49.1 | Very low | 50.4 | Low | 102 Ų | 102 | 110.1 Ų | 110.1 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.5 | -38 | 174.9 | -168.1 | 65.6 | 0 | 0 | 0 | 112.3 | S20 G21 W26 M27 K28 | S20-L24 PolarHBondContact O-N 2.95Å; S20-L24 VanDerWaalsContact O-N 3.16Å; G21-L24 PolarHBondContact O-N 3.26Å; L24-W26 VanDerWaalsContact C-N 3.3Å; L24-W26 PolarHBondContact O-N 3.45Å; L24-M27 PolarHBondContact O-N 3.35Å; L24-K28 WeakPolarHBondContact O-CG 3.49Å; L24-K28 PolarHBondContact O-N 3Å; L24-K28 VanDerWaalsContact O-N 3.08Å |
| 25 | Y | 52.7 | Low | 50.6 | Low | 169 Ų | 169 | 108.1 Ų | 108.1 | 66% | 0.663 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.1 | -37.1 | 174.3 | -163 | -103.1 | 0 | 0 | 0 | 111.7 | G21 K28 D29 | G21-Y25 PolarHBondContact O-N 3.47Å; Y25-K28 PolarHBondContact O-N 3.31Å; Y25-D29 PolarHBondContact O-N 2.88Å; Y25-D29 VanDerWaalsContact O-N 3.11Å |
| 26 | W | 51.3 | Low | 50.7 | Low | 86 Ų | 86 | 101.9 Ų | 101.9 | 33% | 0.326 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.1 | -34.5 | 174.1 | -114.2 | 74.2 | 0 | 0 | 0 | 114.4 | L22 Q23 L24 A30 Y138 W169 K170 | L22-W26 PolarHBondContact O-N 2.86Å; Q23-W26 PolarHBondContact O-N 2.89Å; L24-W26 VanDerWaalsContact C-N 3.3Å; L24-W26 PolarHBondContact O-N 3.45Å; W26-A30 VanDerWaalsContact O-CB 3.25Å; W26-A30 WeakPolarHBondContact O-CB 3.42Å; W26-A30 PolarHBondContact O-N 3.42Å; W26-A30 VanDerWaalsContact O-N 3.09Å; W26-Y138 VanDerWaalsContact CZ2-OH 3.32Å; W26-Y138 WeakPolarHBondContact CZ2-OH 3.41Å; W26-Y138 AromaticContact NE1-CE2 3.63Å; W26-Y138 AromaticContact NE1-CZ 3.77Å; W26-Y138 PolarHBondContact NE1-OH 3.26Å; W26-Y138 VanDerWaalsContact NE1-OH 3.1Å; W26-W169 AromaticContact CH2-CZ3 3.93Å; W26-W169 HydrophobicContact CH2-CZ3 3.93Å; W26-W169 HydrophobicContact CZ2-CE3 4.44Å; W26-W169 AromaticContact CZ2-CZ3 3.8Å; W26-W169 HydrophobicContact CZ2-CZ3 3.8Å; W26-W169 HydrophobicContact CZ3-CZ3 4.41Å; W26-K170 HydrophobicContact CH2-CB 4.43Å; W26-K170 HydrophobicContact CH2-CD 3.83Å; W26-K170 HydrophobicContact CH2-CG 4.13Å; W26-K170 HydrophobicContact CZ3-CD 4.25Å; W26-K170 HydrophobicContact CZ3-CG 4.48Å |
| 27 | M | 59.3 | Low | 50.8 | Low | 131 Ų | 131 | 102.1 Ų | 102.1 | 65% | 0.645 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.8 | -35.2 | 174.7 | -76.7 | 170.9 | 84.7 | 0 | 0 | 111.8 | Q23 L24 A31 | Q23-M27 PolarHBondContact O-N 3.2Å; Q23-M27 VanDerWaalsContact O-N 3.12Å; L24-M27 PolarHBondContact O-N 3.35Å; M27-A31 WeakPolarHBondContact O-CB 3.4Å; M27-A31 PolarHBondContact O-N 3.05Å |
| 28 | K | 52.6 | Low | 50.8 | Low | 145 Ų | 145 | 108 Ų | 108 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.2 | -40.5 | 177.1 | -72.1 | -179.1 | 173.3 | -157.2 | 0 | 112.3 | L24 Y25 A31 A32 | L24-K28 WeakPolarHBondContact O-CG 3.49Å; L24-K28 PolarHBondContact O-N 3Å; L24-K28 VanDerWaalsContact O-N 3.08Å; Y25-K28 PolarHBondContact O-N 3.31Å; K28-A31 PolarHBondContact O-N 3.2Å; K28-A32 PolarHBondContact O-N 2.7Å; K28-A32 VanDerWaalsContact O-N 3.16Å |
| 29 | D | 51.9 | Low | 50.6 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.7 | -37.5 | 178 | -155.1 | 62 | 0 | 0 | 0 | 112.2 | Y25 A31 A32 E33 | Y25-D29 PolarHBondContact O-N 2.88Å; Y25-D29 VanDerWaalsContact O-N 3.11Å; D29-A31 VanDerWaalsContact C-N 3.33Å; D29-A31 PolarHBondContact O-N 2.87Å; D29-A32 PolarHBondContact O-N 3.38Å; D29-E33 PolarHBondContact O-N 3.11Å |
| 30 | A | 56.3 | Low | 50.6 | Low | 48 Ų | 48 | 107.8 Ų | 107.8 | 40% | 0.397 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -30.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W26 L34 | W26-A30 VanDerWaalsContact O-CB 3.25Å; W26-A30 WeakPolarHBondContact O-CB 3.42Å; W26-A30 PolarHBondContact O-N 3.42Å; W26-A30 VanDerWaalsContact O-N 3.09Å; A30-L34 PolarHBondContact O-N 3.18Å |
| 31 | A | 52.3 | Low | 50.3 | Low | 58 Ų | 58 | 111 Ų | 111 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73 | -35.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | M27 K28 D29 E33 L34 L35 | M27-A31 WeakPolarHBondContact O-CB 3.4Å; M27-A31 PolarHBondContact O-N 3.05Å; K28-A31 PolarHBondContact O-N 3.2Å; D29-A31 VanDerWaalsContact C-N 3.33Å; D29-A31 PolarHBondContact O-N 2.87Å; A31-E33 VanDerWaalsContact C-N 3.34Å; A31-L34 PolarHBondContact O-N 2.98Å; A31-L35 PolarHBondContact O-N 2.95Å |
| 32 | A | 54.7 | Low | 50.1 | Low | 61 Ų | 61 | 117.4 Ų | 117.4 | 50% | 0.504 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.5 | -37.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K28 D29 L35 G36 | K28-A32 PolarHBondContact O-N 2.7Å; K28-A32 VanDerWaalsContact O-N 3.16Å; D29-A32 PolarHBondContact O-N 3.38Å; A32-L35 PolarHBondContact O-N 3.32Å; A32-G36 PolarHBondContact O-N 3.47Å |
| 33 | E | 52.2 | Low | 49.7 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.7 | -32.2 | 176.2 | -125 | -161.8 | 159.9 | 0 | 0 | 113.2 | D29 A31 L35 G36 H37 | D29-E33 PolarHBondContact O-N 3.11Å; A31-E33 VanDerWaalsContact C-N 3.34Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-G36 PolarHBondContact O-N 3.45Å; E33-H37 PolarHBondContact O-N 2.95Å |
| 34 | L | 53.8 | Low | 49.3 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 75% | 0.749 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71 | -26.9 | 173.7 | -89.9 | 170.1 | 0 | 0 | 0 | 113 | A30 A31 | A30-L34 PolarHBondContact O-N 3.18Å; A31-L34 PolarHBondContact O-N 2.98Å |
| 35 | L | 50.5 | Low | 49.2 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.2 | -31.7 | 173.6 | -163.8 | 62.8 | 0 | 0 | 0 | 112.1 | A31 A32 E33 | A31-L35 PolarHBondContact O-N 2.95Å; A32-L35 PolarHBondContact O-N 3.32Å; E33-L35 VanDerWaalsContact C-N 3.32Å |
| 36 | G | 46.9 | Very low | 48.5 | Very low | 44 Ų | 44 | 123.1 Ų | 123.1 | 45% | 0.454 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -75.2 | -19.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A32 E33 R38 E39 | A32-G36 PolarHBondContact O-N 3.47Å; E33-G36 PolarHBondContact O-N 3.45Å; G36-R38 VanDerWaalsContact C-N 3.28Å; G36-R38 PolarHBondContact O-N 3.5Å; G36-E39 PolarHBondContact O-N 3.41Å |
| 37 | H | 44 | Very low | 47.9 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 56% | 0.556 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -8.9 | -177 | -114.5 | -85.2 | 0 | 0 | 0 | 115.2 | E33 | E33-H37 PolarHBondContact O-N 2.95Š|
| 38 | R | 45.5 | Very low | 47.1 | Very low | 201 Ų | 201 | 120.3 Ų | 120.3 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -27.3 | 173.4 | -95.3 | 178.1 | 65.7 | -158.4 | -0.7 | 113.6 | G36 | G36-R38 VanDerWaalsContact C-N 3.28Å; G36-R38 PolarHBondContact O-N 3.5Å |
| 39 | E | 43.3 | Very low | 46.6 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -22.8 | -177.7 | -62.2 | -62 | 117.5 | 0 | 0 | 112.4 | G36 L41 K42 | G36-E39 PolarHBondContact O-N 3.41Å; E39-L41 PolarHBondContact O-N 3.45Å; E39-K42 PolarHBondContact O-N 2.95Å |
| 40 | A | 44.3 | Very low | 46 | Very low | 71 Ų | 71 | 118.1 Ų | 118.1 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -7.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 41 | L | 44.1 | Very low | 45.1 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 80% | 0.801 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -1.6 | 176.1 | -67.8 | 176.4 | 0 | 0 | 0 | 113.7 | E39 | E39-L41 PolarHBondContact O-N 3.45Š|
| 42 | K | 42.7 | Very low | 44.6 | Very low | 186 Ų | 186 | 126 Ų | 126 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -104.5 | 5.5 | -177.4 | -164.5 | 147.1 | 177.2 | 178.6 | 0 | 115.9 | E39 | E39-K42 PolarHBondContact O-N 2.95Š|
| 43 | C | 42.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -107.1 | 19.4 | 177.2 | -62.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 44 | R | 46.4 | Very low | 43.2 | Very low | 230 Ų | 230 | 125.6 Ų | 125.6 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -120.3 | 27.4 | -177.1 | -142.7 | 176.4 | -153.3 | -120.6 | 0.5 | 115.9 | ||
| 45 | L | 47.5 | Very low | 42.6 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | trans | -145 | 128.6 | 162.8 | -89.3 | 112.1 | 0 | 0 | 0 | 110.6 | ||||
| 46 | G | 37.2 | Very low | 42.1 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 115 | 95 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 47 | G | 38.2 | Very low | 41.6 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | cis | 107.4 | 91.5 | 40.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 48 | G | 42.9 | Very low | 41 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -75.9 | 139.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 49 | V | 41.3 | Very low | 40.8 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -147 | 126.5 | 157.7 | -175 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 50 | G | 40.8 | Very low | 40.6 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 51 | S | 37.2 | Very low | 41.1 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -177 | 139.8 | 133.7 | -77.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 52 | D | 41.2 | Very low | 40.8 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -39.8 | 159.5 | 165.6 | -140.5 | -97.2 | 0 | 0 | 0 | 114.8 | G54 | D52-G54 PolarHBondContact OD1-N 3.25Å; D52-G54 VanDerWaalsContact OD1-N 3.15Å | ||
| 53 | P | 44.8 | Very low | 41.8 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -134.6 | 110.6 | 136.7 | 33.3 | -18.1 | 0 | 0 | 0 | 112.4 | ||||
| 54 | G | 33.3 | Very low | 41.4 | Very low | 54 Ų | 54 | 121.9 Ų | 121.9 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | trans | -106.3 | 138.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D52 | D52-G54 PolarHBondContact OD1-N 3.25Å; D52-G54 VanDerWaalsContact OD1-N 3.15Å | ||
| 55 | H | 41.4 | Very low | 41.1 | Very low | 186 Ų | 186 | 116.6 Ų | 116.6 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | 81.3 | 120.6 | 148.8 | -95.7 | 73.1 | 0 | 0 | 0 | 122.2 | ||||
| 56 | S | 38.6 | Very low | 40.8 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | -165.7 | 110.5 | 119.1 | -70.7 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 57 | G | 37.7 | Very low | 41.1 | Very low | 71 Ų | 71 | 118.7 Ų | 118.7 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | 84.5 | 135.1 | 92.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 58 | E | 31.1 | Very low | 41.2 | Very low | 170 Ų | 170 | 118.6 Ų | 118.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | cis | 169.5 | 126.8 | 31.9 | -150.5 | -168.2 | 71.2 | 0 | 0 | 102.4 | ||||
| 59 | L | 40.2 | Very low | 41.1 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | 158 | 142.3 | 88.6 | -80.1 | 168.6 | 0 | 0 | 0 | 107.7 | |||||
| 60 | A | 39.7 | Very low | 41 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -111.4 | 166.9 | 156 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 61 | P | 54.5 | Low | 41 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | cis | -144.9 | -176 | 44.4 | 31.2 | -4.7 | 0 | 0 | 0 | 115.9 | ||||
| 62 | G | 37.8 | Very low | 41.3 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -69.1 | -151.5 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 63 | P | 64.6 | Low | 42 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -134.4 | -160.9 | 2.8 | 32.2 | -6.3 | 0 | 0 | 0 | 114.1 | ||||
| 64 | D | 33.7 | Very low | 41.8 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 103 | 106.8 | 157.7 | -75.1 | -69.1 | 0 | 0 | 0 | 122.1 | ||||
| 65 | T | 38.6 | Very low | 42.2 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | 71.8 | 142.6 | 111.4 | -53 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 66 | V | 43.2 | Very low | 42.2 | Very low | 115 Ų | 115 | 124 Ų | 124 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | trans | 88.2 | 108.4 | 156.4 | 62.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 67 | E | 43.1 | Very low | 42.7 | Very low | 191 Ų | 191 | 125.9 Ų | 125.9 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | 30.8 | 144.6 | 130.5 | -47.3 | -177.7 | 148 | 0 | 0 | 120.2 | ||||
