| 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 | 55.9 | Low | 66.7 | Low | 152 Ų | 152 | 122.9 Ų | 122.9 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | 0 | -74 | 0 | -53 | -153.8 | -51 | 0 | 0 | 112.5 | K3 M4 L5 | M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.95Å; M1-K3 VanDerWaalsContact O-N 3.08Å; M1-M4 WeakPolarHBondContact O-CA 3.49Å; M1-M4 WeakPolarHBondContact O-CB 3.26Å; M1-M4 PolarHBondContact O-N 2.87Å; M1-L5 PolarHBondContact O-N 3.36Å | |||
| 2 | R | 62.3 | Low | 66 | Low | 217 Ų | 217 | 125 Ų | 125 | 82% | 0.819 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -48.6 | -42.2 | -173.9 | -162 | 176 | -174.1 | 179.4 | 1.9 | 115.2 | L6 | R2-L6 HydrophobicContact CG-CD1 4.45Å; R2-L6 WeakPolarHBondContact O-CB 3.32Å; R2-L6 WeakPolarHBondContact O-CG 3.45Å; R2-L6 PolarHBondContact O-N 3.06Å |
| 3 | K | 63.9 | Low | 65.3 | Low | 188 Ų | 188 | 128 Ų | 128 | 82% | 0.817 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.6 | -37.3 | 175 | -69.3 | -167.8 | 175.8 | -172.2 | 0 | 114.5 | M1 F7 | M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.95Å; M1-K3 VanDerWaalsContact O-N 3.08Å; K3-F7 WeakPolarHBondContact O-CB 3.4Å; K3-F7 PolarHBondContact O-N 3.15Å |
| 4 | M | 62.9 | Low | 64.3 | Low | 134 Ų | 134 | 126 Ų | 126 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.1 | -43.2 | 174.6 | -89 | -70 | -173.5 | 0 | 0 | 111.3 | M1 L6 F7 C8 | M1-M4 WeakPolarHBondContact O-CA 3.49Å; M1-M4 WeakPolarHBondContact O-CB 3.26Å; M1-M4 PolarHBondContact O-N 2.87Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.08Å; M4-F7 WeakPolarHBondContact O-CB 3.47Å; M4-F7 PolarHBondContact O-N 3.35Å; M4-F7 VanDerWaalsContact O-N 3.11Å; M4-C8 PolarHBondContact O-N 3.48Å; M4-C8 PolarHBondContact O-SG 3.44Å; M4-C8 VanDerWaalsContact O-SG 3.35Å |
| 5 | L | 70 | Confident | 63.1 | Low | 113 Ų | 113 | 122.2 Ų | 122.2 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.1 | -37.1 | 177.9 | -171.6 | 135.3 | 0 | 0 | 0 | 111.6 | M1 I9 | M1-L5 PolarHBondContact O-N 3.36Å; L5-I9 HydrophobicContact CD2-CD1 3.63Å; L5-I9 HydrophobicContact CG-CD1 4.35Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.5Å; L5-I9 PolarHBondContact O-N 3.13Å |
| 6 | L | 73.1 | Confident | 62.1 | Low | 96 Ų | 96 | 124.1 Ų | 124.1 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.5 | -39.1 | 168.8 | -85.3 | 163.9 | 0 | 0 | 0 | 112.9 | R2 M4 I9 L10 | R2-L6 HydrophobicContact CG-CD1 4.45Å; R2-L6 WeakPolarHBondContact O-CB 3.32Å; R2-L6 WeakPolarHBondContact O-CG 3.45Å; R2-L6 PolarHBondContact O-N 3.06Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.08Å; L6-I9 PolarHBondContact O-N 2.87Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.94Å |
| 7 | F | 74.4 | Confident | 61.2 | Low | 124 Ų | 124 | 127.4 Ų | 127.4 | 54% | 0.544 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.2 | -44.2 | 177.2 | -172.3 | -105.7 | 0 | 0 | 0 | 112 | K3 M4 I9 L10 L11 | K3-F7 WeakPolarHBondContact O-CB 3.4Å; K3-F7 PolarHBondContact O-N 3.15Å; M4-F7 WeakPolarHBondContact O-CB 3.47Å; M4-F7 PolarHBondContact O-N 3.35Å; M4-F7 VanDerWaalsContact O-N 3.11Å; F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.82Å; F7-L10 PolarHBondContact O-N 3.32Å; F7-L11 HydrophobicContact CD1-CD1 4Å; F7-L11 HydrophobicContact CE1-CD1 3.68Å; F7-L11 HydrophobicContact CE1-CG 4.4Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.41Å; F7-L11 PolarHBondContact O-N 3.33Å |
| 8 | C | 64.9 | Low | 60.3 | Low | 41 Ų | 41 | 126.2 Ų | 126.2 | 28% | 0.277 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.2 | -38.9 | 173.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | M4 L11 L12 | M4-C8 PolarHBondContact O-N 3.48Å; M4-C8 PolarHBondContact O-SG 3.44Å; M4-C8 VanDerWaalsContact O-SG 3.35Å; C8-L11 PolarHBondContact O-N 2.89Å; C8-L12 WeakPolarHBondContact O-CG 3.4Å; C8-L12 PolarHBondContact O-N 3.11Å |
| 9 | I | 74.1 | Confident | 59.4 | Low | 76 Ų | 76 | 128 Ų | 128 | 39% | 0.39 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.4 | -40.7 | 174.8 | -69.3 | 169.3 | 0 | 0 | 0 | 110.9 | L5 L6 F7 L11 L12 F13 | L5-I9 HydrophobicContact CD2-CD1 3.63Å; L5-I9 HydrophobicContact CG-CD1 4.35Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.5Å; L5-I9 PolarHBondContact O-N 3.13Å; L6-I9 PolarHBondContact O-N 2.87Å; F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.82Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.34Å; I9-L12 CarbonylContact O-C 3.58Å; I9-L12 PolarHBondContact O-N 3Å; I9-L12 VanDerWaalsContact O-N 3.12Å; I9-F13 HydrophobicContact CG2-CD2 3.84Å; I9-F13 HydrophobicContact CG2-CE2 4.24Å; I9-F13 WeakPolarHBondContact O-CB 3.24Å; I9-F13 WeakPolarHBondContact O-CD2 3.19Å; I9-F13 PolarHBondContact O-N 3Å |
| 10 | L | 69.4 | Low | 58.4 | Low | 98 Ų | 98 | 126.9 Ų | 126.9 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.8 | -39.2 | 175.7 | -103.8 | 161.9 | 0 | 0 | 0 | 112.5 | L6 F7 L12 F13 M14 | L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.94Å; F7-L10 PolarHBondContact O-N 3.32Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.07Å; L10-F13 CarbonylContact O-C 3.54Å; L10-F13 PolarHBondContact O-N 3.41Å; L10-M14 HydrophobicContact CD2-CE 4.34Å; L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.45Å |
| 11 | L | 63.1 | Low | 57.8 | Low | 113 Ų | 113 | 126.1 Ų | 126.1 | 59% | 0.592 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.2 | -32.1 | 174.4 | -70.4 | 172.4 | 0 | 0 | 0 | 112.8 | F7 C8 I9 F13 | F7-L11 HydrophobicContact CD1-CD1 4Å; F7-L11 HydrophobicContact CE1-CD1 3.68Å; F7-L11 HydrophobicContact CE1-CG 4.4Å; F7-L11 HydrophobicContact CZ-CD1 4.25Å; F7-L11 WeakPolarHBondContact O-CG 3.41Å; F7-L11 PolarHBondContact O-N 3.33Å; C8-L11 PolarHBondContact O-N 2.89Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.34Å; L11-F13 VanDerWaalsContact C-N 3.34Å |
| 12 | L | 58.1 | Low | 57.1 | Low | 148 Ų | 148 | 125.9 Ų | 125.9 | 78% | 0.775 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.2 | -15.5 | 173.7 | -68.7 | 168.5 | 0 | 0 | 0 | 113.6 | C8 I9 L10 | C8-L12 WeakPolarHBondContact O-CG 3.4Å; C8-L12 PolarHBondContact O-N 3.11Å; I9-L12 CarbonylContact O-C 3.58Å; I9-L12 PolarHBondContact O-N 3Å; I9-L12 VanDerWaalsContact O-N 3.12Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.07Å |
| 13 | F | 56.2 | Low | 56.2 | Low | 164 Ų | 164 | 119.1 Ų | 119.1 | 72% | 0.719 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 19 | -178.7 | -90 | -88.6 | 0 | 0 | 0 | 113.6 | I9 L10 L11 P15 | I9-F13 HydrophobicContact CG2-CD2 3.84Å; I9-F13 HydrophobicContact CG2-CE2 4.24Å; I9-F13 WeakPolarHBondContact O-CB 3.24Å; I9-F13 WeakPolarHBondContact O-CD2 3.19Å; I9-F13 PolarHBondContact O-N 3Å; L10-F13 CarbonylContact O-C 3.54Å; L10-F13 PolarHBondContact O-N 3.41Å; L11-F13 VanDerWaalsContact C-N 3.34Å; F13-P15 WeakPolarHBondContact O-CD 3.5Å |
| 14 | M | 51.7 | Low | 55.2 | Low | 100 Ų | 100 | 115.2 Ų | 115.2 | 49% | 0.493 | 61% | 0.614 | S | S | . | * | trans | -90.9 | 100.8 | 170.2 | -83.5 | -73.5 | 165.9 | 0 | 0 | 110.4 | L10 Q16 | L10-M14 HydrophobicContact CD2-CE 4.34Å; L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.45Å; M14-Q16 PolarHBondContact O-N 3.19Å | ||
| 15 | P | 46.5 | Very low | 54.8 | Low | 69 Ų | 69 | 117.6 Ų | 117.6 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -74 | -9.7 | -175.8 | 32.4 | -37.7 | 0 | 0 | 0 | 113.5 | F13 F17 T18 | F13-P15 WeakPolarHBondContact O-CD 3.5Å; P15-F17 PolarHBondContact O-N 2.95Å; P15-T18 PolarHBondContact O-N 3.18Å; P15-T18 PolarHBondContact O-OG1 3.46Å |
| 16 | Q | 47.2 | Very low | 53.6 | Low | 153 Ų | 153 | 119.9 Ų | 119.9 | 72% | 0.715 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -63.3 | -5.9 | -173 | -60.3 | -78.5 | -69.4 | 0 | 0 | 114.5 | M14 | M14-Q16 PolarHBondContact O-N 3.19Š|
| 17 | F | 46.1 | Very low | 52.1 | Low | 179 Ų | 179 | 125.8 Ų | 125.8 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -117.6 | -3 | -179.8 | -69.9 | -75.2 | 0 | 0 | 0 | 114.6 | P15 | P15-F17 PolarHBondContact O-N 2.95Š|
| 18 | T | 46.5 | Very low | 50.2 | Low | 106 Ų | 106 | 128.3 Ų | 128.3 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -16.4 | -172.8 | 44 | 0 | 0 | 0 | 0 | 115.2 | P15 | P15-T18 PolarHBondContact O-N 3.18Å; P15-T18 PolarHBondContact O-OG1 3.46Å |
| 19 | E | 42 | Very low | 48.9 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -97.2 | -11.4 | -170.3 | -60.8 | -171.7 | 147.2 | 0 | 0 | 114.6 | ||
| 20 | S | 40.4 | Very low | 47.3 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -89.4 | 0.7 | -172.1 | -49.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 21 | C | 45 | Very low | 45.5 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | -121.5 | 20.4 | -166.3 | -66.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 22 | L | 41.1 | Very low | 44 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -90.9 | 117.9 | 169.6 | -70.4 | 176.1 | 0 | 0 | 0 | 110.3 | ||||
| 23 | P | 43.6 | Very low | 42.9 | Very low | 75 Ų | 75 | 141.7 Ų | 141.7 | 49% | 0.487 | 73% | 0.726 | S | S | . | * | trans | -68.7 | 148.4 | -179.2 | 29.2 | -35.6 | 0 | 0 | 0 | 111.9 | W25 F26 | P23-W25 PolarHBondContact O-N 3.36Å; P23-W25 VanDerWaalsContact O-N 3.09Å; P23-F26 PolarHBondContact O-N 3.2Å | ||
| 24 | S | 43.7 | Very low | 41.7 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -61.5 | -23.2 | -167.3 | 51.5 | 0 | 0 | 0 | 0 | 115.7 | F26 R27 | S24-F26 PolarHBondContact O-N 2.74Å; S24-F26 VanDerWaalsContact O-N 3.15Å; S24-R27 PolarHBondContact O-N 3.49Å; S24-R27 VanDerWaalsContact O-N 3.16Å |
| 25 | W | 54.5 | Low | 40.8 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -62.9 | -20.9 | -177.9 | 69.4 | -97.3 | 0 | 0 | 0 | 113.9 | P23 R27 Q28 | P23-W25 PolarHBondContact O-N 3.36Å; P23-W25 VanDerWaalsContact O-N 3.09Å; W25-R27 PolarHBondContact O-N 2.94Å; W25-R27 VanDerWaalsContact O-N 3.14Å; W25-Q28 PolarHBondContact O-N 3.36Å |
| 26 | F | 43.7 | Very low | 40.3 | Very low | 160 Ų | 160 | 152 Ų | 152 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -72.4 | 0.8 | 176.7 | -131 | -87.5 | 0 | 0 | 0 | 114.3 | P23 S24 | P23-F26 PolarHBondContact O-N 3.2Å; S24-F26 PolarHBondContact O-N 2.74Å; S24-F26 VanDerWaalsContact O-N 3.15Å |
| 27 | R | 41.1 | Very low | 39.4 | Very low | 221 Ų | 221 | 153.7 Ų | 153.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -102.6 | -3 | 177.8 | -70.9 | -172.7 | 175.8 | -120.3 | 1.6 | 114.9 | S24 W25 E29 | S24-R27 PolarHBondContact O-N 3.49Å; S24-R27 VanDerWaalsContact O-N 3.16Å; W25-R27 PolarHBondContact O-N 2.94Å; W25-R27 VanDerWaalsContact O-N 3.14Å; R27-E29 PolarHBondContact O-N 2.9Å |
| 28 | Q | 34.8 | Very low | 38.6 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -82.4 | 111.2 | 178.7 | -150.8 | 68.6 | 24.2 | 0 | 0 | 110.5 | W25 | W25-Q28 PolarHBondContact O-N 3.36Š| ||
| 29 | E | 37.4 | Very low | 37.7 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -62.5 | 135.5 | 179.2 | -62.9 | -177.4 | 128.3 | 0 | 0 | 110.9 | R27 S31 | R27-E29 PolarHBondContact O-N 2.9Å; E29-S31 PolarHBondContact O-N 3.14Å | ||
| 30 | R | 40.5 | Very low | 37.1 | Very low | 253 Ų | 253 | 150.4 Ų | 150.4 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | 37.1 | 70.4 | 96.6 | -79.1 | -170.8 | 172.8 | -176.6 | -1.2 | 114.6 | |||||
| 31 | S | 33.1 | Very low | 36.6 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -121.8 | 141.9 | 150.4 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | E29 | E29-S31 PolarHBondContact O-N 3.14Š| ||
| 32 | A | 30.4 | Very low | 35.8 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 159.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 33 | P | 36 | Very low | 35.3 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 127.3 | -179 | 30.4 | -34 | 0 | 0 | 0 | 112 | ||
| 34 | E | 30.8 | Very low | 34.6 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 168 | 159.8 | -86 | -166.8 | 117.7 | 0 | 0 | 111.7 | ||
| 35 | Q | 31.9 | Very low | 34 | Very low | 193 Ų | 193 | 157.8 Ų | 157.8 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 164.5 | -159.1 | -65.5 | -178.2 | -7.7 | 0 | 0 | 114.9 | ||