| 68 | G | 40.6 | Very low | 42.7 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | -177.4 | -175.2 | 10.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 69 | A | 39.6 | Very low | 43.1 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | cis | -168.7 | 148.3 | 4.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 70 | T | 40 | Very low | 42.8 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 171.4 | 105.1 | 134 | -83 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 71 | M | 40.7 | Very low | 42.5 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | 55.9 | 113.8 | 137.7 | -52.4 | -62.5 | -160.7 | 0 | 0 | 121.7 | ||||
| 72 | L | 42.1 | Very low | 41.7 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -84.9 | -164.6 | 149.9 | -55 | 170.2 | 0 | 0 | 0 | 109.5 | ||||
| 73 | P | 57.4 | Low | 42 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -142 | 178.4 | -11.2 | 27.7 | -2.9 | 0 | 0 | 0 | 116.6 | ||||
| 74 | G | 39.7 | Very low | 41.4 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | trans | 91.6 | 147.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 75 | D | 41.8 | Very low | 41.7 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | cis | -165.4 | 174.4 | 5.5 | -80.2 | -55.1 | 0 | 0 | 0 | 110.4 | ||||
| 76 | D | 41.2 | Very low | 41.5 | Very low | 140 Ų | 140 | 125 Ų | 125 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -56 | 171.1 | -168 | -57 | -94.3 | 0 | 0 | 0 | 122.3 | ||||
| 77 | I | 48.5 | Very low | 41.4 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | 170.1 | 109.2 | 128.8 | -82.5 | 157.3 | 0 | 0 | 0 | 107.5 | |||||
| 78 | N | 38.9 | Very low | 41.1 | Very low | 145 Ų | 145 | 128 Ų | 128 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | 73 | 136.8 | 72.6 | -164.3 | 23.2 | 0 | 0 | 0 | 116.4 | |||||
| 79 | N | 40.1 | Very low | 41 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | 92.5 | 131.2 | 154 | -145.4 | 34.1 | 0 | 0 | 0 | 116.8 | ||||
| 80 | G | 32.1 | Very low | 40.8 | Very low | 64 Ų | 64 | 133.6 Ų | 133.6 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | cis | 174.2 | 143.1 | 5.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 81 | G | 35.1 | Very low | 41 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 82 | S | 37.7 | Very low | 40.8 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -173.6 | 123.1 | 147 | -78.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 83 | N | 43.8 | Very low | 40.4 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 162.4 | 155.1 | -88.4 | -18 | 0 | 0 | 0 | 110.1 | ||||
| 84 | P | 51.1 | Low | 39.7 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -138.9 | 157.1 | 117.8 | 33.7 | -19.4 | 0 | 0 | 0 | 114.8 | |||||
| 85 | S | 40.3 | Very low | 39.7 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 152.9 | 173.7 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 86 | G | 33.9 | Very low | 39.6 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 127.6 | 132.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 87 | M | 41.4 | Very low | 39.8 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 86.7 | 96.7 | 157.3 | -52.6 | 164.6 | 106.7 | 0 | 0 | 116.5 | ||||
| 88 | Q | 37.7 | Very low | 39.4 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | 68.3 | 107.6 | 74.5 | -167.2 | 178.7 | 53.4 | 0 | 0 | 114.3 | |||||
| 89 | V | 38.8 | Very low | 39.3 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | -161 | 140.5 | 125.7 | -166.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 90 | N | 35.2 | Very low | 39.4 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 148.3 | -174.1 | -166.3 | 29.3 | 0 | 0 | 0 | 116 | ||||
| 91 | S | 43 | Very low | 39.7 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -171.5 | 107.2 | 142.3 | -82 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 92 | K | 37.6 | Very low | 39.8 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 39.3 | 141.8 | 143.7 | -65.3 | 172.1 | 174 | 173.1 | 0 | 120 | ||||
| 93 | E | 33.8 | Very low | 39.9 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | 177.4 | 149.5 | -12.4 | 171.8 | 147.3 | 64.6 | 0 | 0 | 105.4 | ||||
| 94 | Q | 42.3 | Very low | 39.7 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | 85.9 | 104 | 159 | -82.3 | 157 | 32.3 | 0 | 0 | 122.7 | ||||
| 95 | Q | 40.1 | Very low | 39.3 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | 54.9 | 127.7 | 124.8 | -67.7 | 167.5 | 3.7 | 0 | 0 | 118.7 | |||||
| 96 | D | 40.1 | Very low | 39.5 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | cis | -155.6 | 148.1 | 38 | -126.9 | -44.2 | 0 | 0 | 0 | 112.5 | ||||
| 97 | K | 44.9 | Very low | 39.6 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -118.1 | 131.9 | 176.3 | -97.8 | -170.8 | 176.1 | -165.2 | 0 | 109 | ||||
| 98 | Q | 39.4 | Very low | 39.9 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 173.8 | 135.1 | 138.7 | -101.1 | 162.8 | 21.4 | 0 | 0 | 108.3 | ||||
| 99 | Q | 38.2 | Very low | 40.1 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | cis | -167.1 | 141.3 | 13.7 | -159.4 | 149.6 | 17.8 | 0 | 0 | 108.9 | ||||
| 100 | Q | 41.5 | Very low | 40.8 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -113.5 | 160.7 | 162.1 | -97.9 | -175.2 | -3.6 | 0 | 0 | 108.9 | ||||
| 101 | N | 38.3 | Very low | 41.6 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 86.8 | 138.3 | 175.4 | -72.3 | -7.3 | 0 | 0 | 0 | 116.1 | ||||
| 102 | N | 37.6 | Very low | 42.4 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -164.7 | 155 | 14.7 | -134 | -2.5 | 0 | 0 | 0 | 111.9 | ||||
| 103 | S | 38.4 | Very low | 43.6 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | 42.3 | 118 | 141.9 | 65.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 104 | S | 41.2 | Very low | 45.3 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 43.9 | 107.7 | 134 | 52.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 105 | Q | 42.1 | Very low | 47 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -148.2 | 128 | 147.3 | -160.6 | 97.2 | 26.3 | 0 | 0 | 109.8 | G107 | Q105-G107 PolarHBondContact O-N 2.93Š| ||
| 106 | S | 43.8 | Very low | 48.9 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -58.7 | 127.1 | 168.7 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 107 | G | 35.9 | Very low | 50.9 | Low | 56 Ų | 56 | 153.4 Ų | 153.4 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | trans | -161.5 | 100.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q105 S109 | Q105-G107 PolarHBondContact O-N 2.93Å; G107-S109 PolarHBondContact O-N 3.42Å; G107-S109 PolarHBondContact O-OG 2.87Å | ||
| 108 | G | 47.8 | Very low | 53.1 | Low | 94 Ų | 94 | 155.4 Ų | 155.4 | 97% | 0.969 | 81% | 0.807 | S | S | * | * | trans | -52.3 | 102.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 109 | S | 43.3 | Very low | 55.6 | Low | 105 Ų | 105 | 149.2 Ų | 149.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -118.8 | 108.4 | 175.4 | 26 | 0 | 0 | 0 | 0 | 106.2 | G107 S111 | G107-S109 PolarHBondContact O-N 3.42Å; G107-S109 PolarHBondContact O-OG 2.87Å; S109-S111 PolarHBondContact O-N 2.96Å | ||
| 110 | Q | 52 | Low | 58.4 | Low | 192 Ų | 192 | 152.1 Ų | 152.1 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -49.4 | 111.5 | 175.5 | -64.2 | -158.7 | -27.1 | 0 | 0 | 108.8 | Q112 | Q110-Q112 PolarHBondContact O-N 3.39Š| ||
| 111 | S | 53.3 | Low | 61 | Low | 112 Ų | 112 | 146.7 Ų | 146.7 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 87.4 | 175.1 | 50.1 | 0 | 0 | 0 | 0 | 107.9 | S109 K113 | S109-S111 PolarHBondContact O-N 2.96Å; S111-K113 PolarHBondContact O-N 2.84Å | ||
| 112 | Q | 60 | Low | 63.9 | Low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | trans | -51.5 | 110.7 | 165.6 | -74.3 | -151.4 | -2.9 | 0 | 0 | 106.9 | Q110 Q114 | Q110-Q112 PolarHBondContact O-N 3.39Å; Q112-Q114 VanDerWaalsContact C-N 3.33Å; Q112-Q114 PolarHBondContact O-N 3.33Å | ||
| 113 | K | 61.5 | Low | 66.7 | Low | 207 Ų | 207 | 141.8 Ų | 141.8 | 90% | 0.9 | 74% | 0.741 | S | S | * | * | trans | -51.2 | 96.2 | 179.5 | -81.7 | 168 | 175.2 | 167.7 | 0 | 108.9 | S111 K115 | S111-K113 PolarHBondContact O-N 2.84Å; K113-K115 PolarHBondContact O-N 3.06Å | ||
| 114 | Q | 69.9 | Low | 69.6 | Low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | -59.8 | 114.6 | 173.9 | -81.6 | -174.5 | -10.7 | 0 | 0 | 107.8 | Q112 R116 | Q112-Q114 VanDerWaalsContact C-N 3.33Å; Q112-Q114 PolarHBondContact O-N 3.33Å; Q114-R116 PolarHBondContact O-N 3.46Å | ||
| 115 | K | 77.8 | Confident | 72.3 | Confident | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.1 | 177 | -171.5 | 172.3 | -178.3 | 175.4 | 0 | 107.9 | K113 H117 | K113-K115 PolarHBondContact O-N 3.06Å; K115-H117 PolarHBondContact O-N 3.08Å |
| 116 | R | 79.1 | Confident | 75 | Confident | 238 Ų | 238 | 131.1 Ų | 131.1 | 90% | 0.898 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 128.2 | 179.8 | -65.7 | -179.2 | -179.6 | -177.8 | -1.1 | 109.8 | Q114 R118 | Q114-R116 PolarHBondContact O-N 3.46Å; R116-R118 PolarHBondContact O-N 2.97Å |
| 117 | H | 83.8 | Confident | 77.6 | Confident | 178 Ų | 178 | 130.4 Ų | 130.4 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 124.8 | 176.9 | -73.2 | 85 | 0 | 0 | 0 | 109.9 | K115 | K115-H117 PolarHBondContact O-N 3.08Š|
| 118 | R | 90.8 | Very high | 80.5 | Confident | 230 Ų | 230 | 129.4 Ų | 129.4 | 87% | 0.868 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 130.1 | 179.2 | -174.9 | 177.7 | -179.3 | -179.3 | 1.7 | 109.5 | R116 R120 | R116-R118 PolarHBondContact O-N 2.97Å; R118-R120 PolarHBondContact O-N 3.42Å |
| 119 | T | 92.1 | Very high | 83 | Confident | 48 Ų | 48 | 124.9 Ų | 124.9 | 29% | 0.294 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 127.9 | 173.4 | -46.3 | 0 | 0 | 0 | 0 | 110.4 | F121 L153 R157 | T119-F121 HydrophobicContact CG2-CD1 4.31Å; T119-F121 HydrophobicContact CG2-CE1 3.99Å; T119-L153 HydrophobicContact CG2-CD2 4.13Å; T119-R157 WeakPolarHBondContact OG1-CD 3.47Å; T119-R157 PolarHBondContact OG1-NH1 3.4Å |
| 120 | R | 95.5 | Very high | 85.6 | Confident | 228 Ų | 228 | 123.6 Ų | 123.6 | 86% | 0.86 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 126.9 | 166.6 | -69.3 | 177.2 | 67.4 | -156 | 1.4 | 107.8 | R118 | R118-R120 PolarHBondContact O-N 3.42Š|
| 121 | F | 97.3 | Very high | 87.8 | Confident | 65 Ų | 65 | 121.8 Ų | 121.8 | 29% | 0.285 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -85.5 | 139.3 | 178 | -55.8 | -67 | 0 | 0 | 0 | 110.2 | T119 L126 L153 R157 W161 | T119-F121 HydrophobicContact CG2-CD1 4.31Å; T119-F121 HydrophobicContact CG2-CE1 3.99Å; F121-L126 HydrophobicContact CB-CD1 4.46Å; F121-L126 HydrophobicContact CB-CD2 3.71Å; F121-L126 HydrophobicContact CB-CG 3.83Å; F121-L126 HydrophobicContact CD2-CD2 4.14Å; F121-L126 HydrophobicContact CG-CD2 4.14Å; F121-L153 HydrophobicContact CD1-CD1 3.63Å; F121-L153 HydrophobicContact CD1-CD2 4.37Å; F121-L153 HydrophobicContact CE1-CD1 3.59Å; F121-L153 HydrophobicContact CE1-CD2 4.36Å; F121-R157 HydrophobicContact CE1-CB 4.48Å; F121-W161 AromaticContact CD2-CD1 3.89Å; F121-W161 AromaticContact CE2-CD1 3.61Å; F121-W161 HydrophobicContact CE2-CG 4.49Å; F121-W161 HydrophobicContact CZ-CB 4.32Å |
| 122 | T | 98.3 | Very high | 89.9 | Confident | 67 Ų | 67 | 117.1 Ų | 117.1 | 41% | 0.411 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 158.8 | 170.8 | 72.3 | 0 | 0 | 0 | 0 | 110.3 | A124 Q125 L126 | T122-A124 VanDerWaalsContact C-N 3.27Å; T122-A124 PolarHBondContact O-N 3.17Å; T122-Q125 PolarHBondContact O-N 3.2Å; T122-Q125 VanDerWaalsContact OG1-CG 3.24Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 2.89Å; T122-L126 WeakPolarHBondContact O-CG 3.22Å; T122-L126 PolarHBondContact O-N 3.28Å |
| 123 | P | 97.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 109.1 Ų | 109.1 | 66% | 0.662 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.7 | -40 | 176.3 | -26.4 | 35.5 | 0 | 0 | 0 | 113.2 | Q125 L126 N127 | P123-Q125 PolarHBondContact O-N 2.99Å; P123-L126 PolarHBondContact O-N 3.28Å; P123-N127 VanDerWaalsContact O-CG 3.31Å; P123-N127 PolarHBondContact O-N 2.83Å |
| 124 | A | 97.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 103.3 Ų | 103.3 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T122 N127 E128 | T122-A124 VanDerWaalsContact C-N 3.27Å; T122-A124 PolarHBondContact O-N 3.17Å; A124-N127 PolarHBondContact O-N 3.24Å; A124-E128 PolarHBondContact O-N 3.2Å |
| 125 | Q | 98.3 | Very high | 94.7 | Very high | 30 Ų | 30 | 102.7 Ų | 102.7 | 14% | 0.14 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.3 | -68.7 | 172.2 | -25.6 | 0 | 0 | 111.4 | T122 P123 E128 L129 I151 | T122-Q125 PolarHBondContact O-N 3.2Å; T122-Q125 VanDerWaalsContact OG1-CG 3.24Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 2.89Å; P123-Q125 PolarHBondContact O-N 2.99Å; Q125-E128 PolarHBondContact O-N 3.36Å; Q125-L129 WeakPolarHBondContact O-CB 3.24Å; Q125-L129 WeakPolarHBondContact O-CD1 3.23Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.33Å; Q125-I151 HydrophobicContact CG-CB 4.14Å; Q125-I151 PolarHBondContact NE2-O 3.35Å |
| 126 | L | 98.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 95.3 Ų | 95.3 | 30% | 0.304 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 177.1 | -68.7 | 175 | 0 | 0 | 0 | 111.9 | F121 T122 P123 E128 L129 E130 W161 | F121-L126 HydrophobicContact CB-CD1 4.46Å; F121-L126 HydrophobicContact CB-CD2 3.71Å; F121-L126 HydrophobicContact CB-CG 3.83Å; F121-L126 HydrophobicContact CD2-CD2 4.14Å; F121-L126 HydrophobicContact CG-CD2 4.14Å; T122-L126 WeakPolarHBondContact O-CG 3.22Å; T122-L126 PolarHBondContact O-N 3.28Å; P123-L126 PolarHBondContact O-N 3.28Å; L126-E128 PolarHBondContact O-N 3.4Å; L126-L129 PolarHBondContact O-N 3.01Å; L126-E130 WeakPolarHBondContact O-CB 3.42Å; L126-E130 WeakPolarHBondContact O-CG 3.19Å; L126-E130 PolarHBondContact O-N 2.89Å; L126-W161 VanDerWaalsContact CD2-NE1 3.34Å |
| 127 | N | 98.1 | Very high | 96.4 | Very high | 102 Ų | 102 | 86.6 Ų | 86.6 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.5 | -73.6 | -15 | 0 | 0 | 0 | 111.9 | P123 A124 E130 R131 | P123-N127 VanDerWaalsContact O-CG 3.31Å; P123-N127 PolarHBondContact O-N 2.83Å; A124-N127 PolarHBondContact O-N 3.24Å; N127-E130 PolarHBondContact O-N 3.45Å; N127-R131 VanDerWaalsContact O-CB 3.31Å; N127-R131 WeakPolarHBondContact O-CB 3.33Å; N127-R131 PolarHBondContact O-N 3.13Å |
| 128 | E | 98.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 83.9 Ų | 83.9 | 16% | 0.159 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70 | -38 | 179.4 | -171.6 | 58.2 | -158.1 | 0 | 0 | 111.8 | A124 Q125 L126 R131 S132 L147 R150 I151 | A124-E128 PolarHBondContact O-N 3.2Å; Q125-E128 PolarHBondContact O-N 3.36Å; L126-E128 PolarHBondContact O-N 3.4Å; E128-R131 PolarHBondContact O-N 3.01Å; E128-R131 IonicContact OE2-CZ 3.68Å; E128-R131 IonicContact OE2-NE 3.96Å; E128-R131 IonicContact OE2-NH1 2.86Å; E128-R131 PolarHBondContact OE2-NH1 3.21Å; E128-S132 WeakPolarHBondContact O-CB 3.23Å; E128-S132 PolarHBondContact O-N 3.15Å; E128-L147 HydrophobicContact CG-CD1 3.79Å; E128-R150 IonicContact OE1-CZ 2.75Å; E128-R150 IonicContact OE1-NH1 3.94Å; E128-R150 PolarHBondContact OE1-NH1 2.95Å; E128-I151 HydrophobicContact CB-CG2 3.85Å; E128-I151 HydrophobicContact CG-CG2 3.67Å |
| 129 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 172 | -73.3 | 164.2 | 0 | 0 | 0 | 112 | Q125 L126 S132 F133 L147 I151 V158 W161 F162 | Q125-L129 WeakPolarHBondContact O-CB 3.24Å; Q125-L129 WeakPolarHBondContact O-CD1 3.23Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.33Å; L126-L129 PolarHBondContact O-N 3.01Å; L129-S132 PolarHBondContact O-N 3.37Å; L129-F133 WeakPolarHBondContact O-CB 3.42Å; L129-F133 PolarHBondContact O-N 3.17Å; L129-L147 HydrophobicContact CD2-CD2 3.86Å; L129-L147 HydrophobicContact CD2-CG 4.45Å; L129-I151 HydrophobicContact CD1-CD1 4.15Å; L129-I151 HydrophobicContact CD2-CD1 3.76Å; L129-I151 HydrophobicContact CG-CD1 3.76Å; L129-V158 HydrophobicContact CD2-CG1 4.06Å; L129-V158 HydrophobicContact CD2-CG2 4.41Å; L129-W161 HydrophobicContact CB-CD2 4.03Å; L129-W161 HydrophobicContact CB-CE3 3.99Å; L129-W161 HydrophobicContact CB-CH2 3.66Å; L129-W161 HydrophobicContact CB-CZ2 3.68Å; L129-W161 HydrophobicContact CB-CZ3 3.82Å; L129-W161 HydrophobicContact CD1-CD2 3.92Å; L129-W161 HydrophobicContact CD1-CG 3.9Å; L129-W161 HydrophobicContact CD2-CD2 4.22Å; L129-W161 HydrophobicContact CD2-CE3 4.08Å; L129-W161 HydrophobicContact CG-CD2 4.3Å; L129-W161 HydrophobicContact CG-CE3 4.44Å; L129-F162 HydrophobicContact CD2-CE2 3.98Å |
| 130 | E | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 75.4 Ų | 75.4 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 177.7 | -72 | -167.2 | 158.9 | 0 | 0 | 112.5 | L126 N127 F133 A134 W161 R165 | L126-E130 WeakPolarHBondContact O-CB 3.42Å; L126-E130 WeakPolarHBondContact O-CG 3.19Å; L126-E130 PolarHBondContact O-N 2.89Å; N127-E130 PolarHBondContact O-N 3.45Å; E130-F133 WeakPolarHBondContact O-CB 3.35Å; E130-F133 PolarHBondContact O-N 3.35Å; E130-A134 PolarHBondContact O-N 3.33Å; E130-W161 HydrophobicContact CG-CH2 3.85Å; E130-W161 HydrophobicContact CG-CZ2 3.83Å; E130-R165 IonicContact OE1-CZ 2.7Å; E130-R165 VanDerWaalsContact OE1-CZ 3.28Å; E130-R165 IonicContact OE1-NH1 3.35Å; E130-R165 PolarHBondContact OE1-NH1 3.49Å; E130-R165 IonicContact OE1-NH2 3.64Å; E130-R165 PolarHBondContact OE1-NH2 3.11Å |
| 131 | R | 98 | Very high | 97.8 | Very high | 154 Ų | 154 | 67.3 Ų | 67.3 | 58% | 0.581 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 173.3 | -175.5 | -174 | -70 | 165.3 | -11.8 | 111.5 | N127 E128 A134 | N127-R131 VanDerWaalsContact O-CB 3.31Å; N127-R131 WeakPolarHBondContact O-CB 3.33Å; N127-R131 PolarHBondContact O-N 3.13Å; E128-R131 PolarHBondContact O-N 3.01Å; E128-R131 IonicContact OE2-CZ 3.68Å; E128-R131 IonicContact OE2-NE 3.96Å; E128-R131 IonicContact OE2-NH1 2.86Å; E128-R131 PolarHBondContact OE2-NH1 3.21Å; R131-A134 PolarHBondContact O-N 3.37Å |
| 132 | S | 97.7 | Very high | 97.8 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | E128 L129 A134 K135 T136 | E128-S132 WeakPolarHBondContact O-CB 3.23Å; E128-S132 PolarHBondContact O-N 3.15Å; L129-S132 PolarHBondContact O-N 3.37Å; S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.41Å; S132-K135 WeakPolarHBondContact O-CB 3.31Å; S132-K135 PolarHBondContact O-N 3Å; S132-T136 PolarHBondContact O-N 3.07Å |
| 133 | F | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.8 | -33.9 | 177 | -170.5 | -95.8 | 0 | 0 | 0 | 113.2 | L129 E130 K135 T136 H137 W161 F162 R165 R166 W169 | L129-F133 WeakPolarHBondContact O-CB 3.42Å; L129-F133 PolarHBondContact O-N 3.17Å; E130-F133 WeakPolarHBondContact O-CB 3.35Å; E130-F133 PolarHBondContact O-N 3.35Å; F133-K135 PolarHBondContact O-N 3.3Å; F133-T136 WeakPolarHBondContact CA-O 3.42Å; F133-T136 CarbonylContact O-C 3.4Å; F133-H137 AromaticContact CD1-CD2 3.46Å; F133-H137 VanDerWaalsContact CD1-CD2 3.46Å; F133-H137 WeakPolarHBondContact CD1-CD2 3.4Å; F133-H137 AromaticContact CD1-NE2 3.87Å; F133-H137 AromaticContact CD2-CD2 3.95Å; F133-H137 AromaticContact CE1-CD2 3.06Å; F133-H137 WeakPolarHBondContact CE1-CD2 3.49Å; F133-H137 AromaticContact CE1-NE2 3.39Å; F133-H137 WeakPolarHBondContact CE1-NE2 3.47Å; F133-H137 HydrophobicContact CE2-CB 4.02Å; F133-H137 AromaticContact CE2-CD2 3.6Å; F133-H137 AromaticContact CG-CD2 3.89Å; F133-H137 HydrophobicContact CZ-CB 4.16Å; F133-H137 AromaticContact CZ-CD2 3.13Å; F133-H137 WeakPolarHBondContact CZ-CD2 3.35Å; F133-H137 AromaticContact CZ-CG 3.83Å; F133-H137 AromaticContact CZ-NE2 3.84Å; F133-H137 PolarHBondContact O-CD2 2.73Å; F133-W161 HydrophobicContact CB-CH2 4.31Å; F133-W161 HydrophobicContact CB-CZ3 4.18Å; F133-W161 HydrophobicContact CD2-CZ3 4.27Å; F133-W161 HydrophobicContact CG-CZ3 4.47Å; F133-F162 HydrophobicContact CB-CE1 4.09Å; F133-F162 HydrophobicContact CB-CZ 4.47Å; F133-F162 AromaticContact CD2-CD1 3.71Å; F133-F162 HydrophobicContact CD2-CD1 3.71Å; F133-F162 AromaticContact CD2-CE1 3.68Å; F133-F162 HydrophobicContact CD2-CE1 3.68Å; F133-F162 HydrophobicContact CE2-CD1 4.33Å; F133-F162 HydrophobicContact CG-CE1 4.38Å; F133-R165 HydrophobicContact CD1-CG 3.98Å; F133-R165 HydrophobicContact CD2-CB 4.22Å; F133-R165 HydrophobicContact CD2-CG 3.61Å; F133-R165 HydrophobicContact CE1-CG 3.81Å; F133-R165 HydrophobicContact CE2-CB 3.95Å; F133-R165 HydrophobicContact CE2-CG 3.45Å; F133-R165 VanDerWaalsContact CE2-CG 3.45Å; F133-R165 HydrophobicContact CG-CG 3.88Å; F133-R165 HydrophobicContact CZ-CB 4.38Å; F133-R165 HydrophobicContact CZ-CG 3.56Å; F133-R166 HydrophobicContact CE2-CG 3.92Å; F133-R166 HydrophobicContact CZ-CG 4.34Å; F133-W169 HydrophobicContact CZ-CB 4.44Å |
| 134 | A | 97.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 69.1 Ų | 69.1 | 69% | 0.694 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -28.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | E130 R131 S132 | E130-A134 PolarHBondContact O-N 3.33Å; R131-A134 PolarHBondContact O-N 3.37Å; S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.41Å |
| 135 | K | 97.2 | Very high | 97.9 | Very high | 170 Ų | 170 | 69.9 Ų | 69.9 | 74% | 0.739 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -79.6 | -48.1 | 175.1 | -59.5 | 177 | -178.9 | -177.4 | 0 | 111.4 | S132 F133 | S132-K135 WeakPolarHBondContact O-CB 3.31Å; S132-K135 PolarHBondContact O-N 3Å; F133-K135 PolarHBondContact O-N 3.3Å |
| 136 | T | 96.7 | Very high | 97.9 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | trans | -148.1 | 134.8 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | S132 F133 Y138 P139 M143 | S132-T136 PolarHBondContact O-N 3.07Å; F133-T136 WeakPolarHBondContact CA-O 3.42Å; F133-T136 CarbonylContact O-C 3.4Å; T136-Y138 VanDerWaalsContact C-N 3.33Å; T136-Y138 PolarHBondContact OG1-N 3.18Å; T136-Y138 PolarHBondContact OG1-O 3.19Å; T136-P139 HydrophobicContact CG2-CB 4.14Å; T136-M143 HydrophobicContact CG2-CE 3.67Å; T136-M143 HydrophobicContact CG2-SD 4.29Å | ||
| 137 | H | 97 | Very high | 97.9 | Very high | 54 Ų | 54 | 71.2 Ų | 71.2 | 25% | 0.25 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -79.4 | -18.4 | 174.9 | -58.9 | 137.7 | 0 | 0 | 0 | 113.1 | F133 R166 | F133-H137 AromaticContact CD1-CD2 3.46Å; F133-H137 VanDerWaalsContact CD1-CD2 3.46Å; F133-H137 WeakPolarHBondContact CD1-CD2 3.4Å; F133-H137 AromaticContact CD1-NE2 3.87Å; F133-H137 AromaticContact CD2-CD2 3.95Å; F133-H137 AromaticContact CE1-CD2 3.06Å; F133-H137 WeakPolarHBondContact CE1-CD2 3.49Å; F133-H137 AromaticContact CE1-NE2 3.39Å; F133-H137 WeakPolarHBondContact CE1-NE2 3.47Å; F133-H137 HydrophobicContact CE2-CB 4.02Å; F133-H137 AromaticContact CE2-CD2 3.6Å; F133-H137 AromaticContact CG-CD2 3.89Å; F133-H137 HydrophobicContact CZ-CB 4.16Å; F133-H137 AromaticContact CZ-CD2 3.13Å; F133-H137 WeakPolarHBondContact CZ-CD2 3.35Å; F133-H137 AromaticContact CZ-CG 3.83Å; F133-H137 AromaticContact CZ-NE2 3.84Å; F133-H137 PolarHBondContact O-CD2 2.73Å; H137-R166 WeakPolarHBondContact O-CD 3.33Å; H137-R166 PolarHBondContact O-NH1 3.33Å |
| 138 | Y | 97.7 | Very high | 97.9 | Very high | 122 Ų | 122 | 66.6 Ų | 66.6 | 48% | 0.478 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -127 | 74.6 | -177.9 | -64.9 | -95.4 | 0 | 0 | 0 | 108.9 | W26 T136 R166 | W26-Y138 VanDerWaalsContact CZ2-OH 3.32Å; W26-Y138 WeakPolarHBondContact CZ2-OH 3.41Å; W26-Y138 AromaticContact NE1-CE2 3.63Å; W26-Y138 AromaticContact NE1-CZ 3.77Å; W26-Y138 PolarHBondContact NE1-OH 3.26Å; W26-Y138 VanDerWaalsContact NE1-OH 3.1Å; T136-Y138 VanDerWaalsContact C-N 3.33Å; T136-Y138 PolarHBondContact OG1-N 3.18Å; T136-Y138 PolarHBondContact OG1-O 3.19Å; Y138-R166 VanDerWaalsContact CE1-CD 3.48Å |
| 139 | P | 97 | Very high | 97.9 | Very high | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | trans | -67.5 | 139 | 177.3 | 29.6 | -36.8 | 0 | 0 | 0 | 110.4 | T136 M143 R144 F162 | T136-P139 HydrophobicContact CG2-CB 4.14Å; P139-M143 HydrophobicContact CB-CB 4.07Å; P139-M143 HydrophobicContact CB-SD 4.49Å; P139-R144 HydrophobicContact CB-CG 3.93Å; P139-R144 HydrophobicContact CG-CG 3.69Å; P139-R144 PolarHBondContact O-NH1 2.91Å; P139-F162 HydrophobicContact CB-CE1 4.43Å; P139-F162 VanDerWaalsContact CD-CE1 3.5Å; P139-F162 HydrophobicContact CG-CD1 3.54Å; P139-F162 HydrophobicContact CG-CD2 4.09Å; P139-F162 HydrophobicContact CG-CE1 3.5Å; P139-F162 VanDerWaalsContact CG-CE1 3.5Å; P139-F162 HydrophobicContact CG-CE2 4.06Å; P139-F162 HydrophobicContact CG-CG 3.86Å; P139-F162 HydrophobicContact CG-CZ 3.77Å | ||