| 36 | L | 36 | Very low | 32.7 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -42.5 | 124.3 | 170.6 | -67.3 | 152.3 | 0 | 0 | 0 | 115.1 | ||||
| 37 | Q | 29 | Very low | 31.9 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | -174.2 | 123.1 | 129.9 | -97.8 | 146.8 | 91.2 | 0 | 0 | 107.5 | |||||
| 38 | S | 28.1 | Very low | 31.4 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | 90.9 | 155.6 | 56.2 | -163 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 39 | A | 29.2 | Very low | 31.3 | Very low | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 84% | 0.836 | S | S | * | * | trans | 67.5 | 121.2 | -159.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | E | 28.4 | Very low | 32.2 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | cis | 83.1 | 116.3 | 37.8 | -166.4 | -178 | 159.2 | 0 | 0 | 112.8 | ||||
| 41 | N | 29.8 | Very low | 32.2 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | 142.2 | 82.3 | 157.4 | -81.4 | -62.7 | 0 | 0 | 0 | 112.8 | ||||
| 42 | A | 29.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | -164.7 | 72.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 43 | A | 30.4 | Very low | 32.1 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -122.9 | 118.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | E | 29.6 | Very low | 31.8 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -157.2 | 122.6 | 161.5 | -128.8 | 173.6 | -145.8 | 0 | 0 | 110.2 | ||||
| 45 | N | 29.7 | Very low | 31.8 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 37.2 | 134 | 159.6 | -65.1 | -36.1 | 0 | 0 | 0 | 121 | ||||
| 46 | S | 28.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | cis | -145.6 | 160.3 | 24 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 47 | G | 26.7 | Very low | 31.5 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -156.6 | 158.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 48 | S | 31.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -169.1 | 124.4 | 170.6 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 49 | V | 31.4 | Very low | 32.1 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -159.9 | 145.3 | 172.1 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 50 | P | 55.9 | Low | 32.4 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | cis | -111.9 | -149 | -27.4 | 38.4 | -19.6 | 0 | 0 | 0 | 109.4 | ||||
| 51 | P | 41 | Very low | 32.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | -137 | -177.5 | 53.5 | 38.6 | -18.1 | 0 | 0 | 0 | 115.6 | |||||
| 52 | D | 33.9 | Very low | 33 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -72.9 | 166.3 | -175.7 | -46.4 | -95.6 | 0 | 0 | 0 | 115.7 | ||||
| 53 | T | 27.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | 168.7 | 133 | 114.1 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 54 | S | 30.1 | Very low | 33.3 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | trans | 75.6 | 124.5 | 151.8 | 68.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 55 | R | 31.2 | Very low | 33.4 | Very low | 224 Ų | 224 | 137.3 Ų | 137.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | 77.8 | 116.6 | 125.3 | -75.1 | 179.1 | 170.6 | 163.2 | -2.9 | 123.5 | |||||
| 56 | N | 29.6 | Very low | 33.7 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | 88 | 156.7 | 126.2 | -72.3 | 26.8 | 0 | 0 | 0 | 121.9 | |||||
| 57 | S | 31.7 | Very low | 34.3 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 62.4 | 97.9 | 167.2 | 37 | 0 | 0 | 0 | 0 | 118 | ||||
| 58 | L | 34.5 | Very low | 34.6 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -66.4 | 140.5 | 133.4 | -101.1 | 69.3 | 0 | 0 | 0 | 108.2 | ||||
| 59 | E | 35.4 | Very low | 34.5 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -111.1 | 140.3 | 158.3 | -71.8 | -173.7 | 132 | 0 | 0 | 109 | ||||
| 60 | T | 34.2 | Very low | 34.3 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 129.8 | -179 | 47.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 61 | N | 37.3 | Very low | 33.1 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 155.9 | 175.5 | -78 | -49.8 | 0 | 0 | 0 | 112.8 | ||
| 62 | E | 34.3 | Very low | 32.5 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 171.5 | -162.3 | -154.9 | 175.1 | 153.1 | 0 | 0 | 114.8 | ||
| 63 | I | 34.9 | Very low | 33.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 158.9 | -168.2 | -67.1 | 147.7 | 0 | 0 | 0 | 115.7 | ||
| 64 | G | 31.3 | Very low | 33.3 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -139.5 | 129.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 65 | D | 32.3 | Very low | 33.5 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 165.9 | -165.9 | -69.4 | -64 | 0 | 0 | 0 | 116.9 | ||
| 66 | A | 34.4 | Very low | 33.9 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 149.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 67 | P | 40.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 160.4 | 179.8 | 34.5 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 68 | S | 32.5 | Very low | 34 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -135.3 | 147 | -177 | -175.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 69 | S | 29.6 | Very low | 33.8 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -160.3 | 109.7 | 168.2 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 70 | T | 28.8 | Very low | 33.6 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | 90.2 | 102.8 | 75.7 | -62.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 71 | S | 29 | Very low | 34 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -176.5 | 168 | 130.1 | 44 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 72 | T | 29.4 | Very low | 34.1 | Very low | 137 Ų | 137 | 128 Ų | 128 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -137.9 | -168.9 | -155.4 | -13.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 73 | P | 47.3 | Very low | 34.7 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | -118.4 | 177.1 | -127.9 | 43.9 | -28.7 | 0 | 0 | 0 | 115.7 | |||||
| 74 | E | 31.1 | Very low | 35.2 | Very low | 195 Ų | 195 | 125.6 Ų | 125.6 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -135.7 | 155.6 | 155.8 | -68.3 | -165.7 | 158.5 | 0 | 0 | 111.5 | ||||
| 75 | T | 33.2 | Very low | 36 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -136 | 156.2 | 172.6 | -33.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 76 | P | 40.6 | Very low | 37.2 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | -153.4 | 165 | 109.9 | 38.6 | -21.4 | 0 | 0 | 0 | 117.4 | |||||
| 77 | T | 30.3 | Very low | 38.2 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | 69.2 | 112.7 | 146.2 | 39.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 78 | E | 32.1 | Very low | 39.1 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | 86.1 | 111.2 | 120.6 | -83.8 | -168.9 | 153.9 | 0 | 0 | 124.4 | |||||
| 79 | T | 30.9 | Very low | 40.6 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | 89 | 130.5 | 129.1 | -40.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 80 | T | 30.5 | Very low | 42.3 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | 108 | 110 | 152.2 | -26.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 81 | I | 44 | Very low | 44.2 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -8.1 | 137.2 | 137.2 | -8.6 | 178.1 | 0 | 0 | 0 | 113.7 | ||||
| 82 | S | 39.6 | Very low | 46.3 | Very low | 86 Ų | 86 | 129 Ų | 129 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | cis | -164.2 | 168.5 | 45 | -53.9 | 0 | 0 | 0 | 0 | 114.7 | A84 | S82-A84 PolarHBondContact O-N 3.23Š| ||
| 83 | E | 46.9 | Very low | 48.4 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 94% | 0.935 | 70% | 0.701 | S | S | * | * | trans | 18.1 | 91 | 145.4 | -62.2 | 173.7 | 145.2 | 0 | 0 | 117.6 | ||||
| 84 | A | 44.9 | Very low | 49.8 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 60% | 0.595 | 69% | 0.688 | S | S | * | * | trans | -146.8 | -3.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S82 | S82-A84 PolarHBondContact O-N 3.23Š| ||
| 85 | G | 48.2 | Very low | 51.8 | Low | 56 Ų | 56 | 120.2 Ų | 120.2 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86.3 | -21.9 | -164 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 86 | D | 56.3 | Low | 53.9 | Low | 139 Ų | 139 | 120.9 Ų | 120.9 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -87 | -35.7 | -177.6 | -79.8 | -46.6 | 0 | 0 | 0 | 112.9 | R90 | D86-R90 VanDerWaalsContact O-CB 3.31Å; D86-R90 WeakPolarHBondContact O-CB 3.45Å; D86-R90 PolarHBondContact O-N 2.84Å |
| 87 | D | 55.4 | Low | 55.6 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.5 | -40.1 | 179.9 | -75 | -46.5 | 0 | 0 | 0 | 112.3 | R90 T91 | D87-R90 PolarHBondContact O-N 2.9Å; D87-T91 PolarHBondContact O-N 3.38Å; D87-T91 PolarHBondContact O-OG1 2.68Å |
| 88 | E | 60.9 | Low | 57.8 | Low | 143 Ų | 143 | 120.1 Ų | 120.1 | 67% | 0.668 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.1 | -50.3 | 176.8 | -175.3 | 169.6 | -142.5 | 0 | 0 | 110.8 | R90 T91 E92 | E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.21Å; E88-T91 WeakPolarHBondContact CA-OG1 3.4Å; E88-T91 PolarHBondContact O-N 3.44Å; E88-T91 VanDerWaalsContact O-N 3.13Å; E88-T91 PolarHBondContact O-OG1 3.16Å; E88-E92 PolarHBondContact O-N 2.96Å |
| 89 | K | 63.8 | Low | 60.1 | Low | 135 Ų | 135 | 117.1 Ų | 117.1 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.9 | -37.9 | 175.4 | -171.5 | -176.6 | 178.3 | -168.9 | 0 | 112.8 | E92 E93 | K89-E92 PolarHBondContact O-N 2.99Å; K89-E93 PolarHBondContact O-N 3.13Å |
| 90 | R | 64.8 | Low | 62.3 | Low | 172 Ų | 172 | 117.7 Ų | 117.7 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.6 | -34.8 | 176.5 | -170.1 | 178 | -175.4 | -176.5 | 1.9 | 112.3 | D86 D87 E88 V94 | D86-R90 VanDerWaalsContact O-CB 3.31Å; D86-R90 WeakPolarHBondContact O-CB 3.45Å; D86-R90 PolarHBondContact O-N 2.84Å; D87-R90 PolarHBondContact O-N 2.9Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.21Å; R90-V94 WeakPolarHBondContact O-CG2 3.3Å; R90-V94 PolarHBondContact O-N 3.02Å; R90-V94 VanDerWaalsContact O-N 3.1Å |
| 91 | T | 68.1 | Low | 64.4 | Low | 95 Ų | 95 | 117.1 Ų | 117.1 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70 | -34.2 | 172.2 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | D87 E88 A95 | D87-T91 PolarHBondContact O-N 3.38Å; D87-T91 PolarHBondContact O-OG1 2.68Å; E88-T91 WeakPolarHBondContact CA-OG1 3.4Å; E88-T91 PolarHBondContact O-N 3.44Å; E88-T91 VanDerWaalsContact O-N 3.13Å; E88-T91 PolarHBondContact O-OG1 3.16Å; T91-A95 VanDerWaalsContact O-CB 3.25Å; T91-A95 WeakPolarHBondContact O-CB 3.39Å; T91-A95 PolarHBondContact O-N 3.13Å |
| 92 | E | 73.8 | Confident | 65.7 | Low | 141 Ų | 141 | 115.9 Ų | 115.9 | 66% | 0.659 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.7 | -42.5 | 173.2 | -171.2 | 178.8 | -152.9 | 0 | 0 | 111.7 | E88 K89 A95 K96 | E88-E92 PolarHBondContact O-N 2.96Å; K89-E92 PolarHBondContact O-N 2.99Å; E92-A95 PolarHBondContact O-N 3Å; E92-K96 WeakPolarHBondContact O-CB 3.19Å; E92-K96 PolarHBondContact O-N 2.83Å |
| 93 | E | 73.3 | Confident | 67.2 | Low | 139 Ų | 139 | 114.7 Ų | 114.7 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -42.5 | 176.8 | -167 | 164.7 | -130.5 | 0 | 0 | 112.2 | K89 K96 E97 | K89-E93 PolarHBondContact O-N 3.13Å; E93-K96 PolarHBondContact O-N 2.03Å; E93-E97 PolarHBondContact O-N 3.01Å |
| 94 | V | 76.8 | Confident | 68.6 | Low | 71 Ų | 71 | 111.8 Ų | 111.8 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -38.2 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | R90 K96 E97 L98 | R90-V94 WeakPolarHBondContact O-CG2 3.3Å; R90-V94 PolarHBondContact O-N 3.02Å; R90-V94 VanDerWaalsContact O-N 3.1Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.88Å; V94-E97 PolarHBondContact O-N 2.8Å; V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 WeakPolarHBondContact O-CG 3.26Å; V94-L98 PolarHBondContact O-N 2.72Å |
| 95 | A | 74.1 | Confident | 69.5 | Low | 45 Ų | 45 | 115.1 Ų | 115.1 | 37% | 0.372 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.8 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T91 E92 L98 I99 | T91-A95 VanDerWaalsContact O-CB 3.25Å; T91-A95 WeakPolarHBondContact O-CB 3.39Å; T91-A95 PolarHBondContact O-N 3.13Å; E92-A95 PolarHBondContact O-N 3Å; A95-L98 PolarHBondContact O-N 3.2Å; A95-I99 WeakPolarHBondContact O-CD1 3.44Å; A95-I99 VanDerWaalsContact O-CG1 3.29Å; A95-I99 WeakPolarHBondContact O-CG1 2.97Å; A95-I99 PolarHBondContact O-N 3.29Å |
| 96 | K | 76.1 | Confident | 70.3 | Confident | 141 Ų | 141 | 118.9 Ų | 118.9 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.1 | -43.4 | 174.6 | -168.5 | -175.8 | 174.1 | -165.3 | 0 | 112.4 | E92 E93 V94 L98 I99 E100 | E92-K96 WeakPolarHBondContact O-CB 3.19Å; E92-K96 PolarHBondContact O-N 2.83Å; E93-K96 PolarHBondContact O-N 2.03Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.88Å; K96-L98 VanDerWaalsContact C-N 3.26Å; K96-L98 PolarHBondContact O-N 2.89Å; K96-I99 PolarHBondContact O-N 2.92Å; K96-E100 WeakPolarHBondContact O-CB 3.15Å; K96-E100 PolarHBondContact O-N 2.72Å |
| 97 | E | 77.8 | Confident | 70.7 | Confident | 102 Ų | 102 | 113.7 Ų | 113.7 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -35.3 | 175.3 | -165.3 | -165.7 | 145.8 | 0 | 0 | 112 | E93 V94 K101 | E93-E97 PolarHBondContact O-N 3.01Å; V94-E97 PolarHBondContact O-N 2.8Å; E97-K101 HydrophobicContact CG-CD 4.49Å; E97-K101 WeakPolarHBondContact O-CB 2.93Å; E97-K101 WeakPolarHBondContact O-CG 3.36Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 VanDerWaalsContact O-N 3.16Å; E97-K101 IonicContact OE1-NZ 2.59Å; E97-K101 PolarHBondContact OE1-NZ 3.2Å |
| 98 | L | 75.3 | Confident | 71.3 | Confident | 109 Ų | 109 | 113.8 Ų | 113.8 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.4 | -46.5 | 174.1 | -76.3 | 164.3 | 0 | 0 | 0 | 112 | V94 A95 K96 E100 K101 E102 | V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 WeakPolarHBondContact O-CG 3.26Å; V94-L98 PolarHBondContact O-N 2.72Å; A95-L98 PolarHBondContact O-N 3.2Å; K96-L98 VanDerWaalsContact C-N 3.26Å; K96-L98 PolarHBondContact O-N 2.89Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 2.84Å; L98-K101 PolarHBondContact O-N 3.2Å; L98-E102 WeakPolarHBondContact O-CB 3.5Å; L98-E102 PolarHBondContact O-N 3.48Å |
| 99 | I | 80.2 | Confident | 71.4 | Confident | 110 Ų | 110 | 113.8 Ų | 113.8 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -38.4 | 177.7 | -68.3 | 162.6 | 0 | 0 | 0 | 111.4 | A95 K96 K101 E102 A103 | A95-I99 WeakPolarHBondContact O-CD1 3.44Å; A95-I99 VanDerWaalsContact O-CG1 3.29Å; A95-I99 WeakPolarHBondContact O-CG1 2.97Å; A95-I99 PolarHBondContact O-N 3.29Å; K96-I99 PolarHBondContact O-N 2.92Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.32Å; I99-E102 PolarHBondContact O-N 3.07Å; I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 2.81Å |
| 100 | E | 77.9 | Confident | 71.6 | Confident | 128 Ų | 128 | 114.2 Ų | 114.2 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -37.8 | 177.4 | -167.3 | 162.6 | 178.2 | 0 | 0 | 111.4 | K96 L98 E104 | K96-E100 WeakPolarHBondContact O-CB 3.15Å; K96-E100 PolarHBondContact O-N 2.72Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 2.84Å; E100-E104 WeakPolarHBondContact O-CB 3.44Å; E100-E104 PolarHBondContact O-N 3.01Å |
| 101 | K | 74.6 | Confident | 71.6 | Confident | 105 Ų | 105 | 111.5 Ų | 111.5 | 46% | 0.457 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.9 | -32.7 | 173.9 | -76.1 | 170.9 | 175.4 | 170.8 | 0 | 114.3 | E97 L98 I99 E104 Y105 | E97-K101 HydrophobicContact CG-CD 4.49Å; E97-K101 WeakPolarHBondContact O-CB 2.93Å; E97-K101 WeakPolarHBondContact O-CG 3.36Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 VanDerWaalsContact O-N 3.16Å; E97-K101 IonicContact OE1-NZ 2.59Å; E97-K101 PolarHBondContact OE1-NZ 3.2Å; L98-K101 PolarHBondContact O-N 3.2Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.32Å; K101-E104 PolarHBondContact O-N 3.45Å; K101-Y105 WeakPolarHBondContact O-CB 3.43Å; K101-Y105 PolarHBondContact O-N 2.74Å |
| 102 | E | 70.1 | Confident | 71.6 | Confident | 126 Ų | 126 | 113.1 Ų | 113.1 | 59% | 0.589 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -43.2 | 173.7 | -167.6 | 163.1 | -148.2 | 0 | 0 | 109.7 | L98 I99 Y105 E106 | L98-E102 WeakPolarHBondContact O-CB 3.5Å; L98-E102 PolarHBondContact O-N 3.48Å; I99-E102 PolarHBondContact O-N 3.07Å; E102-Y105 PolarHBondContact O-N 2.03Å; E102-E106 WeakPolarHBondContact O-CG 3.05Å; E102-E106 PolarHBondContact O-N 3.47Å |
| 103 | A | 72 | Confident | 71.4 | Confident | 60 Ų | 60 | 111.8 Ų | 111.8 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | I99 Y105 G107 | I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 2.81Å; A103-Y105 VanDerWaalsContact C-N 3.34Å; A103-G107 PolarHBondContact O-N 2.84Å |
| 104 | E | 76.4 | Confident | 71.1 | Confident | 140 Ų | 140 | 108.8 Ų | 108.8 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.9 | -42.4 | 172.1 | -173.5 | 174.4 | -149.7 | 0 | 0 | 111 | E100 K101 G107 E108 | E100-E104 WeakPolarHBondContact O-CB 3.44Å; E100-E104 PolarHBondContact O-N 3.01Å; K101-E104 PolarHBondContact O-N 3.45Å; E104-G107 PolarHBondContact O-N 3.34Å; E104-E108 PolarHBondContact O-N 3.38Å; E104-E108 VanDerWaalsContact O-N 3.09Å |
| 105 | Y | 63.4 | Low | 70.7 | Confident | 142 Ų | 142 | 110.8 Ų | 110.8 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -77.3 | -33.3 | -178.5 | -156.5 | -100 | 0 | 0 | 0 | 113.6 | K101 E102 A103 G107 Y109 | K101-Y105 WeakPolarHBondContact O-CB 3.43Å; K101-Y105 PolarHBondContact O-N 2.74Å; E102-Y105 PolarHBondContact O-N 2.03Å; A103-Y105 VanDerWaalsContact C-N 3.34Å; Y105-G107 VanDerWaalsContact C-N 3.35Å; Y105-Y109 HydrophobicContact CD1-CD2 4.19Å; Y105-Y109 HydrophobicContact CD1-CE2 4.3Å; Y105-Y109 AromaticContact CE1-CD2 3.96Å; Y105-Y109 HydrophobicContact CE1-CD2 3.96Å; Y105-Y109 AromaticContact CE1-CE2 3.61Å; Y105-Y109 HydrophobicContact CE1-CE2 3.61Å; Y105-Y109 AromaticContact CZ-CE2 3.97Å; Y105-Y109 PolarHBondContact O-N 2.69Å |
| 106 | E | 66.2 | Low | 70.5 | Confident | 134 Ų | 134 | 115.7 Ų | 115.7 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.3 | -39 | 168.2 | -75.1 | -169.7 | 145.3 | 0 | 0 | 111.2 | E102 Y109 E110 | E102-E106 WeakPolarHBondContact O-CG 3.05Å; E102-E106 PolarHBondContact O-N 3.47Å; E106-Y109 PolarHBondContact O-N 2.86Å; E106-E110 PolarHBondContact O-N 3.18Å |
| 107 | G | 64.7 | Low | 70 | Confident | 31 Ų | 31 | 114.2 Ų | 114.2 | 32% | 0.32 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.6 | -47.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A103 E104 Y105 Y109 E110 D111 | A103-G107 PolarHBondContact O-N 2.84Å; E104-G107 PolarHBondContact O-N 3.34Å; Y105-G107 VanDerWaalsContact C-N 3.35Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.9Å; G107-E110 PolarHBondContact O-N 2.99Å; G107-D111 PolarHBondContact O-N 2.92Å |
| 108 | E | 66 | Low | 69.8 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.8 | -37 | 176.5 | -167.5 | 170.2 | -143.9 | 0 | 0 | 111.6 | E104 E112 | E104-E108 PolarHBondContact O-N 3.38Å; E104-E108 VanDerWaalsContact O-N 3.09Å; E108-E112 PolarHBondContact O-N 3.42Å; E108-E112 VanDerWaalsContact O-N 3.1Å |
| 109 | Y | 64.9 | Low | 69.5 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72 | -33.9 | 174.9 | -101.8 | -97.1 | 0 | 0 | 0 | 114.5 | Y105 E106 G107 K113 | Y105-Y109 HydrophobicContact CD1-CD2 4.19Å; Y105-Y109 HydrophobicContact CD1-CE2 4.3Å; Y105-Y109 AromaticContact CE1-CD2 3.96Å; Y105-Y109 HydrophobicContact CE1-CD2 3.96Å; Y105-Y109 AromaticContact CE1-CE2 3.61Å; Y105-Y109 HydrophobicContact CE1-CE2 3.61Å; Y105-Y109 AromaticContact CZ-CE2 3.97Å; Y105-Y109 PolarHBondContact O-N 2.69Å; E106-Y109 PolarHBondContact O-N 2.86Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.9Å; Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.03Å; Y109-K113 PolarHBondContact O-N 3.14Å |
| 110 | E | 67 | Low | 69 | Low | 144 Ų | 144 | 116.2 Ų | 116.2 | 67% | 0.673 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.2 | -38.9 | 173.9 | -71.3 | -154 | 144.5 | 0 | 0 | 111.5 | E106 G107 K113 V114 | E106-E110 PolarHBondContact O-N 3.18Å; G107-E110 PolarHBondContact O-N 2.99Å; E110-K113 PolarHBondContact O-N 3.46Å; E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 3.22Å |
| 111 | D | 65.4 | Low | 68.3 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.3 | -48.6 | 177.4 | -81.3 | -18.2 | 0 | 0 | 0 | 112 | G107 K113 V114 D115 | G107-D111 PolarHBondContact O-N 2.92Å; D111-K113 PolarHBondContact O-N 3.18Å; D111-V114 PolarHBondContact O-N 3.07Å; D111-V114 VanDerWaalsContact O-N 3.17Å; D111-D115 PolarHBondContact O-N 3.13Å |
| 112 | E | 66.6 | Low | 67.9 | Low | 128 Ų | 128 | 113 Ų | 113 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -56.2 | -41 | 175 | -79.1 | -163.4 | 149.9 | 0 | 0 | 111.6 | E108 D115 E116 | E108-E112 PolarHBondContact O-N 3.42Å; E108-E112 VanDerWaalsContact O-N 3.1Å; E112-D115 PolarHBondContact O-N 3.35Å; E112-E116 PolarHBondContact O-N 3.29Å |
| 113 | K | 69.5 | Low | 67.9 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.7 | -33.6 | -179.8 | -178.6 | 179.7 | 168 | -61.5 | 0 | 112.8 | Y109 E110 D111 E117 | Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.03Å; Y109-K113 PolarHBondContact O-N 3.14Å; E110-K113 PolarHBondContact O-N 3.46Å; D111-K113 PolarHBondContact O-N 3.18Å; K113-E117 IonicContact NZ-OE1 2.62Å; K113-E117 PolarHBondContact NZ-OE1 2.95Å; K113-E117 WeakPolarHBondContact O-CG 3.43Å; K113-E117 PolarHBondContact O-N 3.06Å; K113-E117 VanDerWaalsContact O-N 3.07Å |
| 114 | V | 67.4 | Low | 67.2 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 47% | 0.467 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.4 | -40.9 | 173.9 | 166.6 | 0 | 0 | 0 | 0 | 110.6 | E110 D111 E117 V118 | E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 3.22Å; D111-V114 PolarHBondContact O-N 3.07Å; D111-V114 VanDerWaalsContact O-N 3.17Å; V114-E117 PolarHBondContact O-N 2.03Å; V114-V118 HydrophobicContact CG1-CG2 4.42Å; V114-V118 WeakPolarHBondContact O-CB 3.5Å; V114-V118 VanDerWaalsContact O-CG2 3.27Å; V114-V118 WeakPolarHBondContact O-CG2 3.43Å; V114-V118 PolarHBondContact O-N 3.17Å |
| 115 | D | 69.8 | Low | 66.5 | Low | 112 Ų | 112 | 116.6 Ų | 116.6 | 60% | 0.599 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.6 | -40.3 | 175.9 | -86.9 | -9.6 | 0 | 0 | 0 | 112 | D111 E112 V118 E119 | D111-D115 PolarHBondContact O-N 3.13Å; E112-D115 PolarHBondContact O-N 3.35Å; D115-V118 PolarHBondContact O-N 2.92Å; D115-E119 PolarHBondContact O-N 2.4Å |
| 116 | E | 68.2 | Low | 66.3 | Low | 149 Ų | 149 | 116.3 Ų | 116.3 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.3 | -44.8 | 171.9 | -76.2 | -160.1 | 151.2 | 0 | 0 | 112.6 | E112 V118 E119 E120 | E112-E116 PolarHBondContact O-N 3.29Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 3.14Å; E116-E119 PolarHBondContact O-N 2.97Å; E116-E120 PolarHBondContact O-N 3.49Å |
| 117 | E | 67.3 | Low | 65.8 | Low | 110 Ų | 110 | 114.6 Ų | 114.6 | 51% | 0.514 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.5 | -33.3 | 176.7 | -78 | -176.9 | -158.7 | 0 | 0 | 112.3 | K113 V114 A121 | K113-E117 IonicContact NZ-OE1 2.62Å; K113-E117 PolarHBondContact NZ-OE1 2.95Å; K113-E117 WeakPolarHBondContact O-CG 3.43Å; K113-E117 PolarHBondContact O-N 3.06Å; K113-E117 VanDerWaalsContact O-N 3.07Å; V114-E117 PolarHBondContact O-N 2.03Å; E117-A121 VanDerWaalsContact O-CB 3.25Å; E117-A121 WeakPolarHBondContact O-CB 3.25Å; E117-A121 PolarHBondContact O-N 2.93Å |
| 118 | V | 71.8 | Confident | 65.3 | Low | 69 Ų | 69 | 116.4 Ų | 116.4 | 42% | 0.418 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.9 | -42.4 | 174.6 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | V114 D115 E116 A121 L122 | V114-V118 HydrophobicContact CG1-CG2 4.42Å; V114-V118 WeakPolarHBondContact O-CB 3.5Å; V114-V118 VanDerWaalsContact O-CG2 3.27Å; V114-V118 WeakPolarHBondContact O-CG2 3.43Å; V114-V118 PolarHBondContact O-N 3.17Å; D115-V118 PolarHBondContact O-N 2.92Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 3.14Å; V118-A121 PolarHBondContact O-N 2.87Å; V118-L122 HydrophobicContact CG1-CD1 3.91Å; V118-L122 HydrophobicContact CG1-CG 4.37Å; V118-L122 WeakPolarHBondContact O-CB 3.26Å; V118-L122 VanDerWaalsContact O-CG 3.26Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 3.16Å |