| 140 | D | 98.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 78 Ų | 78 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | trans | -67.6 | 165.9 | 174.9 | -170.9 | 24.5 | 0 | 0 | 0 | 112.1 | F142 M143 R144 | D140-F142 PolarHBondContact O-N 2.82Å; D140-M143 HydrophobicContact CB-CG 4.31Å; D140-M143 HydrophobicContact CB-SD 4.38Å; D140-M143 PolarHBondContact O-N 3.46Å; D140-R144 WeakPolarHBondContact O-CG 3.36Å; D140-R144 PolarHBondContact O-N 3.13Å | ||
| 141 | I | 97.8 | Very high | 97.8 | Very high | 59 Ų | 59 | 75.3 Ų | 75.3 | 30% | 0.303 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.2 | -50.8 | 179.7 | -175.6 | 60.5 | 0 | 0 | 0 | 111.7 | M143 R144 E145 E155 | I141-M143 VanDerWaalsContact C-N 3.33Å; I141-M143 PolarHBondContact O-N 3.42Å; I141-R144 PolarHBondContact O-N 2.95Å; I141-R144 VanDerWaalsContact O-N 3.08Å; I141-E145 HydrophobicContact CD1-CG 4.44Å; I141-E145 WeakPolarHBondContact O-CG 3.5Å; I141-E145 PolarHBondContact O-N 2.77Å; I141-E155 HydrophobicContact CD1-CG 4.01Å |
| 142 | F | 98.1 | Very high | 97.8 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | -179.9 | -62.4 | -68.7 | 0 | 0 | 0 | 112.3 | D140 R144 E145 E146 | D140-F142 PolarHBondContact O-N 2.82Å; F142-R144 VanDerWaalsContact C-N 3.3Å; F142-R144 PolarHBondContact O-N 3.03Å; F142-E145 PolarHBondContact O-N 3.25Å; F142-E146 WeakPolarHBondContact O-CB 3.4Å; F142-E146 PolarHBondContact O-N 2.97Å |
| 143 | M | 97.9 | Very high | 97.8 | Very high | 81 Ų | 81 | 71.8 Ų | 71.8 | 40% | 0.399 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 176.4 | -62.8 | -179.1 | 71.7 | 0 | 0 | 111.9 | T136 P139 D140 I141 L147 | T136-M143 HydrophobicContact CG2-CE 3.67Å; T136-M143 HydrophobicContact CG2-SD 4.29Å; P139-M143 HydrophobicContact CB-CB 4.07Å; P139-M143 HydrophobicContact CB-SD 4.49Å; D140-M143 HydrophobicContact CB-CG 4.31Å; D140-M143 HydrophobicContact CB-SD 4.38Å; D140-M143 PolarHBondContact O-N 3.46Å; I141-M143 VanDerWaalsContact C-N 3.33Å; I141-M143 PolarHBondContact O-N 3.42Å; M143-L147 VanDerWaalsContact O-CB 3.23Å; M143-L147 WeakPolarHBondContact O-CB 3.38Å; M143-L147 PolarHBondContact O-N 3.26Å; M143-L147 VanDerWaalsContact O-N 3.11Å |
| 144 | R | 98.5 | Very high | 97.8 | Very high | 45 Ų | 45 | 75.5 Ų | 75.5 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.7 | -39.5 | 176.9 | -67.5 | -165.7 | -53.5 | -85.2 | -0.7 | 111.4 | P139 D140 I141 F142 L147 A148 E155 V158 | P139-R144 HydrophobicContact CB-CG 3.93Å; P139-R144 HydrophobicContact CG-CG 3.69Å; P139-R144 PolarHBondContact O-NH1 2.91Å; D140-R144 WeakPolarHBondContact O-CG 3.36Å; D140-R144 PolarHBondContact O-N 3.13Å; I141-R144 PolarHBondContact O-N 2.95Å; I141-R144 VanDerWaalsContact O-N 3.08Å; F142-R144 VanDerWaalsContact C-N 3.3Å; F142-R144 PolarHBondContact O-N 3.03Å; R144-L147 PolarHBondContact O-N 3.03Å; R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 2.75Å; R144-E155 HydrophobicContact CB-CG 4.06Å; R144-E155 IonicContact CZ-OE1 3.28Å; R144-E155 VanDerWaalsContact CZ-OE1 3.27Å; R144-E155 IonicContact NE-OE1 3.27Å; R144-E155 PolarHBondContact NE-OE1 3.48Å; R144-E155 IonicContact NH2-OE1 2.73Å; R144-E155 PolarHBondContact NH2-OE1 3.06Å; R144-V158 HydrophobicContact CB-CG1 4.17Å; R144-V158 HydrophobicContact CG-CG1 4.15Å |
| 145 | E | 98.6 | Very high | 97.8 | Very high | 87 Ų | 87 | 73.7 Ų | 73.7 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 175.9 | -71.5 | 177.4 | 162.8 | 0 | 0 | 111.7 | I141 F142 L147 A148 L149 E155 | I141-E145 HydrophobicContact CD1-CG 4.44Å; I141-E145 WeakPolarHBondContact O-CG 3.5Å; I141-E145 PolarHBondContact O-N 2.77Å; F142-E145 PolarHBondContact O-N 3.25Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 2.88Å; E145-A148 WeakPolarHBondContact O-CB 3.44Å; E145-A148 PolarHBondContact O-N 2.74Å; E145-L149 WeakPolarHBondContact O-CG 3.4Å; E145-L149 PolarHBondContact O-N 3.39Å; E145-E155 HydrophobicContact CG-CB 4.36Å; E145-E155 HydrophobicContact CG-CG 3.98Å |
| 146 | E | 98.3 | Very high | 97.8 | Very high | 115 Ų | 115 | 68 Ų | 68 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.9 | -165.9 | -157.8 | 160.5 | 0 | 0 | 111.5 | F142 L149 R150 | F142-E146 WeakPolarHBondContact O-CB 3.4Å; F142-E146 PolarHBondContact O-N 2.97Å; E146-L149 PolarHBondContact O-N 3.47Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 PolarHBondContact O-N 2.78Å; E146-R150 IonicContact OE1-CZ 3.86Å; E146-R150 IonicContact OE1-NH2 3.92Å; E146-R150 PolarHBondContact OE1-NH2 3.48Å; E146-R150 IonicContact OE2-NH2 2.89Å |
| 147 | L | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.6 | -172.7 | 62.1 | 0 | 0 | 0 | 111.7 | E128 L129 M143 R144 E145 R150 I151 V158 F162 | E128-L147 HydrophobicContact CG-CD1 3.79Å; L129-L147 HydrophobicContact CD2-CD2 3.86Å; L129-L147 HydrophobicContact CD2-CG 4.45Å; M143-L147 VanDerWaalsContact O-CB 3.23Å; M143-L147 WeakPolarHBondContact O-CB 3.38Å; M143-L147 PolarHBondContact O-N 3.26Å; M143-L147 VanDerWaalsContact O-N 3.11Å; R144-L147 PolarHBondContact O-N 3.03Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 2.88Å; L147-R150 PolarHBondContact O-N 2.96Å; L147-I151 HydrophobicContact CD1-CG2 4.38Å; L147-I151 HydrophobicContact CG-CD1 4.21Å; L147-I151 VanDerWaalsContact O-CG1 3.23Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 3.5Å; L147-I151 VanDerWaalsContact O-N 3.1Å; L147-V158 HydrophobicContact CD2-CG1 3.94Å; L147-F162 HydrophobicContact CD2-CE2 3.83Å; L147-F162 HydrophobicContact CD2-CZ 4.21Å |
| 148 | A | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R144 E145 I151 G152 L153 V158 | R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 2.75Å; E145-A148 WeakPolarHBondContact O-CB 3.44Å; E145-A148 PolarHBondContact O-N 2.74Å; A148-I151 PolarHBondContact O-N 2.79Å; A148-G152 PolarHBondContact O-N 3.5Å; A148-L153 CarbonylContact C-O 3.47Å; A148-L153 WeakPolarHBondContact CB-O 3.35Å; A148-L153 PolarHBondContact O-N 2.9Å; A148-V158 HydrophobicContact CB-CG2 3.85Å |
| 149 | L | 98.3 | Very high | 98 | Very high | 150 Ų | 150 | 65.7 Ų | 65.7 | 79% | 0.785 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.2 | -47.7 | 173.6 | -69 | 171.9 | 0 | 0 | 0 | 111.4 | E145 E146 I151 G152 | E145-L149 WeakPolarHBondContact O-CG 3.4Å; E145-L149 PolarHBondContact O-N 3.39Å; E146-L149 PolarHBondContact O-N 3.47Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 PolarHBondContact O-N 2.94Å; L149-G152 PolarHBondContact O-N 3.12Å |
| 150 | R | 97.7 | Very high | 98 | Very high | 124 Ų | 124 | 68.3 Ų | 68.3 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.6 | -35.8 | -177.8 | -165.5 | -175.1 | -55.4 | 126.7 | 9.6 | 113.4 | E128 E146 L147 | E128-R150 IonicContact OE1-CZ 2.75Å; E128-R150 IonicContact OE1-NH1 3.94Å; E128-R150 PolarHBondContact OE1-NH1 2.95Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 PolarHBondContact O-N 2.78Å; E146-R150 IonicContact OE1-CZ 3.86Å; E146-R150 IonicContact OE1-NH2 3.92Å; E146-R150 PolarHBondContact OE1-NH2 3.48Å; E146-R150 IonicContact OE2-NH2 2.89Å; L147-R150 PolarHBondContact O-N 2.96Å |
| 151 | I | 97.6 | Very high | 98 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -105.8 | 3.9 | -174.3 | 74.2 | -170.2 | 0 | 0 | 0 | 113.9 | Q125 E128 L129 L147 A148 L149 L153 V158 | Q125-I151 HydrophobicContact CG-CB 4.14Å; Q125-I151 PolarHBondContact NE2-O 3.35Å; E128-I151 HydrophobicContact CB-CG2 3.85Å; E128-I151 HydrophobicContact CG-CG2 3.67Å; L129-I151 HydrophobicContact CD1-CD1 4.15Å; L129-I151 HydrophobicContact CD2-CD1 3.76Å; L129-I151 HydrophobicContact CG-CD1 3.76Å; L147-I151 HydrophobicContact CD1-CG2 4.38Å; L147-I151 HydrophobicContact CG-CD1 4.21Å; L147-I151 VanDerWaalsContact O-CG1 3.23Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 3.5Å; L147-I151 VanDerWaalsContact O-N 3.1Å; A148-I151 PolarHBondContact O-N 2.79Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 PolarHBondContact O-N 2.94Å; I151-L153 HydrophobicContact CD1-CD1 3.64Å; I151-L153 HydrophobicContact CD1-CG 4.31Å; I151-L153 HydrophobicContact CG1-CB 4.1Å; I151-L153 HydrophobicContact CG1-CD1 3.77Å; I151-L153 HydrophobicContact CG1-CG 3.88Å; I151-V158 HydrophobicContact CD1-CG2 4.25Å |
| 152 | G | 97.8 | Very high | 98.1 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 68% | 0.68 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A148 L149 | A148-G152 PolarHBondContact O-N 3.5Å; L149-G152 PolarHBondContact O-N 3.12Å |
| 153 | L | 97.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | trans | -122.2 | 167.7 | 177.8 | -64.9 | 177.2 | 0 | 0 | 0 | 110.4 | T119 F121 A148 I151 R157 V158 | T119-L153 HydrophobicContact CG2-CD2 4.13Å; F121-L153 HydrophobicContact CD1-CD1 3.63Å; F121-L153 HydrophobicContact CD1-CD2 4.37Å; F121-L153 HydrophobicContact CE1-CD1 3.59Å; F121-L153 HydrophobicContact CE1-CD2 4.36Å; A148-L153 CarbonylContact C-O 3.47Å; A148-L153 WeakPolarHBondContact CB-O 3.35Å; A148-L153 PolarHBondContact O-N 2.9Å; I151-L153 HydrophobicContact CD1-CD1 3.64Å; I151-L153 HydrophobicContact CD1-CG 4.31Å; I151-L153 HydrophobicContact CG1-CB 4.1Å; I151-L153 HydrophobicContact CG1-CD1 3.77Å; I151-L153 HydrophobicContact CG1-CG 3.88Å; L153-R157 HydrophobicContact CB-CB 4.45Å; L153-V158 HydrophobicContact CB-CG2 4.5Å | ||
| 154 | T | 98 | Very high | 98 | Very high | 88 Ų | 88 | 60 Ų | 60 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | trans | -84.2 | 150.1 | 169 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | S156 R157 V158 | T154-S156 PolarHBondContact O-N 3.46Å; T154-R157 WeakPolarHBondContact O-CA 3.34Å; T154-R157 WeakPolarHBondContact O-CB 3.47Å; T154-R157 PolarHBondContact O-N 2.84Å; T154-R157 WeakPolarHBondContact OG1-CG 3.38Å; T154-V158 PolarHBondContact O-N 3.32Å | ||
| 155 | E | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 60.2 Ų | 60.2 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -49.9 | -44.9 | 177.7 | -177.8 | -77.7 | 155.1 | 0 | 0 | 111.3 | I141 R144 E145 R157 V158 Q159 | I141-E155 HydrophobicContact CD1-CG 4.01Å; R144-E155 HydrophobicContact CB-CG 4.06Å; R144-E155 IonicContact CZ-OE1 3.28Å; R144-E155 VanDerWaalsContact CZ-OE1 3.27Å; R144-E155 IonicContact NE-OE1 3.27Å; R144-E155 PolarHBondContact NE-OE1 3.48Å; R144-E155 IonicContact NH2-OE1 2.73Å; R144-E155 PolarHBondContact NH2-OE1 3.06Å; E145-E155 HydrophobicContact CG-CB 4.36Å; E145-E155 HydrophobicContact CG-CG 3.98Å; E155-R157 PolarHBondContact O-N 3.33Å; E155-V158 CarbonylContact O-C 3.58Å; E155-V158 WeakPolarHBondContact O-CA 3.36Å; E155-V158 WeakPolarHBondContact O-CB 3.29Å; E155-V158 PolarHBondContact O-N 2.94Å; E155-Q159 PolarHBondContact O-N 2.9Å |
| 156 | S | 97.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.9 | -35.3 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 112.8 | T154 Q159 V160 | T154-S156 PolarHBondContact O-N 3.46Å; S156-Q159 PolarHBondContact O-N 2.97Å; S156-V160 VanDerWaalsContact O-CG2 3.29Å; S156-V160 WeakPolarHBondContact O-CG2 3.28Å; S156-V160 PolarHBondContact O-N 3.19Å |
| 157 | R | 97.9 | Very high | 97.8 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.5 | -39 | 176.6 | -63.1 | -62.2 | 133.5 | 154.2 | -3.8 | 112 | T119 F121 L153 T154 E155 W161 | T119-R157 WeakPolarHBondContact OG1-CD 3.47Å; T119-R157 PolarHBondContact OG1-NH1 3.4Å; F121-R157 HydrophobicContact CE1-CB 4.48Å; L153-R157 HydrophobicContact CB-CB 4.45Å; T154-R157 WeakPolarHBondContact O-CA 3.34Å; T154-R157 WeakPolarHBondContact O-CB 3.47Å; T154-R157 PolarHBondContact O-N 2.84Å; T154-R157 WeakPolarHBondContact OG1-CG 3.38Å; E155-R157 PolarHBondContact O-N 3.33Å; R157-W161 WeakPolarHBondContact O-CB 3.39Å; R157-W161 PolarHBondContact O-N 3.28Å |