| 119 | E | 70.5 | Confident | 64.6 | Low | 146 Ų | 146 | 115.8 Ų | 115.8 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64 | -42.6 | 174.9 | -75.9 | -151.3 | 162.5 | 0 | 0 | 112.1 | D115 E116 L122 K123 | D115-E119 PolarHBondContact O-N 2.4Å; E116-E119 PolarHBondContact O-N 2.97Å; E119-L122 PolarHBondContact O-N 3.14Å; E119-K123 VanDerWaalsContact O-CB 3.25Å; E119-K123 WeakPolarHBondContact O-CB 3.45Å; E119-K123 PolarHBondContact O-N 3.42Å |
| 120 | E | 68.7 | Low | 64.1 | Low | 148 Ų | 148 | 113.5 Ų | 113.5 | 69% | 0.692 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.8 | -42.2 | 175.3 | -174.6 | 168.7 | -144.3 | 0 | 0 | 111.4 | E116 K123 Y124 | E116-E120 PolarHBondContact O-N 3.49Å; E120-K123 PolarHBondContact O-N 2.92Å; E120-Y124 WeakPolarHBondContact O-CB 3.01Å; E120-Y124 PolarHBondContact O-N 2.76Å |
| 121 | A | 64.1 | Low | 63.4 | Low | 51 Ų | 51 | 110.9 Ų | 110.9 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E117 V118 N125 | E117-A121 VanDerWaalsContact O-CB 3.25Å; E117-A121 WeakPolarHBondContact O-CB 3.25Å; E117-A121 PolarHBondContact O-N 2.93Å; V118-A121 PolarHBondContact O-N 2.87Å; A121-N125 PolarHBondContact O-N 3.38Å; A121-N125 VanDerWaalsContact O-N 3.14Å; A121-N125 PolarHBondContact O-ND2 2.91Å |
| 122 | L | 65.2 | Low | 63 | Low | 113 Ų | 113 | 109.7 Ų | 109.7 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.2 | -47.2 | 176 | -75.1 | 170.2 | 0 | 0 | 0 | 111.2 | V118 E119 Y124 N125 E126 | V118-L122 HydrophobicContact CG1-CD1 3.91Å; V118-L122 HydrophobicContact CG1-CG 4.37Å; V118-L122 WeakPolarHBondContact O-CB 3.26Å; V118-L122 VanDerWaalsContact O-CG 3.26Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 3.16Å; E119-L122 PolarHBondContact O-N 3.14Å; L122-Y124 PolarHBondContact O-N 3.49Å; L122-N125 WeakPolarHBondContact O-CB 3.26Å; L122-N125 PolarHBondContact O-N 2.88Å; L122-N125 VanDerWaalsContact O-N 3.16Å; L122-E126 PolarHBondContact O-N 3.04Å |
| 123 | K | 70.3 | Confident | 62.5 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.3 | -43.1 | 177.8 | -178.6 | -177.1 | 175.9 | -172 | 0 | 112.5 | E119 E120 N125 E126 D127 | E119-K123 VanDerWaalsContact O-CB 3.25Å; E119-K123 WeakPolarHBondContact O-CB 3.45Å; E119-K123 PolarHBondContact O-N 3.42Å; E120-K123 PolarHBondContact O-N 2.92Å; K123-N125 VanDerWaalsContact C-N 3.3Å; K123-N125 PolarHBondContact O-N 2.87Å; K123-E126 PolarHBondContact O-N 3.36Å; K123-D127 PolarHBondContact O-N 2.87Å |
| 124 | Y | 58.2 | Low | 61.8 | Low | 171 Ų | 171 | 102 Ų | 102 | 67% | 0.671 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.6 | -39.5 | 174.6 | -179.9 | -94.5 | 0 | 0 | 0 | 111.9 | E120 L122 A128 | E120-Y124 WeakPolarHBondContact O-CB 3.01Å; E120-Y124 PolarHBondContact O-N 2.76Å; L122-Y124 PolarHBondContact O-N 3.49Å; Y124-A128 WeakPolarHBondContact O-CB 3.35Å; Y124-A128 PolarHBondContact O-N 3.42Å |
| 125 | N | 61 | Low | 61.5 | Low | 95 Ų | 95 | 104 Ų | 104 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.1 | -35.7 | 174.5 | -78.6 | -71.9 | 0 | 0 | 0 | 112.6 | A121 L122 K123 A128 T129 | A121-N125 PolarHBondContact O-N 3.38Å; A121-N125 VanDerWaalsContact O-N 3.14Å; A121-N125 PolarHBondContact O-ND2 2.91Å; L122-N125 WeakPolarHBondContact O-CB 3.26Å; L122-N125 PolarHBondContact O-N 2.88Å; L122-N125 VanDerWaalsContact O-N 3.16Å; K123-N125 VanDerWaalsContact C-N 3.3Å; K123-N125 PolarHBondContact O-N 2.87Å; N125-A128 PolarHBondContact O-N 3.29Å; N125-T129 WeakPolarHBondContact O-CB 3.04Å; N125-T129 WeakPolarHBondContact O-CG2 3.35Å; N125-T129 PolarHBondContact O-N 3.02Å; N125-T129 PolarHBondContact O-OG1 3.41Å |
| 126 | E | 58.8 | Low | 61.3 | Low | 136 Ų | 136 | 101 Ų | 101 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.1 | -44.9 | 175.9 | -167.6 | 166 | -148.8 | 0 | 0 | 111.5 | L122 K123 A128 T129 Q130 | L122-E126 PolarHBondContact O-N 3.04Å; K123-E126 PolarHBondContact O-N 3.36Å; E126-A128 VanDerWaalsContact C-N 3.35Å; E126-A128 PolarHBondContact O-N 2.96Å; E126-T129 CarbonylContact O-C 3.5Å; E126-T129 PolarHBondContact O-N 3.34Å; E126-T129 PolarHBondContact O-OG1 3.09Å; E126-Q130 WeakPolarHBondContact O-CG 3.33Å; E126-Q130 PolarHBondContact O-N 3.3Å |
| 127 | D | 56.9 | Low | 61.7 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 173.9 | -80.2 | -25.1 | 0 | 0 | 0 | 112.7 | K123 T129 Q130 | K123-D127 PolarHBondContact O-N 2.87Å; D127-T129 VanDerWaalsContact C-N 3.32Å; D127-Q130 PolarHBondContact OD1-NE2 3.37Å |
| 128 | A | 53.7 | Low | 62.2 | Low | 70 Ų | 70 | 101.2 Ų | 101.2 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74.6 | -17.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y124 N125 E126 | Y124-A128 WeakPolarHBondContact O-CB 3.35Å; Y124-A128 PolarHBondContact O-N 3.42Å; N125-A128 PolarHBondContact O-N 3.29Å; E126-A128 VanDerWaalsContact C-N 3.35Å; E126-A128 PolarHBondContact O-N 2.96Å |
| 129 | T | 52 | Low | 62.2 | Low | 108 Ų | 108 | 101.7 Ų | 101.7 | 66% | 0.663 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -108.7 | 0 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | N125 E126 D127 D131 | N125-T129 WeakPolarHBondContact O-CB 3.04Å; N125-T129 WeakPolarHBondContact O-CG2 3.35Å; N125-T129 PolarHBondContact O-N 3.02Å; N125-T129 PolarHBondContact O-OG1 3.41Å; E126-T129 CarbonylContact O-C 3.5Å; E126-T129 PolarHBondContact O-N 3.34Å; E126-T129 PolarHBondContact O-OG1 3.09Å; D127-T129 VanDerWaalsContact C-N 3.32Å; T129-D131 PolarHBondContact O-N 2.79Å |
| 130 | Q | 53.2 | Low | 62.4 | Low | 95 Ų | 95 | 96.4 Ų | 96.4 | 44% | 0.444 | 54% | 0.539 | S | S | . | . | trans | -56.8 | 110.4 | 173.6 | -92.7 | -160.7 | 58.5 | 0 | 0 | 110.8 | E126 D127 A132 S134 | E126-Q130 WeakPolarHBondContact O-CG 3.33Å; E126-Q130 PolarHBondContact O-N 3.3Å; D127-Q130 PolarHBondContact OD1-NE2 3.37Å; Q130-A132 PolarHBondContact O-N 3.42Å; Q130-S134 PolarHBondContact OE1-OG 3.27Å | ||
| 131 | D | 53.1 | Low | 62.8 | Low | 88 Ų | 88 | 95.3 Ų | 95.3 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | trans | -48.6 | 121.6 | 170.6 | 171.1 | 22.4 | 0 | 0 | 0 | 109.3 | T129 T133 S134 R141 | T129-D131 PolarHBondContact O-N 2.79Å; D131-T133 PolarHBondContact O-N 3.28Å; D131-T133 PolarHBondContact OD2-OG1 3.38Å; D131-S134 VanDerWaalsContact O-CB 3.32Å; D131-S134 WeakPolarHBondContact O-CB 3.35Å; D131-S134 PolarHBondContact O-N 3.31Å; D131-S134 PolarHBondContact O-OG 3.04Å; D131-R141 IonicContact OD2-CZ 3.96Å; D131-R141 IonicContact OD2-NH2 2.92Å; D131-R141 PolarHBondContact OD2-NH2 3.19Å | ||
| 132 | A | 57.5 | Low | 63.7 | Low | 90 Ų | 90 | 100.1 Ų | 100.1 | 74% | 0.744 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 7.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q130 | Q130-A132 PolarHBondContact O-N 3.42Š|
| 133 | T | 55.3 | Low | 64.4 | Low | 27 Ų | 27 | 99.9 Ų | 99.9 | 17% | 0.166 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -1.5 | 169.3 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | D131 T135 L136 R141 I144 | D131-T133 PolarHBondContact O-N 3.28Å; D131-T133 PolarHBondContact OD2-OG1 3.38Å; T133-T135 PolarHBondContact O-N 2.92Å; T133-L136 HydrophobicContact CG2-CD1 4.31Å; T133-L136 WeakPolarHBondContact O-CB 3.37Å; T133-L136 PolarHBondContact O-N 3.37Å; T133-R141 PolarHBondContact OG1-NE 2.95Å; T133-R141 VanDerWaalsContact OG1-NE 3.14Å; T133-I144 HydrophobicContact CG2-CD1 4.12Å |
| 134 | S | 55.4 | Low | 64.9 | Low | 53 Ų | 53 | 94.2 Ų | 94.2 | 37% | 0.371 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -41.3 | -178.1 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | Q130 D131 L136 | Q130-S134 PolarHBondContact OE1-OG 3.27Å; D131-S134 VanDerWaalsContact O-CB 3.32Å; D131-S134 WeakPolarHBondContact O-CB 3.35Å; D131-S134 PolarHBondContact O-N 3.31Å; D131-S134 PolarHBondContact O-OG 3.04Å; S134-L136 VanDerWaalsContact C-N 3.26Å; S134-L136 PolarHBondContact O-N 3.07Å |
| 135 | T | 60.8 | Low | 66.1 | Low | 120 Ų | 120 | 92.5 Ų | 92.5 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -6.7 | -179.2 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | T133 | T133-T135 PolarHBondContact O-N 2.92Š|
| 136 | L | 66.1 | Low | 67.3 | Low | 47 Ų | 47 | 95.4 Ų | 95.4 | 25% | 0.246 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -86.3 | 143.5 | -176.7 | -60.1 | 178.5 | 0 | 0 | 0 | 112.1 | T133 S134 V140 I144 F168 | T133-L136 HydrophobicContact CG2-CD1 4.31Å; T133-L136 WeakPolarHBondContact O-CB 3.37Å; T133-L136 PolarHBondContact O-N 3.37Å; S134-L136 VanDerWaalsContact C-N 3.26Å; S134-L136 PolarHBondContact O-N 3.07Å; L136-V140 HydrophobicContact CD1-CG1 4.36Å; L136-I144 HydrophobicContact CD1-CD1 3.42Å; L136-I144 VanDerWaalsContact CD1-CD1 3.42Å; L136-F168 HydrophobicContact CD1-CE2 4.25Å; L136-F168 HydrophobicContact CD1-CZ 3.93Å |
| 137 | K | 76.4 | Confident | 68.5 | Low | 148 Ų | 148 | 90.9 Ų | 90.9 | 64% | 0.643 | 50% | 0.498 | S | S | * | . | trans | -52.9 | 136.2 | 175.8 | -68.8 | 166.7 | -177 | 159.3 | 0 | 110.1 | A139 V140 R141 | K137-A139 PolarHBondContact O-N 3.03Å; K137-V140 HydrophobicContact CB-CG2 4.27Å; K137-V140 WeakPolarHBondContact O-CA 3.5Å; K137-V140 WeakPolarHBondContact O-CB 3.16Å; K137-V140 PolarHBondContact O-N 3.17Å; K137-R141 PolarHBondContact O-N 3.28Å; K137-R141 VanDerWaalsContact O-N 3.13Å | ||
| 138 | P | 76.2 | Confident | 69.9 | Low | 116 Ų | 116 | 90.9 Ų | 90.9 | 75% | 0.753 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -54.2 | -31.2 | -174.3 | -30.8 | 35.7 | 0 | 0 | 0 | 115.5 | R141 K142 | P138-R141 PolarHBondContact O-N 3.39Å; P138-K142 PolarHBondContact O-N 3.34Å; P138-K142 VanDerWaalsContact O-N 3.11Å |
| 139 | A | 73.8 | Confident | 71.5 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 66% | 0.661 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K137 K142 E143 | K137-A139 PolarHBondContact O-N 3.03Å; A139-K142 PolarHBondContact O-N 3.09Å; A139-E143 PolarHBondContact O-N 3.39Å; A139-E143 VanDerWaalsContact O-N 3.08Å |
| 140 | V | 74.6 | Confident | 73.2 | Confident | 35 Ų | 35 | 92.9 Ų | 92.9 | 21% | 0.212 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70 | -40.8 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | L136 K137 K142 E143 I144 F168 | L136-V140 HydrophobicContact CD1-CG1 4.36Å; K137-V140 HydrophobicContact CB-CG2 4.27Å; K137-V140 WeakPolarHBondContact O-CA 3.5Å; K137-V140 WeakPolarHBondContact O-CB 3.16Å; K137-V140 PolarHBondContact O-N 3.17Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.33Å; V140-E143 WeakPolarHBondContact O-CB 3.41Å; V140-E143 PolarHBondContact O-N 2.94Å; V140-I144 HydrophobicContact CG1-CD1 4.04Å; V140-I144 HydrophobicContact CG1-CG1 4.39Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.26Å; V140-I144 PolarHBondContact O-N 2.93Å; V140-F168 HydrophobicContact CG1-CE1 4.01Å; V140-F168 HydrophobicContact CG1-CZ 4.21Å |
| 141 | R | 75.5 | Confident | 74.8 | Confident | 124 Ų | 124 | 93.1 Ų | 93.1 | 47% | 0.468 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 175.4 | -161.5 | 174.7 | -167.2 | -159.9 | 1.7 | 111.9 | D131 T133 K137 P138 I144 E145 | D131-R141 IonicContact OD2-CZ 3.96Å; D131-R141 IonicContact OD2-NH2 2.92Å; D131-R141 PolarHBondContact OD2-NH2 3.19Å; T133-R141 PolarHBondContact OG1-NE 2.95Å; T133-R141 VanDerWaalsContact OG1-NE 3.14Å; K137-R141 PolarHBondContact O-N 3.28Å; K137-R141 VanDerWaalsContact O-N 3.13Å; P138-R141 PolarHBondContact O-N 3.39Å; R141-I144 PolarHBondContact O-N 3.1Å; R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.33Å |
| 142 | K | 82.8 | Confident | 76.5 | Confident | 153 Ų | 153 | 90 Ų | 90 | 67% | 0.665 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.1 | -31.4 | 174.6 | -171.7 | 169.3 | -175.1 | 169.1 | 0 | 113.6 | P138 A139 V140 K146 | P138-K142 PolarHBondContact O-N 3.34Å; P138-K142 VanDerWaalsContact O-N 3.11Å; A139-K142 PolarHBondContact O-N 3.09Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.33Å; K142-K146 WeakPolarHBondContact O-CB 3.36Å; K142-K146 PolarHBondContact O-N 2.59Å; K142-K146 VanDerWaalsContact O-N 3.15Å |
| 143 | E | 81.3 | Confident | 78 | Confident | 108 Ų | 108 | 92.8 Ų | 92.8 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 172.6 | -172.5 | 169.8 | -166.9 | 0 | 0 | 111.5 | A139 V140 K146 L147 | A139-E143 PolarHBondContact O-N 3.39Å; A139-E143 VanDerWaalsContact O-N 3.08Å; V140-E143 WeakPolarHBondContact O-CB 3.41Å; V140-E143 PolarHBondContact O-N 2.94Å; E143-K146 PolarHBondContact O-N 3.32Å; E143-L147 HydrophobicContact CG-CD1 4.11Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.35Å; E143-L147 PolarHBondContact O-N 3.27Å |
| 144 | I | 80.5 | Confident | 79.4 | Confident | 17 Ų | 17 | 97.6 Ų | 97.6 | 9% | 0.087 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 173.4 | -64.5 | 165.3 | 0 | 0 | 0 | 111.1 | T133 L136 V140 R141 K146 L147 K148 V166 F168 | T133-I144 HydrophobicContact CG2-CD1 4.12Å; L136-I144 HydrophobicContact CD1-CD1 3.42Å; L136-I144 VanDerWaalsContact CD1-CD1 3.42Å; V140-I144 HydrophobicContact CG1-CD1 4.04Å; V140-I144 HydrophobicContact CG1-CG1 4.39Å; V140-I144 VanDerWaalsContact O-CG1 3.32Å; V140-I144 WeakPolarHBondContact O-CG1 3.26Å; V140-I144 PolarHBondContact O-N 2.93Å; R141-I144 PolarHBondContact O-N 3.1Å; I144-K146 PolarHBondContact O-N 3.41Å; I144-L147 CarbonylContact O-C 3.49Å; I144-L147 PolarHBondContact O-N 3.18Å; I144-K148 WeakPolarHBondContact O-CB 3.37Å; I144-K148 PolarHBondContact O-N 3.4Å; I144-V166 HydrophobicContact CG1-CG2 4.27Å; I144-V166 HydrophobicContact CG2-CG2 4.11Å; I144-F168 HydrophobicContact CD1-CZ 4.12Å |
| 145 | E | 83.6 | Confident | 81.1 | Confident | 136 Ų | 136 | 98 Ų | 98 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -46.4 | 176.9 | -175.7 | 178.5 | -152.2 | 0 | 0 | 111.6 | R141 L147 K148 E149 | R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.33Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3Å; E145-K148 WeakPolarHBondContact O-CB 3.42Å; E145-K148 PolarHBondContact O-N 2.62Å; E145-E149 PolarHBondContact O-N 2.95Å |
| 146 | K | 86.4 | Confident | 82.6 | Confident | 156 Ų | 156 | 93.3 Ų | 93.3 | 68% | 0.678 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | 174.4 | -174.8 | -176.6 | 178.3 | -173.4 | 0 | 112.5 | K142 E143 I144 A150 | K142-K146 WeakPolarHBondContact O-CB 3.36Å; K142-K146 PolarHBondContact O-N 2.59Å; K142-K146 VanDerWaalsContact O-N 3.15Å; E143-K146 PolarHBondContact O-N 3.32Å; I144-K146 PolarHBondContact O-N 3.41Å; K146-A150 VanDerWaalsContact O-CB 3.26Å; K146-A150 WeakPolarHBondContact O-CB 3.36Å; K146-A150 PolarHBondContact O-N 3.07Å |
| 147 | L | 84.3 | Confident | 83.7 | Confident | 41 Ų | 41 | 94.5 Ų | 94.5 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 174.2 | -74.9 | 165.6 | 0 | 0 | 0 | 111.5 | E143 I144 E145 A150 K151 V173 V176 | E143-L147 HydrophobicContact CG-CD1 4.11Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.35Å; E143-L147 PolarHBondContact O-N 3.27Å; I144-L147 CarbonylContact O-C 3.49Å; I144-L147 PolarHBondContact O-N 3.18Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3Å; L147-A150 PolarHBondContact O-N 3.42Å; L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 VanDerWaalsContact O-CG 3.24Å; L147-K151 WeakPolarHBondContact O-CG 3.27Å; L147-K151 PolarHBondContact O-N 3.03Å; L147-V173 HydrophobicContact CD1-CG1 4.32Å; L147-V176 HydrophobicContact CB-CG1 4.37Å; L147-V176 HydrophobicContact CD1-CG2 4.07Å; L147-V176 HydrophobicContact CD2-CG2 4.41Å |
| 148 | K | 86.1 | Confident | 84.3 | Confident | 97 Ų | 97 | 92.1 Ų | 92.1 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -52.1 | 174.1 | -175.8 | 174.8 | -179.2 | 173.9 | 0 | 110.5 | I144 E145 A150 K151 C152 C162 V164 | I144-K148 WeakPolarHBondContact O-CB 3.37Å; I144-K148 PolarHBondContact O-N 3.4Å; E145-K148 WeakPolarHBondContact O-CB 3.42Å; E145-K148 PolarHBondContact O-N 2.62Å; K148-A150 PolarHBondContact O-N 3.31Å; K148-K151 PolarHBondContact O-N 2.87Å; K148-C152 WeakPolarHBondContact O-CB 3.5Å; K148-C152 PolarHBondContact O-N 3Å; K148-C162 WeakPolarHBondContact CE-O 3.39Å; K148-V164 HydrophobicContact CB-CG2 4.27Å; K148-V164 HydrophobicContact CG-CG2 4.16Å |
| 149 | E | 87.4 | Confident | 84.8 | Confident | 141 Ų | 141 | 94.3 Ų | 94.3 | 66% | 0.659 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.3 | -49.5 | 175 | -167.1 | -170.7 | 178.7 | 0 | 0 | 111.3 | E145 K151 K153 | E145-E149 PolarHBondContact O-N 2.95Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.46Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 2.75Å |
| 150 | A | 87.4 | Confident | 85.5 | Confident | 78 Ų | 78 | 91.1 Ų | 91.1 | 65% | 0.645 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.6 | -20 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K146 L147 K148 | K146-A150 VanDerWaalsContact O-CB 3.26Å; K146-A150 WeakPolarHBondContact O-CB 3.36Å; K146-A150 PolarHBondContact O-N 3.07Å; L147-A150 PolarHBondContact O-N 3.42Å; K148-A150 PolarHBondContact O-N 3.31Å |
| 151 | K | 87.2 | Confident | 86.2 | Confident | 101 Ų | 101 | 93 Ų | 93 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -106.7 | -27.2 | -179.7 | -67.3 | -66.4 | -172.7 | 177.4 | 0 | 114.2 | L147 K148 E149 Y155 V164 V176 P178 | L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 VanDerWaalsContact O-CG 3.24Å; L147-K151 WeakPolarHBondContact O-CG 3.27Å; L147-K151 PolarHBondContact O-N 3.03Å; K148-K151 PolarHBondContact O-N 2.87Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.46Å; K151-Y155 VanDerWaalsContact O-CB 3.26Å; K151-Y155 WeakPolarHBondContact O-CB 3.25Å; K151-V164 HydrophobicContact CB-CG2 4.45Å; K151-V176 HydrophobicContact CG-CG1 4.04Å; K151-P178 HydrophobicContact CB-CB 4.35Å; K151-P178 HydrophobicContact CB-CG 4.48Å |
| 152 | C | 88.5 | Confident | 86.9 | Confident | 21 Ų | 21 | 88.1 Ų | 88.1 | 14% | 0.142 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -88 | -26.4 | 178.1 | -76.6 | 0 | 0 | 0 | 0 | 113.7 | K148 D154 Y155 C162 V164 | K148-C152 WeakPolarHBondContact O-CB 3.5Å; K148-C152 PolarHBondContact O-N 3Å; C152-D154 PolarHBondContact O-N 2.85Å; C152-D154 VanDerWaalsContact O-N 3.13Å; C152-Y155 PolarHBondContact O-N 3.16Å; C152-C162 WeakPolarHBondContact CA-SG 3.43Å; C152-C162 HydrophobicContact CB-CB 3.46Å; C152-C162 VanDerWaalsContact CB-CB 3.46Å; C152-C162 WeakPolarHBondContact CB-SG 3.32Å; C152-C162 WeakPolarHBondContact SG-CB 3.29Å; C152-C162 CovalentContact SG-SG 2.03Å; C152-C162 PolarHBondContact SG-SG 2.98Å; C152-V164 VanDerWaalsContact SG-CG2 3.52Å |
| 153 | K | 88.4 | Confident | 87.2 | Confident | 150 Ų | 150 | 86.4 Ų | 86.4 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 120.7 | 178.8 | 178.2 | 166.5 | -175.7 | 171 | 0 | 110.8 | E149 Y155 | E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 PolarHBondContact O-N 2.75Å; K153-Y155 PolarHBondContact O-N 3.39Å |
| 154 | D | 85.6 | Confident | 87.5 | Confident | 127 Ų | 127 | 82.6 Ų | 82.6 | 68% | 0.679 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 12.6 | -178.1 | -48.6 | -46.8 | 0 | 0 | 0 | 114.9 | C152 R190 | C152-D154 PolarHBondContact O-N 2.85Å; C152-D154 VanDerWaalsContact O-N 3.13Å; D154-R190 PolarHBondContact O-NH2 2.86Å |
| 155 | Y | 90 | Very high | 87.7 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 25% | 0.247 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -52.1 | -179.7 | -174.9 | -104.2 | 0 | 0 | 0 | 111.9 | K151 C152 K153 P178 C180 R190 | K151-Y155 VanDerWaalsContact O-CB 3.26Å; K151-Y155 WeakPolarHBondContact O-CB 3.25Å; C152-Y155 PolarHBondContact O-N 3.16Å; K153-Y155 PolarHBondContact O-N 3.39Å; Y155-P178 HydrophobicContact CD1-CB 3.74Å; Y155-P178 HydrophobicContact CD1-CG 3.95Å; Y155-P178 HydrophobicContact CD2-CG 4.3Å; Y155-P178 HydrophobicContact CE1-CB 3.82Å; Y155-P178 HydrophobicContact CE1-CG 3.73Å; Y155-P178 HydrophobicContact CE2-CG 4.08Å; Y155-P178 HydrophobicContact CG-CB 4.29Å; Y155-P178 HydrophobicContact CG-CG 4.24Å; Y155-C180 WeakPolarHBondContact CD1-SG 3.48Å; Y155-C180 VanDerWaalsContact CE1-SG 3.58Å; Y155-R190 HydrophobicContact CD2-CG 4.47Å; Y155-R190 HydrophobicContact CE1-CG 4.15Å; Y155-R190 HydrophobicContact CE2-CG 3.98Å; Y155-R190 PolarHBondContact O-NE 3.13Å; Y155-R190 PolarHBondContact O-NH2 3.29Å |
| 156 | C | 91.9 | Very high | 87.7 | Confident | 21 Ų | 21 | 82 Ų | 82 | 14% | 0.142 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -87.3 | 134.3 | 177.8 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | A160 C162 C180 | C156-A160 HydrophobicContact CB-CB 4.02Å; C156-C162 HydrophobicContact CB-CB 4.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 VanDerWaalsContact SG-SG 3.68Å; C156-C180 WeakPolarHBondContact CA-SG 3.3Å; C156-C180 HydrophobicContact CB-CB 3.84Å; C156-C180 WeakPolarHBondContact CB-SG 3.47Å; C156-C180 VanDerWaalsContact SG-CA 3.5Å; C156-C180 WeakPolarHBondContact SG-CB 3.44Å; C156-C180 CovalentContact SG-SG 2.03Å; C156-C180 PolarHBondContact SG-SG 2.94Å |
| 157 | H | 90.8 | Very high | 87.6 | Confident | 72 Ų | 72 | 78.6 Ų | 78.6 | 33% | 0.333 | 40% | 0.402 | S | S | . | . | trans | -94.7 | 172.8 | 177.9 | -63.2 | -60 | 0 | 0 | 0 | 112 | N159 A160 R190 | H157-N159 VanDerWaalsContact C-N 3.28Å; H157-N159 PolarHBondContact O-N 3.5Å; H157-N159 VanDerWaalsContact O-N 3.13Å; H157-A160 VanDerWaalsContact O-CB 3.26Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.42Å; H157-R190 WeakPolarHBondContact CB-O 3.48Å; H157-R190 PolarHBondContact CE1-NH2 3.2Å; H157-R190 PolarHBondContact N-O 3.29Å; H157-R190 VanDerWaalsContact NE2-CZ 3.31Å; H157-R190 PolarHBondContact NE2-NH2 3.13Å | ||
| 158 | H | 87.9 | Confident | 87.3 | Confident | 97 Ų | 97 | 80.4 Ų | 80.4 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.6 | 171.2 | -57.7 | -76.1 | 0 | 0 | 0 | 115.7 | A160 W186 C191 | H158-A160 PolarHBondContact O-N 2.99Å; H158-W186 HydrophobicContact CB-CD2 4.08Å; H158-W186 HydrophobicContact CB-CE3 4.4Å; H158-W186 HydrophobicContact CB-CG 4.41Å; H158-W186 AromaticContact CD2-CE3 3.54Å; H158-W186 AromaticContact CD2-CH2 3.88Å; H158-W186 AromaticContact CD2-CZ3 3.42Å; H158-W186 VanDerWaalsContact CD2-CZ3 3.42Å; H158-W186 WeakPolarHBondContact CD2-CZ3 3.49Å; H158-W186 AromaticContact CE1-CH2 3.35Å; H158-W186 WeakPolarHBondContact CE1-CH2 3.41Å; H158-W186 AromaticContact CE1-CZ2 3.92Å; H158-W186 AromaticContact CE1-CZ3 3.64Å; H158-W186 AromaticContact CG-CD2 3.89Å; H158-W186 AromaticContact CG-CE2 3.92Å; H158-W186 AromaticContact CG-CE3 3.8Å; H158-W186 AromaticContact CG-CH2 3.86Å; H158-W186 AromaticContact CG-CZ2 3.92Å; H158-W186 AromaticContact CG-CZ3 3.79Å; H158-W186 AromaticContact ND1-CH2 3.52Å; H158-W186 AromaticContact ND1-CZ2 3.6Å; H158-W186 AromaticContact ND1-CZ3 3.9Å; H158-W186 AromaticContact NE2-CH2 3.62Å; H158-W186 AromaticContact NE2-CZ3 3.37Å; H158-W186 WeakPolarHBondContact NE2-CZ3 3.5Å; H158-C191 PolarHBondContact CD2-O 2.95Å; H158-C191 VanDerWaalsContact CD2-O 3.31Å |
| 159 | N | 86.2 | Confident | 87 | Confident | 163 Ų | 163 | 84.6 Ų | 84.6 | 87% | 0.872 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 24.1 | -179 | -159.7 | 52.9 | 0 | 0 | 0 | 114.5 | H157 | H157-N159 VanDerWaalsContact C-N 3.28Å; H157-N159 PolarHBondContact O-N 3.5Å; H157-N159 VanDerWaalsContact O-N 3.13Å |
| 160 | A | 88.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 86.3 Ų | 86.3 | 11% | 0.107 | 43% | 0.429 | C | S | . | . | trans | -66.4 | 142.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C156 H157 H158 H181 C191 | C156-A160 HydrophobicContact CB-CB 4.02Å; H157-A160 VanDerWaalsContact O-CB 3.26Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.42Å; H158-A160 PolarHBondContact O-N 2.99Å; A160-H181 WeakPolarHBondContact CA-O 3.37Å; A160-H181 WeakPolarHBondContact CB-O 3.49Å; A160-C191 HydrophobicContact CB-CB 3.95Å; A160-C191 WeakPolarHBondContact CB-SG 3.42Å | ||