| 158 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 173 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | L129 R144 L147 A148 I151 L153 T154 E155 V160 W161 F162 | L129-V158 HydrophobicContact CD2-CG1 4.06Å; L129-V158 HydrophobicContact CD2-CG2 4.41Å; R144-V158 HydrophobicContact CB-CG1 4.17Å; R144-V158 HydrophobicContact CG-CG1 4.15Å; L147-V158 HydrophobicContact CD2-CG1 3.94Å; A148-V158 HydrophobicContact CB-CG2 3.85Å; I151-V158 HydrophobicContact CD1-CG2 4.25Å; L153-V158 HydrophobicContact CB-CG2 4.5Å; T154-V158 PolarHBondContact O-N 3.32Å; E155-V158 CarbonylContact O-C 3.58Å; E155-V158 WeakPolarHBondContact O-CA 3.36Å; E155-V158 WeakPolarHBondContact O-CB 3.29Å; E155-V158 PolarHBondContact O-N 2.94Å; V158-V160 PolarHBondContact O-N 3.15Å; V158-W161 WeakPolarHBondContact O-CB 3.13Å; V158-W161 PolarHBondContact O-N 3.36Å; V158-W161 VanDerWaalsContact O-N 3.13Å; V158-F162 HydrophobicContact CG1-CD2 3.7Å; V158-F162 HydrophobicContact CG1-CE2 3.72Å; V158-F162 WeakPolarHBondContact O-CD2 3.06Å; V158-F162 PolarHBondContact O-N 3.39Å |
| 159 | Q | 98.2 | Very high | 97.3 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.2 | -51.8 | 176.7 | -170.6 | -164.4 | -0 | 0 | 0 | 112 | E155 S156 W161 F162 Q163 | E155-Q159 PolarHBondContact O-N 2.9Å; S156-Q159 PolarHBondContact O-N 2.97Å; Q159-W161 VanDerWaalsContact C-N 3.32Å; Q159-W161 PolarHBondContact O-N 3.27Å; Q159-F162 PolarHBondContact O-N 2.85Å; Q159-Q163 WeakPolarHBondContact O-CG 3.4Å; Q159-Q163 PolarHBondContact O-N 3.37Å |
| 160 | V | 98.1 | Very high | 97 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | S156 V158 Q163 N164 | S156-V160 VanDerWaalsContact O-CG2 3.29Å; S156-V160 WeakPolarHBondContact O-CG2 3.28Å; S156-V160 PolarHBondContact O-N 3.19Å; V158-V160 PolarHBondContact O-N 3.15Å; V160-Q163 PolarHBondContact O-N 2.91Å; V160-N164 WeakPolarHBondContact O-CB 3.31Å; V160-N164 PolarHBondContact O-N 3.42Å; V160-N164 PolarHBondContact O-ND2 3.22Å |
| 161 | W | 98.1 | Very high | 96.5 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 8% | 0.076 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 175.4 | -174 | 100.9 | 0 | 0 | 0 | 111.4 | F121 L126 L129 E130 F133 R157 V158 Q159 Q163 N164 R165 | F121-W161 AromaticContact CD2-CD1 3.89Å; F121-W161 AromaticContact CE2-CD1 3.61Å; F121-W161 HydrophobicContact CE2-CG 4.49Å; F121-W161 HydrophobicContact CZ-CB 4.32Å; L126-W161 VanDerWaalsContact CD2-NE1 3.34Å; L129-W161 HydrophobicContact CB-CD2 4.03Å; L129-W161 HydrophobicContact CB-CE3 3.99Å; L129-W161 HydrophobicContact CB-CH2 3.66Å; L129-W161 HydrophobicContact CB-CZ2 3.68Å; L129-W161 HydrophobicContact CB-CZ3 3.82Å; L129-W161 HydrophobicContact CD1-CD2 3.92Å; L129-W161 HydrophobicContact CD1-CG 3.9Å; L129-W161 HydrophobicContact CD2-CD2 4.22Å; L129-W161 HydrophobicContact CD2-CE3 4.08Å; L129-W161 HydrophobicContact CG-CD2 4.3Å; L129-W161 HydrophobicContact CG-CE3 4.44Å; E130-W161 HydrophobicContact CG-CH2 3.85Å; E130-W161 HydrophobicContact CG-CZ2 3.83Å; F133-W161 HydrophobicContact CB-CH2 4.31Å; F133-W161 HydrophobicContact CB-CZ3 4.18Å; F133-W161 HydrophobicContact CD2-CZ3 4.27Å; F133-W161 HydrophobicContact CG-CZ3 4.47Å; R157-W161 WeakPolarHBondContact O-CB 3.39Å; R157-W161 PolarHBondContact O-N 3.28Å; V158-W161 WeakPolarHBondContact O-CB 3.13Å; V158-W161 PolarHBondContact O-N 3.36Å; V158-W161 VanDerWaalsContact O-N 3.13Å; Q159-W161 VanDerWaalsContact C-N 3.32Å; Q159-W161 PolarHBondContact O-N 3.27Å; W161-Q163 PolarHBondContact O-N 3.47Å; W161-N164 PolarHBondContact O-N 3.16Å; W161-R165 HydrophobicContact CE3-CB 4.08Å; W161-R165 HydrophobicContact CH2-CB 4.15Å; W161-R165 HydrophobicContact CH2-CG 3.82Å; W161-R165 HydrophobicContact CZ2-CG 4.47Å; W161-R165 HydrophobicContact CZ3-CB 3.87Å; W161-R165 HydrophobicContact CZ3-CG 3.9Å; W161-R165 WeakPolarHBondContact O-CB 3.49Å; W161-R165 PolarHBondContact O-N 3.37Å |
| 162 | F | 98.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 178.4 | -90.2 | -94.3 | 0 | 0 | 0 | 112.1 | L129 F133 P139 L147 V158 Q159 R165 R166 | L129-F162 HydrophobicContact CD2-CE2 3.98Å; F133-F162 HydrophobicContact CB-CE1 4.09Å; F133-F162 HydrophobicContact CB-CZ 4.47Å; F133-F162 AromaticContact CD2-CD1 3.71Å; F133-F162 HydrophobicContact CD2-CD1 3.71Å; F133-F162 AromaticContact CD2-CE1 3.68Å; F133-F162 HydrophobicContact CD2-CE1 3.68Å; F133-F162 HydrophobicContact CE2-CD1 4.33Å; F133-F162 HydrophobicContact CG-CE1 4.38Å; P139-F162 HydrophobicContact CB-CE1 4.43Å; P139-F162 VanDerWaalsContact CD-CE1 3.5Å; P139-F162 HydrophobicContact CG-CD1 3.54Å; P139-F162 HydrophobicContact CG-CD2 4.09Å; P139-F162 HydrophobicContact CG-CE1 3.5Å; P139-F162 VanDerWaalsContact CG-CE1 3.5Å; P139-F162 HydrophobicContact CG-CE2 4.06Å; P139-F162 HydrophobicContact CG-CG 3.86Å; P139-F162 HydrophobicContact CG-CZ 3.77Å; L147-F162 HydrophobicContact CD2-CE2 3.83Å; L147-F162 HydrophobicContact CD2-CZ 4.21Å; V158-F162 HydrophobicContact CG1-CD2 3.7Å; V158-F162 HydrophobicContact CG1-CE2 3.72Å; V158-F162 WeakPolarHBondContact O-CD2 3.06Å; V158-F162 PolarHBondContact O-N 3.39Å; Q159-F162 PolarHBondContact O-N 2.85Å; F162-R165 PolarHBondContact O-N 3.46Å; F162-R166 WeakPolarHBondContact O-CG 3.45Å; F162-R166 PolarHBondContact O-N 3.29Å |
| 163 | Q | 98.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 73 Ų | 73 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -50 | 172.9 | -71.1 | 175.3 | 22.3 | 0 | 0 | 111.6 | Q159 V160 W161 R165 R166 A167 | Q159-Q163 WeakPolarHBondContact O-CG 3.4Å; Q159-Q163 PolarHBondContact O-N 3.37Å; V160-Q163 PolarHBondContact O-N 2.91Å; W161-Q163 PolarHBondContact O-N 3.47Å; Q163-R165 VanDerWaalsContact C-N 3.3Å; Q163-R165 PolarHBondContact O-N 3.18Å; Q163-R166 PolarHBondContact O-N 3.27Å; Q163-A167 PolarHBondContact O-N 3.21Å |
| 164 | N | 97.6 | Very high | 91.8 | Very high | 94 Ų | 94 | 79.7 Ų | 79.7 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 178.1 | -74.5 | -38.7 | 0 | 0 | 0 | 112.3 | V160 W161 A167 K168 | V160-N164 WeakPolarHBondContact O-CB 3.31Å; V160-N164 PolarHBondContact O-N 3.42Å; V160-N164 PolarHBondContact O-ND2 3.22Å; W161-N164 PolarHBondContact O-N 3.16Å; N164-A167 PolarHBondContact O-N 3.47Å; N164-K168 PolarHBondContact O-N 3.04Å; N164-K168 VanDerWaalsContact O-N 3.12Å |
| 165 | R | 97.6 | Very high | 89.7 | Confident | 50 Ų | 50 | 78 Ų | 78 | 19% | 0.189 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 177.4 | -172.7 | 65.4 | -177.6 | -165.4 | -2 | 111 | E130 F133 W161 F162 Q163 A167 K168 W169 | E130-R165 IonicContact OE1-CZ 2.7Å; E130-R165 VanDerWaalsContact OE1-CZ 3.28Å; E130-R165 IonicContact OE1-NH1 3.35Å; E130-R165 PolarHBondContact OE1-NH1 3.49Å; E130-R165 IonicContact OE1-NH2 3.64Å; E130-R165 PolarHBondContact OE1-NH2 3.11Å; F133-R165 HydrophobicContact CD1-CG 3.98Å; F133-R165 HydrophobicContact CD2-CB 4.22Å; F133-R165 HydrophobicContact CD2-CG 3.61Å; F133-R165 HydrophobicContact CE1-CG 3.81Å; F133-R165 HydrophobicContact CE2-CB 3.95Å; F133-R165 HydrophobicContact CE2-CG 3.45Å; F133-R165 VanDerWaalsContact CE2-CG 3.45Å; F133-R165 HydrophobicContact CG-CG 3.88Å; F133-R165 HydrophobicContact CZ-CB 4.38Å; F133-R165 HydrophobicContact CZ-CG 3.56Å; W161-R165 HydrophobicContact CE3-CB 4.08Å; W161-R165 HydrophobicContact CH2-CB 4.15Å; W161-R165 HydrophobicContact CH2-CG 3.82Å; W161-R165 HydrophobicContact CZ2-CG 4.47Å; W161-R165 HydrophobicContact CZ3-CB 3.87Å; W161-R165 HydrophobicContact CZ3-CG 3.9Å; W161-R165 WeakPolarHBondContact O-CB 3.49Å; W161-R165 PolarHBondContact O-N 3.37Å; F162-R165 PolarHBondContact O-N 3.46Å; Q163-R165 VanDerWaalsContact C-N 3.3Å; Q163-R165 PolarHBondContact O-N 3.18Å; R165-A167 PolarHBondContact O-N 3.2Å; R165-K168 PolarHBondContact O-N 3.1Å; R165-W169 WeakPolarHBondContact O-CB 3.4Å; R165-W169 PolarHBondContact O-N 2.7Å |
| 166 | R | 97.2 | Very high | 87.5 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 21% | 0.211 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 174.6 | -72.7 | -164.5 | -62.5 | -91.1 | 4.1 | 112.6 | F133 H137 Y138 F162 Q163 K168 W169 K170 | F133-R166 HydrophobicContact CE2-CG 3.92Å; F133-R166 HydrophobicContact CZ-CG 4.34Å; H137-R166 WeakPolarHBondContact O-CD 3.33Å; H137-R166 PolarHBondContact O-NH1 3.33Å; Y138-R166 VanDerWaalsContact CE1-CD 3.48Å; F162-R166 WeakPolarHBondContact O-CG 3.45Å; F162-R166 PolarHBondContact O-N 3.29Å; Q163-R166 PolarHBondContact O-N 3.27Å; R166-K168 PolarHBondContact O-N 2.68Å; R166-W169 WeakPolarHBondContact O-CB 3.47Å; R166-W169 PolarHBondContact O-N 3.45Å; R166-K170 WeakPolarHBondContact O-CB 3.48Å; R166-K170 PolarHBondContact O-N 3.34Å |
| 167 | A | 96.4 | Very high | 85.3 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q163 N164 R165 K170 K171 | Q163-A167 PolarHBondContact O-N 3.21Å; N164-A167 PolarHBondContact O-N 3.47Å; R165-A167 PolarHBondContact O-N 3.2Å; A167-K170 PolarHBondContact O-N 3.29Å; A167-K171 PolarHBondContact O-N 2.99Å |
| 168 | K | 93.6 | Very high | 83.2 | Confident | 123 Ų | 123 | 84.2 Ų | 84.2 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.2 | -72.8 | -174.8 | -70.1 | -179.3 | 0 | 111.9 | N164 R165 R166 K170 K171 R172 | N164-K168 PolarHBondContact O-N 3.04Å; N164-K168 VanDerWaalsContact O-N 3.12Å; R165-K168 PolarHBondContact O-N 3.1Å; R166-K168 PolarHBondContact O-N 2.68Å; K168-K170 PolarHBondContact O-N 3Å; K168-K171 PolarHBondContact O-N 3.13Å; K168-R172 PolarHBondContact O-N 3.44Å |
| 169 | W | 91.9 | Very high | 80.9 | Confident | 59 Ų | 59 | 92.6 Ų | 92.6 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 177.3 | -178.1 | 93.8 | 0 | 0 | 0 | 112 | W26 F133 R165 R166 | W26-W169 AromaticContact CH2-CZ3 3.93Å; W26-W169 HydrophobicContact CH2-CZ3 3.93Å; W26-W169 HydrophobicContact CZ2-CE3 4.44Å; W26-W169 AromaticContact CZ2-CZ3 3.8Å; W26-W169 HydrophobicContact CZ2-CZ3 3.8Å; W26-W169 HydrophobicContact CZ3-CZ3 4.41Å; F133-W169 HydrophobicContact CZ-CB 4.44Å; R165-W169 WeakPolarHBondContact O-CB 3.4Å; R165-W169 PolarHBondContact O-N 2.7Å; R166-W169 WeakPolarHBondContact O-CB 3.47Å; R166-W169 PolarHBondContact O-N 3.45Å |
| 170 | K | 91.9 | Very high | 78.6 | Confident | 127 Ų | 127 | 98.7 Ų | 98.7 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 175 | -172.1 | 168.7 | 73.6 | 175.6 | 0 | 111.9 | W26 R166 A167 K168 R172 K173 | W26-K170 HydrophobicContact CH2-CB 4.43Å; W26-K170 HydrophobicContact CH2-CD 3.83Å; W26-K170 HydrophobicContact CH2-CG 4.13Å; W26-K170 HydrophobicContact CZ3-CD 4.25Å; W26-K170 HydrophobicContact CZ3-CG 4.48Å; R166-K170 WeakPolarHBondContact O-CB 3.48Å; R166-K170 PolarHBondContact O-N 3.34Å; A167-K170 PolarHBondContact O-N 3.29Å; K168-K170 PolarHBondContact O-N 3Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.37Å; K170-K173 PolarHBondContact O-N 3.09Å |
| 171 | K | 85.8 | Confident | 76.1 | Confident | 150 Ų | 150 | 101.6 Ų | 101.6 | 65% | 0.652 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.6 | -34.3 | -176.8 | -170.1 | 167.4 | -178.7 | 174.3 | 0 | 113.4 | A167 K168 K173 K174 T175 | A167-K171 PolarHBondContact O-N 2.99Å; K168-K171 PolarHBondContact O-N 3.13Å; K171-K173 PolarHBondContact O-N 3.35Å; K171-K173 VanDerWaalsContact O-N 3.16Å; K171-K174 PolarHBondContact O-N 3.16Å; K171-K174 VanDerWaalsContact O-N 3.09Å; K171-T175 PolarHBondContact O-N 3.48Å; K171-T175 PolarHBondContact O-OG1 3.37Å |
| 172 | R | 75.9 | Confident | 73.6 | Confident | 152 Ų | 152 | 107.1 Ų | 107.1 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.9 | -24 | -179.3 | -71.6 | -171.3 | -66.6 | -163.4 | 4 | 114.1 | K168 K170 | K168-R172 PolarHBondContact O-N 3.44Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.37Å |
| 173 | K | 61.1 | Low | 71.1 | Confident | 117 Ų | 117 | 110.1 Ų | 110.1 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -79.4 | -20.6 | 177.1 | -65.6 | -177.2 | 173.6 | 179.7 | 0 | 113.9 | K170 K171 | K170-K173 PolarHBondContact O-N 3.09Å; K171-K173 PolarHBondContact O-N 3.35Å; K171-K173 VanDerWaalsContact O-N 3.16Å |
| 174 | K | 57.5 | Low | 68.5 | Low | 168 Ų | 168 | 111.6 Ų | 111.6 | 73% | 0.73 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -93.7 | -27.9 | -176.2 | -158.8 | 85 | 163.6 | -178.8 | 0 | 112.6 | K171 | K171-K174 PolarHBondContact O-N 3.16Å; K171-K174 VanDerWaalsContact O-N 3.09Å |