| 161 | T | 90.3 | Very high | 85.3 | Confident | 73 Ų | 73 | 89.6 Ų | 89.6 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.1 | 179.5 | 68 | 0 | 0 | 0 | 0 | 110.7 | H163 H181 | T161-H163 VanDerWaalsContact CB-NE2 3.33Å; T161-H163 WeakPolarHBondContact CB-NE2 3.39Å; T161-H163 PolarHBondContact OG1-NE2 3.37Å; T161-H181 PolarHBondContact N-O 3.02Å; T161-H181 PolarHBondContact O-N 2.99Å |
| 162 | C | 89.7 | Confident | 84.5 | Confident | 22 Ų | 22 | 93.8 Ų | 93.8 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | K148 C152 C156 | K148-C162 WeakPolarHBondContact CE-O 3.39Å; C152-C162 WeakPolarHBondContact CA-SG 3.43Å; C152-C162 HydrophobicContact CB-CB 3.46Å; C152-C162 VanDerWaalsContact CB-CB 3.46Å; C152-C162 WeakPolarHBondContact CB-SG 3.32Å; C152-C162 WeakPolarHBondContact SG-CB 3.29Å; C152-C162 CovalentContact SG-SG 2.03Å; C152-C162 PolarHBondContact SG-SG 2.98Å; C156-C162 HydrophobicContact CB-CB 4.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 VanDerWaalsContact SG-SG 3.68Å |
| 163 | H | 88.6 | Confident | 83.7 | Confident | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.546 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 159.5 | 174 | -59.2 | -81.5 | 0 | 0 | 0 | 108.9 | T161 P178 S179 | T161-H163 VanDerWaalsContact CB-NE2 3.33Å; T161-H163 WeakPolarHBondContact CB-NE2 3.39Å; T161-H163 PolarHBondContact OG1-NE2 3.37Å; H163-P178 WeakPolarHBondContact O-CA 3.31Å; H163-S179 PolarHBondContact N-O 3.36Å; H163-S179 PolarHBondContact O-N 3.34Å |
| 164 | V | 88.7 | Confident | 83.2 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 16% | 0.164 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 115.7 | 180 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | K148 K151 C152 V166 V176 V177 P178 | K148-V164 HydrophobicContact CB-CG2 4.27Å; K148-V164 HydrophobicContact CG-CG2 4.16Å; K151-V164 HydrophobicContact CB-CG2 4.45Å; C152-V164 VanDerWaalsContact SG-CG2 3.52Å; V164-V166 HydrophobicContact CG1-CG2 4.01Å; V164-V176 HydrophobicContact CG1-CG1 3.31Å; V164-V177 WeakPolarHBondContact CA-O 3.37Å; V164-P178 HydrophobicContact CG2-CB 4.34Å |
| 165 | E | 85.1 | Confident | 82.9 | Confident | 114 Ų | 114 | 86.7 Ų | 86.7 | 53% | 0.533 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.6 | 172.9 | -69.2 | 167 | -144.9 | 0 | 0 | 108.8 | V177 | E165-V177 HydrophobicContact CB-CB 4.47Å; E165-V177 PolarHBondContact N-O 2.78Å; E165-V177 PolarHBondContact O-N 3Å |
| 166 | V | 83.6 | Confident | 82.7 | Confident | 27 Ų | 27 | 85.1 Ų | 85.1 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.8 | -176 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | I144 V164 F168 V173 | I144-V166 HydrophobicContact CG1-CG2 4.27Å; I144-V166 HydrophobicContact CG2-CG2 4.11Å; V164-V166 HydrophobicContact CG1-CG2 4.01Å; V166-F168 HydrophobicContact CB-CE2 4.08Å; V166-F168 HydrophobicContact CB-CZ 4.28Å; V166-F168 HydrophobicContact CG1-CD2 4.38Å; V166-F168 HydrophobicContact CG1-CE1 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.75Å; V166-F168 HydrophobicContact CG1-CZ 3.58Å; V166-F168 WeakPolarHBondContact O-CD2 3.42Å; V166-V173 HydrophobicContact CG1-CB 4.35Å; V166-V173 HydrophobicContact CG1-CG1 3.88Å; V166-V173 HydrophobicContact CG1-CG2 3.79Å |
| 167 | I | 82.6 | Confident | 82.5 | Confident | 85 Ų | 85 | 87.3 Ų | 87.3 | 44% | 0.436 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 111 | -177.1 | -55.6 | 178.4 | 0 | 0 | 0 | 108.3 | S174 A175 | I167-S174 WeakPolarHBondContact O-CA 3.47Å; I167-S174 WeakPolarHBondContact O-CB 3.25Å; I167-S174 PolarHBondContact O-N 3.49Å; I167-S174 PolarHBondContact O-OG 3.48Å; I167-A175 HydrophobicContact CB-CB 4.23Å; I167-A175 HydrophobicContact CD1-CB 4.33Å; I167-A175 PolarHBondContact N-O 3.38Å; I167-A175 PolarHBondContact O-N 3.26Å |
| 168 | F | 79.9 | Confident | 82.4 | Confident | 79 Ų | 79 | 85 Ų | 85 | 35% | 0.346 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 147.6 | 176.8 | -63.3 | -86.3 | 0 | 0 | 0 | 112.2 | L136 V140 I144 V166 R172 V173 | L136-F168 HydrophobicContact CD1-CE2 4.25Å; L136-F168 HydrophobicContact CD1-CZ 3.93Å; V140-F168 HydrophobicContact CG1-CE1 4.01Å; V140-F168 HydrophobicContact CG1-CZ 4.21Å; I144-F168 HydrophobicContact CD1-CZ 4.12Å; V166-F168 HydrophobicContact CB-CE2 4.08Å; V166-F168 HydrophobicContact CB-CZ 4.28Å; V166-F168 HydrophobicContact CG1-CD2 4.38Å; V166-F168 HydrophobicContact CG1-CE1 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.75Å; V166-F168 HydrophobicContact CG1-CZ 3.58Å; V166-F168 WeakPolarHBondContact O-CD2 3.42Å; F168-R172 CarbonylContact C-O 3.54Å; F168-R172 VanDerWaalsContact CA-O 3.3Å; F168-R172 WeakPolarHBondContact CA-O 3.46Å; F168-V173 HydrophobicContact CD1-CG2 4.3Å; F168-V173 HydrophobicContact CE1-CG2 3.76Å; F168-V173 HydrophobicContact CZ-CG2 4.44Å |
| 169 | R | 79.3 | Confident | 82.6 | Confident | 184 Ų | 184 | 82.7 Ų | 82.7 | 69% | 0.694 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 132.7 | 161.4 | -69.8 | -178.7 | 178.7 | -169.4 | -1.2 | 107.9 | D171 R172 | R169-D171 VanDerWaalsContact C-N 3.34Å; R169-D171 PolarHBondContact O-N 3.46Å; R169-R172 PolarHBondContact N-O 3.28Å; R169-R172 PolarHBondContact O-N 3.18Å; R169-R172 VanDerWaalsContact O-O 3.13Å |
| 170 | E | 71.9 | Confident | 82.9 | Confident | 178 Ų | 178 | 75.9 Ų | 75.9 | 83% | 0.832 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 50.1 | 175.1 | -59.7 | 168.1 | -157.2 | 0 | 0 | 112.6 | R172 | E170-R172 WeakPolarHBondContact O-CG 3.29Å; E170-R172 PolarHBondContact O-N 3.27Å; E170-R172 VanDerWaalsContact O-N 3.07Å |
| 171 | D | 66.2 | Low | 83 | Confident | 147 Ų | 147 | 81.6 Ų | 81.6 | 79% | 0.786 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 14.7 | -175 | -70.7 | 1.2 | 0 | 0 | 0 | 116.1 | R169 | R169-D171 VanDerWaalsContact C-N 3.34Å; R169-D171 PolarHBondContact O-N 3.46Å |
| 172 | R | 70.1 | Confident | 83.1 | Confident | 189 Ų | 189 | 79.6 Ų | 79.6 | 71% | 0.713 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.8 | -179.9 | -62.4 | 172.4 | -164.8 | -161.7 | 3.2 | 111.6 | F168 R169 E170 S174 | F168-R172 CarbonylContact C-O 3.54Å; F168-R172 VanDerWaalsContact CA-O 3.3Å; F168-R172 WeakPolarHBondContact CA-O 3.46Å; R169-R172 PolarHBondContact N-O 3.28Å; R169-R172 PolarHBondContact O-N 3.18Å; R169-R172 VanDerWaalsContact O-O 3.13Å; E170-R172 WeakPolarHBondContact O-CG 3.29Å; E170-R172 PolarHBondContact O-N 3.27Å; E170-R172 VanDerWaalsContact O-N 3.07Å; R172-S174 PolarHBondContact O-N 2.9Å; R172-S174 VanDerWaalsContact O-N 3.16Å |
| 173 | V | 73.1 | Confident | 83.1 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 112.8 | 169.9 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | L147 V166 F168 V176 | L147-V173 HydrophobicContact CD1-CG1 4.32Å; V166-V173 HydrophobicContact CG1-CB 4.35Å; V166-V173 HydrophobicContact CG1-CG1 3.88Å; V166-V173 HydrophobicContact CG1-CG2 3.79Å; F168-V173 HydrophobicContact CD1-CG2 4.3Å; F168-V173 HydrophobicContact CE1-CG2 3.76Å; F168-V173 HydrophobicContact CZ-CG2 4.44Å; V173-V176 HydrophobicContact CG1-CG2 3.36Å |
| 174 | S | 77.1 | Confident | 83 | Confident | 59 Ų | 59 | 84.7 Ų | 84.7 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -32.3 | -176.5 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | I167 R172 | I167-S174 WeakPolarHBondContact O-CA 3.47Å; I167-S174 WeakPolarHBondContact O-CB 3.25Å; I167-S174 PolarHBondContact O-N 3.49Å; I167-S174 PolarHBondContact O-OG 3.48Å; R172-S174 PolarHBondContact O-N 2.9Å; R172-S174 VanDerWaalsContact O-N 3.16Å |
| 175 | A | 79.8 | Confident | 82.8 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 35% | 0.347 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 154.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I167 | I167-A175 HydrophobicContact CB-CB 4.23Å; I167-A175 HydrophobicContact CD1-CB 4.33Å; I167-A175 PolarHBondContact N-O 3.38Å; I167-A175 PolarHBondContact O-N 3.26Å |
| 176 | V | 84.9 | Confident | 83.1 | Confident | 31 Ų | 31 | 82.9 Ų | 82.9 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 108.9 | -176.6 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | L147 K151 V164 V173 | L147-V176 HydrophobicContact CB-CG1 4.37Å; L147-V176 HydrophobicContact CD1-CG2 4.07Å; L147-V176 HydrophobicContact CD2-CG2 4.41Å; K151-V176 HydrophobicContact CG-CG1 4.04Å; V164-V176 HydrophobicContact CG1-CG1 3.31Å; V173-V176 HydrophobicContact CG1-CG2 3.36Å |
| 177 | V | 87.8 | Confident | 83.3 | Confident | 66 Ų | 66 | 86.7 Ų | 86.7 | 40% | 0.4 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 110.3 | -172.9 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | V164 E165 | V164-V177 WeakPolarHBondContact CA-O 3.37Å; E165-V177 HydrophobicContact CB-CB 4.47Å; E165-V177 PolarHBondContact N-O 2.78Å; E165-V177 PolarHBondContact O-N 3Å |
| 178 | P | 89.4 | Confident | 83.5 | Confident | 23 Ų | 23 | 83.8 Ų | 83.8 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.2 | 171.3 | 31 | -32.8 | 0 | 0 | 0 | 110.4 | K151 Y155 H163 V164 | K151-P178 HydrophobicContact CB-CB 4.35Å; K151-P178 HydrophobicContact CB-CG 4.48Å; Y155-P178 HydrophobicContact CD1-CB 3.74Å; Y155-P178 HydrophobicContact CD1-CG 3.95Å; Y155-P178 HydrophobicContact CD2-CG 4.3Å; Y155-P178 HydrophobicContact CE1-CB 3.82Å; Y155-P178 HydrophobicContact CE1-CG 3.73Å; Y155-P178 HydrophobicContact CE2-CG 4.08Å; Y155-P178 HydrophobicContact CG-CB 4.29Å; Y155-P178 HydrophobicContact CG-CG 4.24Å; H163-P178 WeakPolarHBondContact O-CA 3.31Å; V164-P178 HydrophobicContact CG2-CB 4.34Å |
| 179 | S | 91 | Very high | 84 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.6 | -178.3 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | H163 | H163-S179 PolarHBondContact N-O 3.36Å; H163-S179 PolarHBondContact O-N 3.34Å |
| 180 | C | 92.4 | Very high | 84.5 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.128 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.2 | -176.5 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | Y155 C156 T189 | Y155-C180 WeakPolarHBondContact CD1-SG 3.48Å; Y155-C180 VanDerWaalsContact CE1-SG 3.58Å; C156-C180 WeakPolarHBondContact CA-SG 3.3Å; C156-C180 HydrophobicContact CB-CB 3.84Å; C156-C180 WeakPolarHBondContact CB-SG 3.47Å; C156-C180 VanDerWaalsContact SG-CA 3.5Å; C156-C180 WeakPolarHBondContact SG-CB 3.44Å; C156-C180 CovalentContact SG-SG 2.03Å; C156-C180 PolarHBondContact SG-SG 2.94Å; C180-T189 PolarHBondContact SG-O 3.45Å |
| 181 | H | 91.9 | Very high | 85.5 | Confident | 133 Ų | 133 | 72.3 Ų | 72.3 | 62% | 0.616 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 105.1 | 169.9 | -167.1 | 85.3 | 0 | 0 | 0 | 109.6 | A160 T161 | A160-H181 WeakPolarHBondContact CA-O 3.37Å; A160-H181 WeakPolarHBondContact CB-O 3.49Å; T161-H181 PolarHBondContact N-O 3.02Å; T161-H181 PolarHBondContact O-N 2.99Å |
| 182 | C | 91.8 | Very high | 86.7 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 143.2 | -171.6 | -54.3 | 0 | 0 | 0 | 0 | 113 | W186 C191 | C182-W186 HydrophobicContact CB-CB 4.24Å; C182-W186 WeakPolarHBondContact CB-O 3.28Å; C182-C191 WeakPolarHBondContact CA-SG 3.37Å; C182-C191 HydrophobicContact CB-CB 3.75Å; C182-C191 WeakPolarHBondContact CB-SG 3.45Å; C182-C191 WeakPolarHBondContact SG-CA 3.45Å; C182-C191 WeakPolarHBondContact SG-CB 3.46Å; C182-C191 CovalentContact SG-SG 2.03Å; C182-C191 PolarHBondContact SG-SG 3.34Å |
| 183 | P | 89.9 | Confident | 87.5 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 161.6 | 168.8 | 30.9 | -35.9 | 0 | 0 | 0 | 111.1 | G185 W186 | P183-G185 PolarHBondContact O-N 2.88Å; P183-W186 HydrophobicContact CG-CB 4.25Å; P183-W186 HydrophobicContact CG-CG 4.2Å; P183-W186 PolarHBondContact O-N 3.38Å; P183-W186 VanDerWaalsContact O-N 3.07Å |
| 184 | Q | 86.1 | Confident | 88.1 | Confident | 198 Ų | 198 | 70.2 Ų | 70.2 | 93% | 0.925 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137.1 | 176.2 | -64.7 | -177.9 | -0.2 | 0 | 0 | 111.2 | ||
| 185 | G | 85.8 | Confident | 88 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 28% | 0.278 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 7.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P183 H194 Y195 | P183-G185 PolarHBondContact O-N 2.88Å; G185-H194 CarbonylContact O-C 3.44Å; G185-H194 VanDerWaalsContact O-CA 3.3Å; G185-H194 WeakPolarHBondContact O-CA 3.4Å; G185-H194 PolarHBondContact O-CD2 3.16Å; G185-Y195 PolarHBondContact O-N 3.36Å |
| 186 | W | 90.1 | Very high | 87.6 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 28% | 0.284 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.3 | 175.5 | -64.1 | 83.4 | 0 | 0 | 0 | 113.2 | H158 C182 P183 C191 R193 H194 | H158-W186 HydrophobicContact CB-CD2 4.08Å; H158-W186 HydrophobicContact CB-CE3 4.4Å; H158-W186 HydrophobicContact CB-CG 4.41Å; H158-W186 AromaticContact CD2-CE3 3.54Å; H158-W186 AromaticContact CD2-CH2 3.88Å; H158-W186 AromaticContact CD2-CZ3 3.42Å; H158-W186 VanDerWaalsContact CD2-CZ3 3.42Å; H158-W186 WeakPolarHBondContact CD2-CZ3 3.49Å; H158-W186 AromaticContact CE1-CH2 3.35Å; H158-W186 WeakPolarHBondContact CE1-CH2 3.41Å; H158-W186 AromaticContact CE1-CZ2 3.92Å; H158-W186 AromaticContact CE1-CZ3 3.64Å; H158-W186 AromaticContact CG-CD2 3.89Å; H158-W186 AromaticContact CG-CE2 3.92Å; H158-W186 AromaticContact CG-CE3 3.8Å; H158-W186 AromaticContact CG-CH2 3.86Å; H158-W186 AromaticContact CG-CZ2 3.92Å; H158-W186 AromaticContact CG-CZ3 3.79Å; H158-W186 AromaticContact ND1-CH2 3.52Å; H158-W186 AromaticContact ND1-CZ2 3.6Å; H158-W186 AromaticContact ND1-CZ3 3.9Å; H158-W186 AromaticContact NE2-CH2 3.62Å; H158-W186 AromaticContact NE2-CZ3 3.37Å; H158-W186 WeakPolarHBondContact NE2-CZ3 3.5Å; C182-W186 HydrophobicContact CB-CB 4.24Å; C182-W186 WeakPolarHBondContact CB-O 3.28Å; P183-W186 HydrophobicContact CG-CB 4.25Å; P183-W186 HydrophobicContact CG-CG 4.2Å; P183-W186 PolarHBondContact O-N 3.38Å; P183-W186 VanDerWaalsContact O-N 3.07Å; W186-C191 HydrophobicContact CB-CB 4.37Å; W186-R193 CarbonylContact C-O 3.57Å; W186-R193 VanDerWaalsContact CA-O 3.28Å; W186-R193 WeakPolarHBondContact CA-O 3.42Å; W186-R193 VanDerWaalsContact CE3-C 3.41Å; W186-H194 AromaticContact CE2-CD2 3.91Å; W186-H194 HydrophobicContact CE3-CB 4.35Å; W186-H194 HydrophobicContact CH2-CB 4.18Å; W186-H194 HydrophobicContact CZ2-CB 4.44Å; W186-H194 AromaticContact CZ2-CD2 3.85Å; W186-H194 HydrophobicContact CZ3-CB 4.14Å |
| 187 | E | 88.4 | Confident | 86.3 | Confident | 107 Ų | 107 | 79.5 Ų | 79.5 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 167.9 | -173.8 | -152.9 | -158.1 | 147.4 | 0 | 0 | 110.6 | C191 D192 R193 Y195 | E187-C191 CarbonylContact O-C 3.35Å; E187-C191 WeakPolarHBondContact O-CA 3.2Å; E187-D192 PolarHBondContact O-N 3.2Å; E187-R193 PolarHBondContact N-O 3.35Å; E187-R193 PolarHBondContact O-N 2.71Å; E187-Y195 HydrophobicContact CB-CD2 4.46Å; E187-Y195 HydrophobicContact CG-CD2 4.5Å; E187-Y195 WeakPolarHBondContact OE2-CD2 3.41Å |
| 188 | G | 87.3 | Confident | 84.7 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 26% | 0.258 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 100.2 | 159.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R190 C191 | G188-R190 PolarHBondContact O-N 3.1Å; G188-C191 PolarHBondContact O-N 3.37Å |
| 189 | T | 88.7 | Confident | 83.1 | Confident | 113 Ų | 113 | 87.4 Ų | 87.4 | 69% | 0.693 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.5 | -174.4 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | C180 | C180-T189 PolarHBondContact SG-O 3.45Š|
| 190 | R | 91.8 | Very high | 81.1 | Confident | 87 Ų | 87 | 94 Ų | 94 | 33% | 0.328 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 11.4 | 174.5 | -60.6 | -176.3 | 66.9 | -163.3 | -1.6 | 112.7 | D154 Y155 H157 G188 D192 | D154-R190 PolarHBondContact O-NH2 2.86Å; Y155-R190 HydrophobicContact CD2-CG 4.47Å; Y155-R190 HydrophobicContact CE1-CG 4.15Å; Y155-R190 HydrophobicContact CE2-CG 3.98Å; Y155-R190 PolarHBondContact O-NE 3.13Å; Y155-R190 PolarHBondContact O-NH2 3.29Å; H157-R190 WeakPolarHBondContact CB-O 3.48Å; H157-R190 PolarHBondContact CE1-NH2 3.2Å; H157-R190 PolarHBondContact N-O 3.29Å; H157-R190 VanDerWaalsContact NE2-CZ 3.31Å; H157-R190 PolarHBondContact NE2-NH2 3.13Å; G188-R190 PolarHBondContact O-N 3.1Å; R190-D192 PolarHBondContact O-N 3.05Å |
| 191 | C | 91.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 97.1 Ų | 97.1 | 0% | 0 | 49% | 0.491 | C | S | . | . | S | Bend | trans | 57.1 | 34.3 | -170.4 | -46.2 | 0 | 0 | 0 | 0 | 112.8 | H158 A160 C182 W186 E187 G188 R193 | H158-C191 PolarHBondContact CD2-O 2.95Å; H158-C191 VanDerWaalsContact CD2-O 3.31Å; A160-C191 HydrophobicContact CB-CB 3.95Å; A160-C191 WeakPolarHBondContact CB-SG 3.42Å; C182-C191 WeakPolarHBondContact CA-SG 3.37Å; C182-C191 HydrophobicContact CB-CB 3.75Å; C182-C191 WeakPolarHBondContact CB-SG 3.45Å; C182-C191 WeakPolarHBondContact SG-CA 3.45Å; C182-C191 WeakPolarHBondContact SG-CB 3.46Å; C182-C191 CovalentContact SG-SG 2.03Å; C182-C191 PolarHBondContact SG-SG 3.34Å; W186-C191 HydrophobicContact CB-CB 4.37Å; E187-C191 CarbonylContact O-C 3.35Å; E187-C191 WeakPolarHBondContact O-CA 3.2Å; G188-C191 PolarHBondContact O-N 3.37Å; C191-R193 VanDerWaalsContact C-N 3.3Å; C191-R193 PolarHBondContact O-N 3.26Å |
| 192 | D | 90.9 | Very high | 76.9 | Confident | 71 Ų | 71 | 95.7 Ų | 95.7 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | trans | -75.9 | -10.5 | -174 | 56.3 | -67.8 | 0 | 0 | 0 | 114.4 | E187 R190 | E187-D192 PolarHBondContact O-N 3.2Å; R190-D192 PolarHBondContact O-N 3.05Å | ||
| 193 | R | 87.8 | Confident | 75 | Confident | 158 Ų | 158 | 101.5 Ų | 101.5 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.6 | -170 | -49.3 | -176.7 | -176 | -178.2 | -2.7 | 110.5 | W186 E187 C191 Y195 | W186-R193 CarbonylContact C-O 3.57Å; W186-R193 VanDerWaalsContact CA-O 3.28Å; W186-R193 WeakPolarHBondContact CA-O 3.42Å; W186-R193 VanDerWaalsContact CE3-C 3.41Å; E187-R193 PolarHBondContact N-O 3.35Å; E187-R193 PolarHBondContact O-N 2.71Å; C191-R193 VanDerWaalsContact C-N 3.3Å; C191-R193 PolarHBondContact O-N 3.26Å; R193-Y195 PolarHBondContact O-N 3.47Å |
| 194 | H | 85.9 | Confident | 73 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.5 | 169.3 | -170.7 | -75.4 | 0 | 0 | 0 | 109.6 | G185 W186 V196 | G185-H194 CarbonylContact O-C 3.44Å; G185-H194 VanDerWaalsContact O-CA 3.3Å; G185-H194 WeakPolarHBondContact O-CA 3.4Å; G185-H194 PolarHBondContact O-CD2 3.16Å; W186-H194 AromaticContact CE2-CD2 3.91Å; W186-H194 HydrophobicContact CE3-CB 4.35Å; W186-H194 HydrophobicContact CH2-CB 4.18Å; W186-H194 HydrophobicContact CZ2-CB 4.44Å; W186-H194 AromaticContact CZ2-CD2 3.85Å; W186-H194 HydrophobicContact CZ3-CB 4.14Å; H194-V196 PolarHBondContact O-N 3.14Å |
| 195 | Y | 75.8 | Confident | 70.9 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | trans | -69.7 | 90.8 | 172.9 | -175.7 | -96 | 0 | 0 | 0 | 109.5 | G185 E187 R193 Q197 | G185-Y195 PolarHBondContact O-N 3.36Å; E187-Y195 HydrophobicContact CB-CD2 4.46Å; E187-Y195 HydrophobicContact CG-CD2 4.5Å; E187-Y195 WeakPolarHBondContact OE2-CD2 3.41Å; R193-Y195 PolarHBondContact O-N 3.47Å; Y195-Q197 HydrophobicContact CD1-CB 4.47Å; Y195-Q197 HydrophobicContact CE1-CB 3.89Å; Y195-Q197 HydrophobicContact CE1-CG 4Å | ||
| 196 | V | 69.6 | Low | 68.6 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | trans | -86.3 | 111.8 | 170 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | H194 A198 | H194-V196 PolarHBondContact O-N 3.14Å; V196-A198 HydrophobicContact CG1-CB 3.91Å; V196-A198 PolarHBondContact O-N 3.3Å | ||
| 197 | Q | 58.2 | Low | 66.4 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 54% | 0.542 | 59% | 0.592 | S | S | . | * | trans | -71.4 | 37 | 179.3 | -159 | -174 | -21.9 | 0 | 0 | 113.4 | Y195 F199 Y200 | Y195-Q197 HydrophobicContact CD1-CB 4.47Å; Y195-Q197 HydrophobicContact CE1-CB 3.89Å; Y195-Q197 HydrophobicContact CE1-CG 4Å; Q197-F199 PolarHBondContact O-N 2.87Å; Q197-Y200 PolarHBondContact NE2-O 3.42Å; Q197-Y200 VanDerWaalsContact NE2-O 3.13Å | ||
| 198 | A | 55.2 | Low | 64.3 | Low | 71 Ų | 71 | 118.8 Ų | 118.8 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -7.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | V196 | V196-A198 HydrophobicContact CG1-CB 3.91Å; V196-A198 PolarHBondContact O-N 3.3Å |
| 199 | F | 54.5 | Low | 62.4 | Low | 184 Ų | 184 | 125.4 Ų | 125.4 | 81% | 0.807 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -9.1 | -171.8 | -67 | -72.8 | 0 | 0 | 0 | 115.4 | Q197 | Q197-F199 PolarHBondContact O-N 2.87Š|
| 200 | Y | 49.6 | Very low | 60.4 | Low | 189 Ų | 189 | 124.2 Ų | 124.2 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | trans | -138 | 86.3 | 174.5 | -65.4 | -74.6 | 0 | 0 | 0 | 110.8 | Q197 | Q197-Y200 PolarHBondContact NE2-O 3.42Å; Q197-Y200 VanDerWaalsContact NE2-O 3.13Å | ||
| 201 | A | 51.5 | Low | 58.5 | Low | 85 Ų | 85 | 125 Ų | 125 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | trans | -62 | 132 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | I203 | A201-I203 PolarHBondContact O-N 3.15Š| ||
| 202 | P | 44.2 | Very low | 56.8 | Low | 102 Ų | 102 | 129.8 Ų | 129.8 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | trans | -65.4 | 125.4 | -177.2 | 25.7 | -33.6 | 0 | 0 | 0 | 110.7 | N204 | P202-N204 PolarHBondContact O-N 3.38Š| ||
| 203 | I | 52.6 | Low | 55 | Low | 155 Ų | 155 | 130.9 Ų | 130.9 | 80% | 0.795 | 69% | 0.688 | S | S | * | * | trans | -80.9 | 61.4 | -178.5 | -45.2 | 178.5 | 0 | 0 | 0 | 109.9 | A201 | A201-I203 PolarHBondContact O-N 3.15Š| ||
| 204 | N | 47 | Very low | 53.4 | Low | 158 Ų | 158 | 126.4 Ų | 126.4 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | trans | -131.9 | 113.9 | 177 | -94.4 | -23.7 | 0 | 0 | 0 | 110 | P202 | P202-N204 PolarHBondContact O-N 3.38Š| ||
| 205 | G | 43.3 | Very low | 52.3 | Low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 121.3 | 93.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 206 | R | 37 | Very low | 51.8 | Low | 237 Ų | 237 | 125 Ų | 125 | 89% | 0.894 | 69% | 0.691 | S | S | * | * | trans | 58.9 | 105.9 | 161.9 | -57.2 | -175.6 | -178.8 | -159.7 | -0.8 | 116.8 | N208 | R206-N208 VanDerWaalsContact C-N 3.27Å; R206-N208 PolarHBondContact O-N 3.09Å | ||
| 207 | Y | 44 | Very low | 52 | Low | 204 Ų | 204 | 122.9 Ų | 122.9 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | trans | -65.5 | 80.1 | 162.3 | -77 | -91.5 | 0 | 0 | 0 | 111.9 | Q209 | Y207-Q209 VanDerWaalsContact C-N 3.27Å; Y207-Q209 PolarHBondContact O-N 3.4Å | ||
| 208 | N | 43.5 | Very low | 53 | Low | 147 Ų | 147 | 124 Ų | 124 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -69.4 | 96.6 | 148.5 | -86.4 | -5.5 | 0 | 0 | 0 | 106.5 | R206 S210 | R206-N208 VanDerWaalsContact C-N 3.27Å; R206-N208 PolarHBondContact O-N 3.09Å; N208-S210 PolarHBondContact O-N 2.73Å | ||
| 209 | Q | 47.6 | Very low | 54.2 | Low | 163 Ų | 163 | 123.1 Ų | 123.1 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | -75.9 | 64.9 | -167.1 | -164.5 | 178 | 54.1 | 0 | 0 | 112.3 | Y207 S211 | Y207-Q209 VanDerWaalsContact C-N 3.27Å; Y207-Q209 PolarHBondContact O-N 3.4Å; Q209-S211 PolarHBondContact O-N 3.03Å; Q209-S211 VanDerWaalsContact O-N 3.14Å; Q209-S211 PolarHBondContact O-OG 3.26Å | ||
| 210 | S | 46.9 | Very low | 55.4 | Low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | trans | -50.4 | 117.5 | 170.7 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | N208 T212 | N208-S210 PolarHBondContact O-N 2.73Å; S210-T212 PolarHBondContact O-N 3.18Å; S210-T212 PolarHBondContact O-OG1 3.01Å | ||
| 211 | S | 51.3 | Low | 57.2 | Low | 104 Ų | 104 | 118 Ų | 118 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 32.2 | -160.5 | -39.6 | 0 | 0 | 0 | 0 | 115.1 | Q209 | Q209-S211 PolarHBondContact O-N 3.03Å; Q209-S211 VanDerWaalsContact O-N 3.14Å; Q209-S211 PolarHBondContact O-OG 3.26Å |
| 212 | T | 55.4 | Low | 58.9 | Low | 99 Ų | 99 | 117.4 Ų | 117.4 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -19.8 | -170.5 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | S210 A214 | S210-T212 PolarHBondContact O-N 3.18Å; S210-T212 PolarHBondContact O-OG1 3.01Å; T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 3.21Å |
| 213 | S | 53.2 | Low | 61 | Low | 95 Ų | 95 | 116.7 Ų | 116.7 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -19.1 | -178.6 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | P216 | S213-P216 WeakPolarHBondContact O-CD 3.29Å; S213-P216 WeakPolarHBondContact O-CG 3.34Å |