| 175 | T | 53.8 | Low | 66.2 | Low | 54 Ų | 54 | 115.6 Ų | 115.6 | 33% | 0.331 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -81.1 | -17.9 | -178.6 | 45.7 | 0 | 0 | 0 | 0 | 114 | K171 N177 V178 F179 | K171-T175 PolarHBondContact O-N 3.48Å; K171-T175 PolarHBondContact O-OG1 3.37Å; T175-N177 PolarHBondContact O-N 3.07Å; T175-V178 PolarHBondContact O-N 3.23Å; T175-F179 PolarHBondContact O-N 3.05Å; T175-F179 VanDerWaalsContact O-N 3.11Å |
| 176 | T | 53.3 | Low | 63.7 | Low | 75 Ų | 75 | 120 Ų | 120 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | -18.8 | 176 | -159.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 177 | N | 49.9 | Very low | 61.3 | Low | 143 Ų | 143 | 123.8 Ų | 123.8 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -10.5 | 176.4 | -98.5 | -4.4 | 0 | 0 | 0 | 114.1 | T175 | T175-N177 PolarHBondContact O-N 3.07Š|
| 178 | V | 53.9 | Low | 58.9 | Low | 104 Ų | 104 | 127 Ų | 127 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -25.1 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | T175 | T175-V178 PolarHBondContact O-N 3.23Š|
| 179 | F | 50.4 | Low | 56.4 | Low | 176 Ų | 176 | 129.6 Ų | 129.6 | 77% | 0.772 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 4.7 | 178.1 | -92.5 | -88.2 | 0 | 0 | 0 | 115 | T175 | T175-F179 PolarHBondContact O-N 3.05Å; T175-F179 VanDerWaalsContact O-N 3.11Å |
| 180 | R | 49.4 | Very low | 54.2 | Low | 199 Ų | 199 | 136.3 Ų | 136.3 | 75% | 0.751 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 9.5 | 171.2 | -72.3 | -164.1 | -166.9 | -96.8 | 3.7 | 114.4 | ||
| 181 | N | 45.4 | Very low | 51.5 | Low | 123 Ų | 123 | 133.4 Ų | 133.4 | 66% | 0.658 | 71% | 0.707 | S | S | * | * | trans | -131.8 | 86.6 | 168.5 | -86.9 | -32.9 | 0 | 0 | 0 | 109.9 | G183 | N181-G183 PolarHBondContact O-N 3.31Š| ||
| 182 | P | 46.3 | Very low | 49.7 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 80.2 | 159.4 | 32.8 | -29.1 | 0 | 0 | 0 | 107.3 | ||
| 183 | G | 46 | Very low | 48 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.3 | -11.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | N181 | N181-G183 PolarHBondContact O-N 3.31Š|
| 184 | T | 44.2 | Very low | 47.2 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | -141.5 | 77.9 | -178.1 | 43.1 | 0 | 0 | 0 | 0 | 112.7 | L186 | T184-L186 PolarHBondContact O-N 3.06Š| ||
| 185 | L | 48.8 | Very low | 46.4 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 93% | 0.932 | 74% | 0.739 | S | S | * | * | trans | -88.4 | 81.2 | 155.6 | -67.4 | -177.9 | 0 | 0 | 0 | 108.9 | ||||
| 186 | L | 45.3 | Very low | 45.8 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -137.1 | 131 | 161.8 | -79.8 | 169.3 | 0 | 0 | 0 | 109.1 | T184 T188 | T184-L186 PolarHBondContact O-N 3.06Å; L186-T188 PolarHBondContact O-N 3.4Å | ||
| 187 | P | 46.8 | Very low | 45.2 | Very low | 135 Ų | 135 | 142 Ų | 142 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -69.4 | 92.4 | 165.6 | -12.6 | 28 | 0 | 0 | 0 | 109.1 | H189 | P187-H189 PolarHBondContact O-N 3.47Š| ||
| 188 | T | 44.7 | Very low | 44.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -75.3 | 110.2 | 172.3 | -69.1 | 0 | 0 | 0 | 0 | 109.3 | L186 H190 | L186-T188 PolarHBondContact O-N 3.4Å; T188-H190 PolarHBondContact O-N 3.09Å | ||
| 189 | H | 42.8 | Very low | 44 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | -45.5 | 129.4 | 162.7 | -151 | -109.6 | 0 | 0 | 0 | 109.7 | P187 G191 | P187-H189 PolarHBondContact O-N 3.47Å; H189-G191 PolarHBondContact O-N 3.48Å | ||
| 190 | H | 44.5 | Very low | 43.4 | Very low | 199 Ų | 199 | 137 Ų | 137 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -61.2 | 110.7 | 174.1 | -92.4 | -79.3 | 0 | 0 | 0 | 109.8 | T188 | T188-H190 PolarHBondContact O-N 3.09Š|
| 191 | G | 36.8 | Very low | 42.9 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | -169.7 | 93 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | H189 | H189-G191 PolarHBondContact O-N 3.48Š| ||
| 192 | L | 47.7 | Very low | 42.5 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | 32.3 | 97.7 | 148.1 | -154.1 | 77.5 | 0 | 0 | 0 | 118.5 | ||||
| 193 | H | 38.9 | Very low | 42 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 73% | 0.731 | 80% | 0.798 | S | S | * | * | trans | -167.1 | 115 | 135.6 | -145.4 | -127.4 | 0 | 0 | 0 | 110.9 | ||||
| 194 | S | 44.6 | Very low | 41.4 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -113.7 | 97.6 | 168.2 | 172.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 195 | Q | 40.2 | Very low | 41.3 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 66% | 0.659 | 80% | 0.803 | S | S | * | * | trans | -165.5 | 130.1 | 162.4 | -131.4 | 176.4 | -35.4 | 0 | 0 | 113.2 | ||||
| 196 | F | 41.9 | Very low | 41 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | trans | 52 | 114.4 | 160.5 | 70.5 | -93.4 | 0 | 0 | 0 | 119.5 | ||||
| 197 | N | 40.1 | Very low | 40.6 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | -178.6 | 131.4 | 99.1 | -105.6 | -1.6 | 0 | 0 | 0 | 112.4 | |||||
| 198 | S | 41.2 | Very low | 40.5 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -91.2 | 165.4 | 164.8 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 199 | A | 37.8 | Very low | 40.8 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | 81.1 | 92.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 200 | A | 37.3 | Very low | 40.6 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | -164 | 75.2 | 134 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 201 | A | 39.7 | Very low | 40.6 | Very low | 106 Ų | 106 | 123 Ų | 123 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -84.5 | 104.6 | 160 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 202 | A | 36.6 | Very low | 40.4 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -180 | 144.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 203 | A | 36.3 | Very low | 39.7 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | 80.2 | 88.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 204 | A | 33.8 | Very low | 39.7 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | trans | -177 | 76.2 | 131.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | M206 | A204-M206 HydrophobicContact CB-CE 3.69Å; A204-M206 HydrophobicContact CB-SD 4.4Å; A204-M206 PolarHBondContact O-N 3.08Å | ||
| 205 | A | 40.7 | Very low | 39.6 | Very low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 99.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 206 | M | 43.5 | Very low | 39.8 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -140.8 | 110.1 | 164 | 6.1 | -81.8 | -165.8 | 0 | 0 | 109.7 | A204 | A204-M206 HydrophobicContact CB-CE 3.69Å; A204-M206 HydrophobicContact CB-SD 4.4Å; A204-M206 PolarHBondContact O-N 3.08Å | ||
| 207 | G | 37.2 | Very low | 39.4 | Very low | 75 Ų | 75 | 123.5 Ų | 123.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 71.9 | 91.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | S209 | G207-S209 PolarHBondContact O-N 3.42Š| ||
| 208 | D | 45.2 | Very low | 39.9 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -49.7 | 112.8 | 142.7 | -86.5 | -80.7 | 0 | 0 | 0 | 109.8 | ||||
| 209 | S | 49.1 | Very low | 40 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 161.6 | 85.2 | 147 | -78 | 0 | 0 | 0 | 0 | 110.7 | G207 | G207-S209 PolarHBondContact O-N 3.42Š| ||
| 210 | L | 39 | Very low | 40.4 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -159.9 | 85.4 | 156.4 | -76.8 | -171.3 | 0 | 0 | 0 | 111.4 | ||||
| 211 | C | 45.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | 170.5 | 70.3 | 123.4 | 54.9 | 0 | 0 | 0 | 0 | 112 | F213 | C211-F213 PolarHBondContact O-N 3.3Š| |||
| 212 | S | 33 | Very low | 40.7 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -62.4 | 127.4 | 147.2 | -90.2 | 0 | 0 | 0 | 0 | 108.5 | H214 | S212-H214 PolarHBondContact O-N 3.12Å; S212-H214 VanDerWaalsContact O-N 3.13Å | ||
| 213 | F | 32.7 | Very low | 41.1 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -60.2 | 105.7 | 175.8 | -171.9 | -95.3 | 0 | 0 | 0 | 110 | C211 A215 | C211-F213 PolarHBondContact O-N 3.3Å; F213-A215 PolarHBondContact O-N 3.46Å | ||
| 214 | H | 38.4 | Very low | 41.2 | Very low | 179 Ų | 179 | 129 Ų | 129 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -79.3 | 109.9 | 172.2 | -129.1 | -115.2 | 0 | 0 | 0 | 108.9 | S212 N216 | S212-H214 PolarHBondContact O-N 3.12Å; S212-H214 VanDerWaalsContact O-N 3.13Å; H214-N216 VanDerWaalsContact C-N 3.33Å; H214-N216 PolarHBondContact O-N 3.48Å | ||
| 215 | A | 42.2 | Very low | 41.5 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -72.3 | 83.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F213 | F213-A215 PolarHBondContact O-N 3.46Š| ||
| 216 | N | 45.4 | Very low | 41.6 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -156.9 | 73.8 | 152.8 | -156.3 | 19.8 | 0 | 0 | 0 | 110.6 | H214 T218 | H214-N216 VanDerWaalsContact C-N 3.33Å; H214-N216 PolarHBondContact O-N 3.48Å; N216-T218 PolarHBondContact O-N 3.09Å; N216-T218 PolarHBondContact OD1-OG1 3.42Å | ||
| 217 | D | 33.2 | Very low | 41.7 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 58% | 0.583 | 77% | 0.773 | S | S | * | * | trans | -86.3 | 79.7 | 173.7 | -140.3 | -60.9 | 0 | 0 | 0 | 108.7 | R219 | D217-R219 PolarHBondContact O-N 3.16Å; D217-R219 VanDerWaalsContact O-N 3.15Å; D217-R219 VanDerWaalsContact OD1-CB 3.28Å; D217-R219 WeakPolarHBondContact OD1-CB 3.32Å; D217-R219 WeakPolarHBondContact OD1-CD 3.45Å; D217-R219 VanDerWaalsContact OD1-CG 3.31Å; D217-R219 WeakPolarHBondContact OD1-CG 3.36Å; D217-R219 IonicContact OD1-NH1 3.75Å | ||
| 218 | T | 49.4 | Very low | 41.8 | Very low | 86 Ų | 86 | 134 Ų | 134 | 53% | 0.528 | 78% | 0.78 | S | S | . | * | trans | -81 | 38.6 | 169.8 | -41.9 | 0 | 0 | 0 | 0 | 111.1 | N216 W220 A221 | N216-T218 PolarHBondContact O-N 3.09Å; N216-T218 PolarHBondContact OD1-OG1 3.42Å; T218-W220 PolarHBondContact O-N 3.11Å; T218-A221 HydrophobicContact CG2-CB 3.59Å | ||
| 219 | R | 43.5 | Very low | 41.6 | Very low | 212 Ų | 212 | 131.6 Ų | 131.6 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 13 | 178.2 | -70.6 | -177 | 57.1 | -93.2 | -5.3 | 114.4 | D217 | D217-R219 PolarHBondContact O-N 3.16Å; D217-R219 VanDerWaalsContact O-N 3.15Å; D217-R219 VanDerWaalsContact OD1-CB 3.28Å; D217-R219 WeakPolarHBondContact OD1-CB 3.32Å; D217-R219 WeakPolarHBondContact OD1-CD 3.45Å; D217-R219 VanDerWaalsContact OD1-CG 3.31Å; D217-R219 WeakPolarHBondContact OD1-CG 3.36Å; D217-R219 IonicContact OD1-NH1 3.75Å |
| 220 | W | 47.2 | Very low | 41.1 | Very low | 226 Ų | 226 | 135.8 Ų | 135.8 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | 11.5 | 175.2 | 57.2 | -84.4 | 0 | 0 | 0 | 114.6 | T218 T222 | T218-W220 PolarHBondContact O-N 3.11Å; W220-T222 PolarHBondContact O-N 3.42Å; W220-T222 VanDerWaalsContact O-N 3.17Å |
| 221 | A | 39.1 | Very low | 41.1 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 55% | 0.554 | 78% | 0.779 | S | S | * | * | trans | -82.9 | 96.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T218 | T218-A221 HydrophobicContact CG2-CB 3.59Š| ||
| 222 | T | 43 | Very low | 40.6 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | 28.3 | 113.3 | 137.3 | -48.6 | 0 | 0 | 0 | 0 | 117.7 | W220 G224 | W220-T222 PolarHBondContact O-N 3.42Å; W220-T222 VanDerWaalsContact O-N 3.17Å; T222-G224 PolarHBondContact O-N 3.06Å | ||
| 223 | A | 46 | Very low | 40.9 | Very low | 111 Ų | 111 | 137 Ų | 137 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -57.6 | 107.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 224 | G | 37.7 | Very low | 41.7 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | -138.2 | 117.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | T222 | T222-G224 PolarHBondContact O-N 3.06Š| ||
| 225 | M | 39.9 | Very low | 42.8 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -10.2 | 148.6 | 170.7 | -55.7 | -73.6 | 89.8 | 0 | 0 | 119.8 | ||||
| 226 | P | 42.6 | Very low | 42.5 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -84.3 | 137.6 | 170.8 | 35.1 | -29.6 | 0 | 0 | 0 | 111 | ||||
| 227 | G | 45.5 | Very low | 42.1 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 139.7 | 90.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 228 | V | 39.5 | Very low | 42.1 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 92% | 0.915 | 78% | 0.777 | S | S | * | * | trans | -168.8 | 144.5 | 134.7 | -85 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 229 | S | 41.6 | Very low | 41.6 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -54.6 | 142 | -170.5 | -44.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 230 | Q | 39.4 | Very low | 41.2 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -110.6 | 121.5 | 164 | -100 | -104.8 | 13.2 | 0 | 0 | 109.6 | Q232 | Q230-Q232 PolarHBondContact O-N 3.33Š| ||
| 231 | L | 38.1 | Very low | 40.7 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -67 | 112.4 | 176.3 | -99.6 | 67.8 | 0 | 0 | 0 | 111.9 | ||||
| 232 | Q | 34.8 | Very low | 40.6 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 32.3 | 112.8 | 116.4 | -166.7 | 88.6 | -40.2 | 0 | 0 | 121.3 | Q230 | Q230-Q232 PolarHBondContact O-N 3.33Š| |||
| 233 | L | 38.8 | Very low | 40.6 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | trans | 76.6 | 158.7 | 139.4 | -70.6 | 166.5 | 0 | 0 | 0 | 122.7 | ||||
| 234 | P | 50.6 | Low | 40.1 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -134.9 | -178.8 | -9.7 | 22.6 | 3.3 | 0 | 0 | 0 | 116.9 | ||||
| 235 | P | 61.8 | Low | 40.2 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -113.6 | 169.4 | -167.2 | 41.1 | -29.7 | 0 | 0 | 0 | 115.7 | ||||
| 236 | A | 34.7 | Very low | 40.1 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | -163.5 | 129.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 237 | L | 37.4 | Very low | 40 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | 56.7 | 127.4 | 142.4 | -62.6 | 161.2 | 0 | 0 | 0 | 119 | ||||
| 238 | G | 34.6 | Very low | 39.5 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | cis | 149.4 | 132.1 | 7.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 239 | R | 37.8 | Very low | 39.5 | Very low | 255 Ų | 255 | 144.5 Ų | 144.5 | 96% | 0.962 | 79% | 0.791 | S | S | * | * | trans | -177.1 | 134.9 | 135.6 | -113 | -173.7 | 174.9 | -105.2 | 2.2 | 112.9 | ||||
| 240 | Q | 36 | Very low | 39.5 | Very low | 144 Ų | 144 | 145 Ų | 145 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | trans | -82.3 | 143 | -179.7 | -177.7 | -131 | -27.6 | 0 | 0 | 111.3 | ||||
| 241 | H | 35.4 | Very low | 39.4 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -158.5 | 136.9 | 134.4 | -154.6 | 66 | 0 | 0 | 0 | 111.9 | ||||
| 242 | Q | 37.9 | Very low | 38.9 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -96.6 | -179.9 | -175.4 | -95.3 | 178.8 | -14.5 | 0 | 0 | 112.1 | ||||
| 243 | H | 42.6 | Very low | 38.9 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 114.8 | 137.7 | 158.6 | -71.9 | -99.9 | 0 | 0 | 0 | 113.1 | ||||
| 244 | A | 35.4 | Very low | 38.9 | Very low | 68 Ų | 68 | 141.8 Ų | 141.8 | 56% | 0.562 | 80% | 0.8 | S | S | * | * | cis | 178.2 | 129.4 | -25 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 245 | M | 39.7 | Very low | 38.1 | Very low | 188 Ų | 188 | 142 Ų | 142 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | 60.9 | 125.6 | 137.9 | -47.7 | -172.7 | -156.3 | 0 | 0 | 122.6 | ||||
| 246 | A | 38.1 | Very low | 36.7 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | 159.9 | 100.3 | 127.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 247 | Q | 39.6 | Very low | 37.8 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | 49.7 | 109.4 | 87.7 | -64.3 | -164 | 28 | 0 | 0 | 115.5 | |||||
| 248 | S | 36.5 | Very low | 38.7 | Very low | 123 Ų | 123 | 139 Ų | 139 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | -160.3 | 120.9 | 127.4 | -167.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 249 | L | 39.3 | Very low | 39.5 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -77.9 | 150.8 | 167.8 | -65.9 | 161.2 | 0 | 0 | 0 | 109.3 | ||||
| 250 | S | 40.4 | Very low | 39.6 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -168.6 | 119.2 | 137.9 | -80.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 251 | Q | 37.2 | Very low | 39.6 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -91.3 | 150.5 | 168.9 | -53.3 | -172.6 | 45.7 | 0 | 0 | 109.3 | ||||
| 252 | C | 28.5 | Very low | 39.8 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | 176.2 | 115.1 | 130.1 | 45.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 253 | S | 34.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | 37.4 | 130.6 | 125.9 | -55.6 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 254 | L | 38.5 | Very low | 39.3 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | 64 | 116.1 | 126.4 | -65.7 | 164.9 | 0 | 0 | 0 | 122 | |||||
| 255 | S | 34.1 | Very low | 39.2 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | 163.4 | 114.6 | 133.6 | 57.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 256 | G | 33.6 | Very low | 38.9 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | 102.7 | 125.9 | 76.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 257 | P | 56.7 | Low | 38.8 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -98 | 163.8 | -176.4 | 37.9 | -32.1 | 0 | 0 | 0 | 113.1 | ||||
| 258 | P | 55.8 | Low | 38.6 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | trans | -135.5 | 172.1 | 151.4 | 28.8 | -8.2 | 0 | 0 | 0 | 114.4 | ||||
| 259 | P | 51.2 | Low | 38.7 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | -117.1 | 177 | -134.2 | 42.7 | -34.9 | 0 | 0 | 0 | 116.8 | ||||
| 260 | N | 40.4 | Very low | 38.7 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -13.9 | 138.1 | 163.6 | -54.7 | -32.6 | 0 | 0 | 0 | 119.3 | ||||
| 261 | S | 35.4 | Very low | 38.3 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -150.4 | 132.2 | 140.4 | 74.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 262 | M | 39.4 | Very low | 38.3 | Very low | 195 Ų | 195 | 127.1 Ų | 127.1 | 96% | 0.961 | 82% | 0.816 | S | S | * | * | trans | -65.5 | 155.4 | 172.4 | -62 | -166.8 | -81.1 | 0 | 0 | 112.5 | ||||
| 263 | G | 34.9 | Very low | 38.5 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -168.3 | 102.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 264 | L | 36.3 | Very low | 38.7 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -72.1 | 173.5 | 175.2 | -74.8 | 158.5 | 0 | 0 | 0 | 112.1 | ||||
| 265 | S | 32.5 | Very low | 38.6 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 77.6 | 115.2 | 160.4 | 48.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 266 | N | 33.9 | Very low | 38.6 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | -141.2 | 136.1 | 131.5 | -162.2 | 26.9 | 0 | 0 | 0 | 111.7 | ||||
| 267 | M | 36.7 | Very low | 38.7 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -80.6 | 152.8 | -166.3 | 53.1 | -132 | 151.1 | 0 | 0 | 114.5 | ||||
| 268 | S | 35.7 | Very low | 37.7 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -45 | 139.4 | 157.6 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 269 | S | 38.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -151.6 | 134.8 | 153.8 | 39.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 270 | N | 38.1 | Very low | 36.2 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -75.1 | 169.5 | -172.6 | -65.8 | -48.4 | 0 | 0 | 0 | 114.2 | ||||
| 271 | G | 32.7 | Very low | 36 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 147.8 | 90 | 153.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 272 | S | 36.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | 81.7 | 114.9 | 71.6 | -62.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 273 | G | 32.4 | Very low | 36.9 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 82.2 | 146.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 274 | L | 38.7 | Very low | 37.7 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | cis | -160.8 | 157.7 | 24.7 | -85.1 | 168.7 | 0 | 0 | 0 | 111.8 | ||||
| 275 | Q | 37.7 | Very low | 37.6 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -74.4 | 161.5 | 173.3 | -70.4 | 177.8 | 0.6 | 0 | 0 | 114.4 | ||||
| 276 | S | 34.4 | Very low | 37.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 176.2 | 115.7 | 118.8 | 34.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 277 | H | 35.3 | Very low | 38.8 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | 65.6 | 124 | 96.3 | -74.8 | -81.2 | 0 | 0 | 0 | 113.4 | |||||
| 278 | L | 34.1 | Very low | 39.1 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | -168.7 | 140 | 63.6 | -78 | 156.9 | 0 | 0 | 0 | 110.6 | |||||
| 279 | Y | 39.2 | Very low | 39.2 | Very low | 239 Ų | 239 | 136.6 Ų | 136.6 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | 173.8 | 114.9 | 124.7 | -99.5 | -75.6 | 0 | 0 | 0 | 108.9 | |||||
| 280 | Q | 36.3 | Very low | 39 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -116.3 | 150 | 173.1 | -93.3 | -132.3 | 82.5 | 0 | 0 | 109.3 | ||||
| 281 | N | 37.8 | Very low | 38.9 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -167.4 | 163.3 | 134.5 | -118.4 | 39.3 | 0 | 0 | 0 | 110.5 | ||||
| 282 | P | 57.1 | Low | 39 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 51% | 0.513 | 81% | 0.807 | S | S | . | * | -129.3 | 173.2 | -113.3 | 32.6 | -11 | 0 | 0 | 0 | 114.2 | |||||
| 283 | F | 36.8 | Very low | 38.9 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | 173.3 | 159.3 | 140.8 | -92.2 | -56.1 | 0 | 0 | 0 | 110.2 | ||||
| 284 | P | 51 | Low | 39.7 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -119.2 | 159.6 | -129.6 | 34 | -16.3 | 0 | 0 | 0 | 115 | |||||
| 285 | G | 33.4 | Very low | 39.8 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 106.9 | 97.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 286 | M | 40.4 | Very low | 39.7 | Very low | 185 Ų | 185 | 136 Ų | 136 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | 170 | 143.5 | 111.9 | -73.7 | -123.2 | 85 | 0 | 0 | 109.1 | |||||
| 287 | V | 52.1 | Low | 39.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -65.5 | 157.4 | -161.1 | -63.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 288 | P | 43.7 | Very low | 39.9 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -100.7 | 133.7 | 163.9 | 35.2 | -24.9 | 0 | 0 | 0 | 111.4 | ||||
| 289 | A | 37.9 | Very low | 39.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -104.8 | 133.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 290 | S | 34.5 | Very low | 39.9 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -64 | 145.1 | -169.9 | -52 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 291 | L | 35.2 | Very low | 40.4 | Very low | 177 Ų | 177 | 125 Ų | 125 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -74.3 | 129.8 | 166 | -74.7 | 157.9 | 0 | 0 | 0 | 110.7 | ||||
| 292 | S | 35.5 | Very low | 40.2 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -125.7 | 126.8 | 153.7 | -68.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 293 | G | 34.2 | Very low | 39.5 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -64.1 | 175.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 294 | P | 49.3 | Very low | 39.3 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | -151.5 | 163.8 | 67.1 | 38.6 | -17.7 | 0 | 0 | 0 | 117.7 | |||||
| 295 | T | 39.2 | Very low | 38.7 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 24.8 | 128.8 | 145.3 | 63.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 296 | N | 36.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 67.1 | 115.9 | 130.3 | -156.9 | -15.8 | 0 | 0 | 0 | 119.2 | ||||
| 297 | V | 33.2 | Very low | 39.2 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -162.2 | 127.3 | 125.5 | -83.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 298 | T | 41.3 | Very low | 38.8 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -19.1 | 131.1 | 152 | -56.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 299 | G | 31.6 | Very low | 38.8 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -168.3 | 100 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 300 | S | 41.6 | Very low | 39 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -54.4 | 157.9 | 162 | -66 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 301 | P | 45.1 | Very low | 40 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | -126.9 | 141.3 | 127.9 | 26.4 | -11.8 | 0 | 0 | 0 | 112.7 | |||||
| 302 | Q | 35.7 | Very low | 40.8 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -58 | 149.2 | 177.9 | -74.7 | -81.8 | 5.2 | 0 | 0 | 113.5 | ||||
| 303 | L | 42.3 | Very low | 41.6 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -24.6 | 133.5 | 153.2 | -65.4 | 156.8 | 0 | 0 | 0 | 115.4 | ||||
| 304 | C | 32 | Very low | 42.6 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -143.3 | 89.1 | 136.8 | -163.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 305 | S | 37.5 | Very low | 43.6 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -83.7 | 116.3 | 165.3 | -62.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 306 | S | 32.7 | Very low | 45.5 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -113.7 | 121.9 | 150.5 | -106.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 307 | P | 51.5 | Low | 47.4 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | -63.4 | 156.8 | 157 | 30.9 | -23.6 | 0 | 0 | 0 | 105.3 | ||||
| 308 | E | 44.8 | Very low | 49.2 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | S | Bend | -166.7 | 10.3 | 75.1 | -39.7 | -166.6 | 98.6 | 0 | 0 | 111.5 | |||
| 309 | N | 44 | Very low | 51.2 | Low | 148 Ų | 148 | 118.8 Ų | 118.8 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -120.3 | 13.2 | -162.9 | -68.9 | -57.8 | 0 | 0 | 0 | 117.6 | ||
| 310 | D | 40.9 | Very low | 53.6 | Low | 114 Ų | 114 | 120.5 Ų | 120.5 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -118.2 | 16.4 | -176.2 | -79.2 | -63.6 | 0 | 0 | 0 | 116.2 | W312 R313 | D310-W312 PolarHBondContact O-N 3.06Å; D310-W312 VanDerWaalsContact O-N 3.15Å; D310-R313 PolarHBondContact O-N 3.1Å; D310-R313 IonicContact OD1-NE 2.88Å | ||
| 311 | V | 55.3 | Low | 55.7 | Low | 116 Ų | 116 | 123.6 Ų | 123.6 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -20.3 | -177.8 | -171.5 | 0 | 0 | 0 | 0 | 113 | ||
| 312 | W | 52.9 | Low | 57.2 | Low | 237 Ų | 237 | 125 Ų | 125 | 90% | 0.898 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -10.9 | -176.6 | -64 | 101.4 | 0 | 0 | 0 | 115 | D310 | D310-W312 PolarHBondContact O-N 3.06Å; D310-W312 VanDerWaalsContact O-N 3.15Å |
| 313 | R | 53.2 | Low | 59.5 | Low | 217 Ų | 217 | 124.9 Ų | 124.9 | 82% | 0.819 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -92.6 | -4.6 | -173.5 | -145.3 | 179.6 | -69.2 | -91.6 | 3.3 | 114 | D310 | D310-R313 PolarHBondContact O-N 3.1Å; D310-R313 IonicContact OD1-NE 2.88Å |
| 314 | G | 54.4 | Low | 61.3 | Low | 65 Ų | 65 | 120.8 Ų | 120.8 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | trans | -119 | -2.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | S316 | G314-S316 PolarHBondContact O-N 3.44Š| ||
| 315 | T | 69.2 | Low | 63.5 | Low | 82 Ų | 82 | 120.2 Ų | 120.2 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | trans | -85 | 86.9 | -176.2 | 37.3 | 0 | 0 | 0 | 0 | 111.8 | L320 | T315-L320 HydrophobicContact CG2-CD1 4.07Š| ||
| 316 | S | 79.5 | Confident | 65.3 | Low | 67 Ų | 67 | 121.9 Ų | 121.9 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | trans | -53.8 | 143.9 | 168.8 | 175.1 | 0 | 0 | 0 | 0 | 111 | G314 A318 S319 L320 | G314-S316 PolarHBondContact O-N 3.44Å; S316-A318 PolarHBondContact O-N 3.07Å; S316-A318 PolarHBondContact OG-N 3.49Å; S316-S319 WeakPolarHBondContact O-CA 3.3Å; S316-S319 WeakPolarHBondContact O-CB 3.39Å; S316-S319 PolarHBondContact O-N 3.09Å; S316-L320 PolarHBondContact O-N 2.81Å; S316-L320 VanDerWaalsContact O-N 3.09Å | ||
| 317 | I | 75.9 | Confident | 67 | Low | 123 Ų | 123 | 122.9 Ų | 122.9 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -50.5 | -32 | 172.2 | -90.5 | 159.1 | 0 | 0 | 0 | 111.9 | R321 | I317-R321 WeakPolarHBondContact O-CB 3.25Å; I317-R321 VanDerWaalsContact O-CG 3.3Å; I317-R321 WeakPolarHBondContact O-CG 3.38Å; I317-R321 PolarHBondContact O-N 3.05Å |
| 318 | A | 71.7 | Confident | 67.9 | Low | 52 Ų | 52 | 122 Ų | 122 | 43% | 0.43 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.7 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S316 R322 | S316-A318 PolarHBondContact O-N 3.07Å; S316-A318 PolarHBondContact OG-N 3.49Å; A318-R322 PolarHBondContact O-N 3.16Å; A318-R322 VanDerWaalsContact O-N 3.1Å |
| 319 | S | 82.6 | Confident | 69 | Low | 44 Ų | 44 | 118.7 Ų | 118.7 | 31% | 0.308 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.9 | -40.2 | 176.9 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | S316 R321 R322 K323 | S316-S319 WeakPolarHBondContact O-CA 3.3Å; S316-S319 WeakPolarHBondContact O-CB 3.39Å; S316-S319 PolarHBondContact O-N 3.09Å; S319-R321 VanDerWaalsContact C-N 3.35Å; S319-R321 PolarHBondContact O-N 3.04Å; S319-R322 PolarHBondContact O-N 3.43Å; S319-K323 WeakPolarHBondContact O-CB 3.49Å; S319-K323 PolarHBondContact O-N 3.18Å |
| 320 | L | 82.8 | Confident | 70.2 | Confident | 106 Ų | 106 | 115.8 Ų | 115.8 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.5 | -42.6 | 173.5 | -110.5 | 75.7 | 0 | 0 | 0 | 112 | T315 S316 K323 A324 | T315-L320 HydrophobicContact CG2-CD1 4.07Å; S316-L320 PolarHBondContact O-N 2.81Å; S316-L320 VanDerWaalsContact O-N 3.09Å; L320-K323 PolarHBondContact O-N 3.04Å; L320-A324 PolarHBondContact O-N 3.44Å |
| 321 | R | 84.9 | Confident | 71.3 | Confident | 179 Ų | 179 | 115.8 Ų | 115.8 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.6 | -43.3 | 178.2 | -76.7 | 174.9 | 175.1 | 175.6 | -1 | 112.6 | I317 S319 A324 L325 | I317-R321 WeakPolarHBondContact O-CB 3.25Å; I317-R321 VanDerWaalsContact O-CG 3.3Å; I317-R321 WeakPolarHBondContact O-CG 3.38Å; I317-R321 PolarHBondContact O-N 3.05Å; S319-R321 VanDerWaalsContact C-N 3.35Å; S319-R321 PolarHBondContact O-N 3.04Å; R321-A324 PolarHBondContact O-N 3.36Å; R321-L325 PolarHBondContact O-N 3Å |
| 322 | R | 78.3 | Confident | 71.7 | Confident | 158 Ų | 158 | 114.4 Ų | 114.4 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62 | -46.8 | 175.9 | -78.6 | -172.9 | -70.2 | 161.2 | -1.8 | 111.7 | A318 S319 A324 L325 E326 | A318-R322 PolarHBondContact O-N 3.16Å; A318-R322 VanDerWaalsContact O-N 3.1Å; S319-R322 PolarHBondContact O-N 3.43Å; R322-A324 VanDerWaalsContact C-N 3.27Å; R322-A324 PolarHBondContact O-N 3.02Å; R322-L325 WeakPolarHBondContact O-CB 3.48Å; R322-L325 PolarHBondContact O-N 3.22Å; R322-E326 PolarHBondContact O-N 3.18Å |
| 323 | K | 82.6 | Confident | 71.9 | Confident | 162 Ų | 162 | 112 Ų | 112 | 70% | 0.704 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.7 | -33.5 | 179.5 | -164.7 | 165.2 | -177.2 | 171.7 | 0 | 112.8 | S319 L320 H327 | S319-K323 WeakPolarHBondContact O-CB 3.49Å; S319-K323 PolarHBondContact O-N 3.18Å; L320-K323 PolarHBondContact O-N 3.04Å; K323-H327 PolarHBondContact O-N 3.3Å; K323-H327 VanDerWaalsContact O-N 3.09Å |
| 324 | A | 80.7 | Confident | 71.7 | Confident | 57 Ų | 57 | 109.8 Ų | 109.8 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.7 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L320 R321 R322 H327 T328 | L320-A324 PolarHBondContact O-N 3.44Å; R321-A324 PolarHBondContact O-N 3.36Å; R322-A324 VanDerWaalsContact C-N 3.27Å; R322-A324 PolarHBondContact O-N 3.02Å; A324-H327 PolarHBondContact O-N 3.39Å; A324-T328 WeakPolarHBondContact O-CG2 3.45Å; A324-T328 PolarHBondContact O-N 3.15Å; A324-T328 PolarHBondContact O-OG1 3.31Å |
| 325 | L | 77.9 | Confident | 72.6 | Confident | 116 Ų | 116 | 112 Ų | 112 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66 | -41.6 | 176.7 | -69.6 | 171.3 | 0 | 0 | 0 | 111.8 | R321 R322 H327 T328 V329 | R321-L325 PolarHBondContact O-N 3Å; R322-L325 WeakPolarHBondContact O-CB 3.48Å; R322-L325 PolarHBondContact O-N 3.22Å; L325-H327 VanDerWaalsContact C-N 3.31Å; L325-H327 PolarHBondContact O-N 3.31Å; L325-T328 WeakPolarHBondContact CA-OG1 3.38Å; L325-T328 PolarHBondContact O-N 3.35Å; L325-T328 VanDerWaalsContact O-N 3.16Å; L325-T328 PolarHBondContact O-OG1 3.44Å; L325-V329 WeakPolarHBondContact O-CG2 3.41Å; L325-V329 PolarHBondContact O-N 3.38Å |
| 326 | E | 74.6 | Confident | 72.8 | Confident | 140 Ų | 140 | 113.6 Ų | 113.6 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.9 | -38.6 | 175.9 | -68.4 | -176.4 | 179.2 | 0 | 0 | 112 | R322 T328 V329 S330 | R322-E326 PolarHBondContact O-N 3.18Å; E326-T328 VanDerWaalsContact C-N 3.33Å; E326-T328 PolarHBondContact O-N 3.44Å; E326-V329 PolarHBondContact O-N 3.15Å; E326-S330 PolarHBondContact O-N 3.23Å |
| 327 | H | 69.6 | Low | 72.4 | Confident | 130 Ų | 130 | 116.2 Ų | 116.2 | 60% | 0.602 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.9 | -35.1 | 174.9 | -164 | -84.9 | 0 | 0 | 0 | 112.5 | K323 A324 L325 M331 | K323-H327 PolarHBondContact O-N 3.3Å; K323-H327 VanDerWaalsContact O-N 3.09Å; A324-H327 PolarHBondContact O-N 3.39Å; L325-H327 VanDerWaalsContact C-N 3.31Å; L325-H327 PolarHBondContact O-N 3.31Å; H327-M331 WeakPolarHBondContact O-CG 3.36Å; H327-M331 PolarHBondContact O-N 3.24Å |
| 328 | T | 69.4 | Low | 72.2 | Confident | 87 Ų | 87 | 115.8 Ų | 115.8 | 53% | 0.534 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.3 | -34.5 | 174.1 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | A324 L325 E326 | A324-T328 WeakPolarHBondContact O-CG2 3.45Å; A324-T328 PolarHBondContact O-N 3.15Å; A324-T328 PolarHBondContact O-OG1 3.31Å; L325-T328 WeakPolarHBondContact CA-OG1 3.38Å; L325-T328 PolarHBondContact O-N 3.35Å; L325-T328 VanDerWaalsContact O-N 3.16Å; L325-T328 PolarHBondContact O-OG1 3.44Å; E326-T328 VanDerWaalsContact C-N 3.33Å; E326-T328 PolarHBondContact O-N 3.44Å |
| 329 | V | 69.4 | Low | 72.2 | Confident | 92 Ų | 92 | 119.8 Ų | 119.8 | 56% | 0.558 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.9 | -41.1 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L325 E326 M331 S332 | L325-V329 WeakPolarHBondContact O-CG2 3.41Å; L325-V329 PolarHBondContact O-N 3.38Å; E326-V329 PolarHBondContact O-N 3.15Å; V329-M331 VanDerWaalsContact C-N 3.29Å; V329-M331 PolarHBondContact O-N 3.01Å; V329-S332 PolarHBondContact O-N 3.45Å; V329-S332 VanDerWaalsContact O-N 3.13Å; V329-S332 PolarHBondContact O-OG 3.06Å |
| 330 | S | 68.4 | Low | 71.5 | Confident | 87 Ų | 87 | 124.8 Ų | 124.8 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.3 | -35.3 | 178.1 | -168.3 | 0 | 0 | 0 | 0 | 113.1 | E326 S332 | E326-S330 PolarHBondContact O-N 3.23Å; S330-S332 VanDerWaalsContact C-N 3.3Å; S330-S332 PolarHBondContact O-N 3.46Å |
| 331 | M | 64.1 | Low | 70.7 | Confident | 115 Ų | 115 | 126.1 Ų | 126.1 | 57% | 0.567 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -78.5 | -9.7 | 178.2 | -70.4 | -99 | 67.3 | 0 | 0 | 114.3 | H327 V329 F333 | H327-M331 WeakPolarHBondContact O-CG 3.36Å; H327-M331 PolarHBondContact O-N 3.24Å; V329-M331 VanDerWaalsContact C-N 3.29Å; V329-M331 PolarHBondContact O-N 3.01Å; M331-F333 VanDerWaalsContact C-N 3.34Å |
| 332 | S | 64.1 | Low | 69.6 | Low | 86 Ų | 86 | 122.1 Ų | 122.1 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -88.1 | -0.9 | 178.3 | 65.8 | 0 | 0 | 0 | 0 | 114 | V329 S330 | V329-S332 PolarHBondContact O-N 3.45Å; V329-S332 VanDerWaalsContact O-N 3.13Å; V329-S332 PolarHBondContact O-OG 3.06Å; S330-S332 VanDerWaalsContact C-N 3.3Å; S330-S332 PolarHBondContact O-N 3.46Å |
| 333 | F | 56.3 | Low | 68.9 | Low | 187 Ų | 187 | 119.1 Ų | 119.1 | 82% | 0.82 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -116.2 | 15.6 | -177.1 | -104.4 | -83.6 | 0 | 0 | 0 | 114.5 | M331 | M331-F333 VanDerWaalsContact C-N 3.34Š|
| 334 | T | 49.9 | Very low | 67.7 | Low | 170 Ų | 170 | 115.2 Ų | 115.2 | 100% | 1.043 | 64% | 0.642 | S | S | * | * | trans | -115.3 | 0 | 172.7 | 62 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 334 of 334 residues in 771.2 ms
(Link to these results)