| 214 | A | 56.2 | Low | 62.7 | Low | 64 Ų | 64 | 114.2 Ų | 114.2 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.8 | -27.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T212 A217 F218 | T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 3.21Å; A214-A217 PolarHBondContact O-N 3.23Å; A214-F218 PolarHBondContact O-N 3.05Å |
| 215 | I | 61.8 | Low | 64.8 | Low | 121 Ų | 121 | 111.6 Ų | 111.6 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.1 | -52 | -174.5 | -56.9 | 173.3 | 0 | 0 | 0 | 112.5 | A217 F218 A219 | I215-A217 PolarHBondContact O-N 3.45Å; I215-F218 PolarHBondContact O-N 3.38Å; I215-A219 PolarHBondContact O-N 3.46Å |
| 216 | P | 65.6 | Low | 67.1 | Low | 70 Ų | 70 | 111.8 Ų | 111.8 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64 | -38.5 | 177.3 | 24 | -34.6 | 0 | 0 | 0 | 112.9 | S213 F218 A219 F220 | S213-P216 WeakPolarHBondContact O-CD 3.29Å; S213-P216 WeakPolarHBondContact O-CG 3.34Å; P216-F218 PolarHBondContact O-N 3.41Å; P216-A219 WeakPolarHBondContact O-CB 3.22Å; P216-A219 PolarHBondContact O-N 3.49Å; P216-F220 WeakPolarHBondContact O-CD2 3.21Å; P216-F220 PolarHBondContact O-N 2.83Å |
| 217 | A | 74.2 | Confident | 69.7 | Low | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A214 I215 A219 F220 L221 | A214-A217 PolarHBondContact O-N 3.23Å; I215-A217 PolarHBondContact O-N 3.45Å; A217-A219 VanDerWaalsContact C-N 3.34Å; A217-A219 PolarHBondContact O-N 3.4Å; A217-F220 PolarHBondContact O-N 3.48Å; A217-L221 WeakPolarHBondContact O-CG 3.41Å; A217-L221 PolarHBondContact O-N 3.3Å; A217-L221 VanDerWaalsContact O-N 3.08Å |
| 218 | F | 77.7 | Confident | 72 | Confident | 140 Ų | 140 | 101.6 Ų | 101.6 | 61% | 0.614 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.6 | -38.5 | 176 | -170.4 | -115.9 | 0 | 0 | 0 | 112.4 | A214 I215 P216 L221 I222 | A214-F218 PolarHBondContact O-N 3.05Å; I215-F218 PolarHBondContact O-N 3.38Å; P216-F218 PolarHBondContact O-N 3.41Å; F218-L221 PolarHBondContact O-N 3.02Å; F218-I222 HydrophobicContact CD1-CD1 3.79Å; F218-I222 HydrophobicContact CE1-CD1 3.52Å; F218-I222 HydrophobicContact CE1-CG1 4.49Å; F218-I222 HydrophobicContact CG-CD1 4.47Å; F218-I222 HydrophobicContact CZ-CD1 3.98Å; F218-I222 WeakPolarHBondContact O-CG1 3.47Å; F218-I222 PolarHBondContact O-N 3.31Å |
| 219 | A | 80.6 | Confident | 74.4 | Confident | 52 Ų | 52 | 98.8 Ų | 98.8 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I215 P216 A217 L221 I222 V223 | I215-A219 PolarHBondContact O-N 3.46Å; P216-A219 WeakPolarHBondContact O-CB 3.22Å; P216-A219 PolarHBondContact O-N 3.49Å; A217-A219 VanDerWaalsContact C-N 3.34Å; A217-A219 PolarHBondContact O-N 3.4Å; A219-L221 PolarHBondContact O-N 2.93Å; A219-I222 PolarHBondContact O-N 2.95Å; A219-V223 WeakPolarHBondContact O-CG2 3.44Å; A219-V223 PolarHBondContact O-N 3.42Å |
| 220 | F | 81.2 | Confident | 76.4 | Confident | 144 Ų | 144 | 95 Ų | 95 | 63% | 0.632 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 174.9 | -79.9 | -68 | 0 | 0 | 0 | 112.7 | P216 A217 I222 V223 M224 | P216-F220 WeakPolarHBondContact O-CD2 3.21Å; P216-F220 PolarHBondContact O-N 2.83Å; A217-F220 PolarHBondContact O-N 3.48Å; F220-I222 PolarHBondContact O-N 3.43Å; F220-V223 PolarHBondContact O-N 2.74Å; F220-M224 WeakPolarHBondContact O-CG 3.44Å; F220-M224 PolarHBondContact O-N 3.4Å |
| 221 | L | 86.4 | Confident | 78.6 | Confident | 121 Ų | 121 | 95 Ų | 95 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 176.1 | -69.5 | 174.3 | 0 | 0 | 0 | 112.2 | A217 F218 A219 M224 L225 | A217-L221 WeakPolarHBondContact O-CG 3.41Å; A217-L221 PolarHBondContact O-N 3.3Å; A217-L221 VanDerWaalsContact O-N 3.08Å; F218-L221 PolarHBondContact O-N 3.02Å; A219-L221 PolarHBondContact O-N 2.93Å; L221-M224 PolarHBondContact O-N 3.12Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.48Å |
| 222 | I | 87.5 | Confident | 80.6 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.5 | -71.8 | 169.6 | 0 | 0 | 0 | 111.3 | F218 A219 F220 M224 L225 I226 | F218-I222 HydrophobicContact CD1-CD1 3.79Å; F218-I222 HydrophobicContact CE1-CD1 3.52Å; F218-I222 HydrophobicContact CE1-CG1 4.49Å; F218-I222 HydrophobicContact CG-CD1 4.47Å; F218-I222 HydrophobicContact CZ-CD1 3.98Å; F218-I222 WeakPolarHBondContact O-CG1 3.47Å; F218-I222 PolarHBondContact O-N 3.31Å; A219-I222 PolarHBondContact O-N 2.95Å; F220-I222 PolarHBondContact O-N 3.43Å; I222-M224 PolarHBondContact O-N 2.98Å; I222-L225 PolarHBondContact O-N 3.48Å; I222-I226 HydrophobicContact CG2-CD1 3.75Å; I222-I226 HydrophobicContact CG2-CG1 4.45Å; I222-I226 VanDerWaalsContact O-CG1 3.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.49Å; I222-I226 PolarHBondContact O-N 3.31Å |
| 223 | V | 88.1 | Confident | 82.3 | Confident | 88 Ų | 88 | 91.7 Ų | 91.7 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 178 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | A219 F220 I226 M227 | A219-V223 WeakPolarHBondContact O-CG2 3.44Å; A219-V223 PolarHBondContact O-N 3.42Å; F220-V223 PolarHBondContact O-N 2.74Å; V223-I226 PolarHBondContact O-N 3.38Å; V223-M227 WeakPolarHBondContact O-CB 3.43Å; V223-M227 PolarHBondContact O-N 2.88Å |
| 224 | M | 88.6 | Confident | 84 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 51% | 0.507 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.7 | -70.8 | -64.2 | 152.2 | 0 | 0 | 112.4 | F220 L221 I222 M227 F228 | F220-M224 WeakPolarHBondContact O-CG 3.44Å; F220-M224 PolarHBondContact O-N 3.4Å; L221-M224 PolarHBondContact O-N 3.12Å; I222-M224 PolarHBondContact O-N 2.98Å; M224-M227 PolarHBondContact O-N 3.37Å; M224-M227 HydrophobicContact SD-CE 3.65Å; M224-F228 WeakPolarHBondContact O-CB 3.48Å; M224-F228 PolarHBondContact O-N 2.88Å |
| 225 | L | 91.1 | Very high | 85.4 | Confident | 103 Ų | 103 | 93.4 Ų | 93.4 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.2 | -178.4 | 63.6 | 0 | 0 | 0 | 111.9 | L221 I222 F228 I229 | L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.48Å; I222-L225 PolarHBondContact O-N 3.48Å; L225-F228 PolarHBondContact O-N 2.86Å; L225-I229 HydrophobicContact CD1-CD1 4.12Å; L225-I229 HydrophobicContact CD1-CG1 4.48Å; L225-I229 HydrophobicContact CG-CD1 3.97Å; L225-I229 VanDerWaalsContact O-CG1 3.26Å; L225-I229 WeakPolarHBondContact O-CG1 3.44Å; L225-I229 PolarHBondContact O-N 3.35Å |
| 226 | I | 91.6 | Very high | 86.6 | Confident | 76 Ų | 76 | 95.7 Ų | 95.7 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 175.5 | -69.2 | 167.3 | 0 | 0 | 0 | 110.3 | I222 V223 I229 T230 | I222-I226 HydrophobicContact CG2-CD1 3.75Å; I222-I226 HydrophobicContact CG2-CG1 4.45Å; I222-I226 VanDerWaalsContact O-CG1 3.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.49Å; I222-I226 PolarHBondContact O-N 3.31Å; V223-I226 PolarHBondContact O-N 3.38Å; I226-I229 PolarHBondContact O-N 3.23Å; I226-T230 WeakPolarHBondContact O-CG2 3.34Å; I226-T230 PolarHBondContact O-N 2.95Å; I226-T230 PolarHBondContact O-OG1 3.47Å |
| 227 | M | 91.1 | Very high | 87.3 | Confident | 94 Ų | 94 | 99.5 Ų | 99.5 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58 | -50.7 | 176.2 | -174 | -177.5 | 70.2 | 0 | 0 | 111 | V223 M224 I229 T230 I231 | V223-M227 WeakPolarHBondContact O-CB 3.43Å; V223-M227 PolarHBondContact O-N 2.88Å; M224-M227 PolarHBondContact O-N 3.37Å; M224-M227 HydrophobicContact SD-CE 3.65Å; M227-I229 PolarHBondContact O-N 3.31Å; M227-T230 PolarHBondContact O-N 2.83Å; M227-T230 VanDerWaalsContact O-N 3.12Å; M227-T230 PolarHBondContact O-OG1 3Å; M227-I231 HydrophobicContact CG-CD1 3.96Å; M227-I231 WeakPolarHBondContact O-CG1 3.3Å; M227-I231 PolarHBondContact O-N 3.19Å |
| 228 | F | 93.4 | Very high | 87.8 | Confident | 133 Ų | 133 | 103.5 Ų | 103.5 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57 | -46.6 | 178.1 | -176.6 | -102.6 | 0 | 0 | 0 | 112.3 | M224 L225 T230 I231 V232 | M224-F228 WeakPolarHBondContact O-CB 3.48Å; M224-F228 PolarHBondContact O-N 2.88Å; L225-F228 PolarHBondContact O-N 2.86Å; F228-T230 VanDerWaalsContact C-N 3.33Å; F228-T230 PolarHBondContact O-N 3.3Å; F228-I231 PolarHBondContact O-N 3.49Å; F228-V232 HydrophobicContact CD1-CG2 4.2Å; F228-V232 HydrophobicContact CE1-CG2 3.83Å; F228-V232 HydrophobicContact CE2-CG2 4.25Å; F228-V232 HydrophobicContact CZ-CG2 3.85Å; F228-V232 WeakPolarHBondContact O-CG2 3.34Å; F228-V232 PolarHBondContact O-N 3.12Å |
| 229 | I | 92.3 | Very high | 87.6 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 46% | 0.456 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 176.7 | -69.1 | 165.9 | 0 | 0 | 0 | 111.2 | L225 I226 M227 V232 V233 | L225-I229 HydrophobicContact CD1-CD1 4.12Å; L225-I229 HydrophobicContact CD1-CG1 4.48Å; L225-I229 HydrophobicContact CG-CD1 3.97Å; L225-I229 VanDerWaalsContact O-CG1 3.26Å; L225-I229 WeakPolarHBondContact O-CG1 3.44Å; L225-I229 PolarHBondContact O-N 3.35Å; I226-I229 PolarHBondContact O-N 3.23Å; M227-I229 PolarHBondContact O-N 3.31Å; I229-V232 PolarHBondContact O-N 3.44Å; I229-V233 HydrophobicContact CG2-CG2 4.33Å; I229-V233 WeakPolarHBondContact O-CB 3.34Å; I229-V233 VanDerWaalsContact O-CG2 3.29Å; I229-V233 WeakPolarHBondContact O-CG2 3.39Å; I229-V233 PolarHBondContact O-N 3.2Å |
| 230 | T | 90.4 | Very high | 87 | Confident | 82 Ų | 82 | 101.4 Ų | 101.4 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 176.5 | 59.6 | 0 | 0 | 0 | 0 | 113 | I226 M227 F228 Y234 | I226-T230 WeakPolarHBondContact O-CG2 3.34Å; I226-T230 PolarHBondContact O-N 2.95Å; I226-T230 PolarHBondContact O-OG1 3.47Å; M227-T230 PolarHBondContact O-N 2.83Å; M227-T230 VanDerWaalsContact O-N 3.12Å; M227-T230 PolarHBondContact O-OG1 3Å; F228-T230 VanDerWaalsContact C-N 3.33Å; F228-T230 PolarHBondContact O-N 3.3Å; T230-Y234 WeakPolarHBondContact O-CB 3.29Å; T230-Y234 PolarHBondContact O-N 3.42Å |
| 231 | I | 92.3 | Very high | 86.1 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 174.7 | -67.3 | 165.8 | 0 | 0 | 0 | 110.5 | M227 F228 Y234 A235 | M227-I231 HydrophobicContact CG-CD1 3.96Å; M227-I231 WeakPolarHBondContact O-CG1 3.3Å; M227-I231 PolarHBondContact O-N 3.19Å; F228-I231 PolarHBondContact O-N 3.49Å; I231-Y234 PolarHBondContact O-N 3.24Å; I231-A235 WeakPolarHBondContact O-CB 3.46Å; I231-A235 PolarHBondContact O-N 2.87Å |
| 232 | V | 92.9 | Very high | 84.8 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | F228 I229 Y234 A235 Y236 | F228-V232 HydrophobicContact CD1-CG2 4.2Å; F228-V232 HydrophobicContact CE1-CG2 3.83Å; F228-V232 HydrophobicContact CE2-CG2 4.25Å; F228-V232 HydrophobicContact CZ-CG2 3.85Å; F228-V232 WeakPolarHBondContact O-CG2 3.34Å; F228-V232 PolarHBondContact O-N 3.12Å; I229-V232 PolarHBondContact O-N 3.44Å; V232-Y234 PolarHBondContact O-N 3.14Å; V232-A235 PolarHBondContact O-N 3.4Å; V232-Y236 VanDerWaalsContact O-CB 3.29Å; V232-Y236 WeakPolarHBondContact O-CB 3.26Å; V232-Y236 PolarHBondContact O-N 3.04Å |
| 233 | V | 91.1 | Very high | 83.4 | Confident | 61 Ų | 61 | 102.1 Ų | 102.1 | 37% | 0.37 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | I229 R237 | I229-V233 HydrophobicContact CG2-CG2 4.33Å; I229-V233 WeakPolarHBondContact O-CB 3.34Å; I229-V233 VanDerWaalsContact O-CG2 3.29Å; I229-V233 WeakPolarHBondContact O-CG2 3.39Å; I229-V233 PolarHBondContact O-N 3.2Å; V233-R237 WeakPolarHBondContact O-CB 3.5Å; V233-R237 WeakPolarHBondContact O-CG 3.32Å; V233-R237 PolarHBondContact O-N 2.8Å |
| 234 | Y | 89.3 | Confident | 81.8 | Confident | 151 Ų | 151 | 102.4 Ų | 102.4 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67 | -46.8 | 173.8 | 174.4 | -101 | 0 | 0 | 0 | 111.7 | T230 I231 V232 R237 R238 | T230-Y234 WeakPolarHBondContact O-CB 3.29Å; T230-Y234 PolarHBondContact O-N 3.42Å; I231-Y234 PolarHBondContact O-N 3.24Å; V232-Y234 PolarHBondContact O-N 3.14Å; Y234-R237 PolarHBondContact O-N 2.8Å; Y234-R238 VanDerWaalsContact O-CB 3.29Å; Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 3.49Å |
| 235 | A | 86.9 | Confident | 80.2 | Confident | 45 Ų | 45 | 102.3 Ų | 102.3 | 37% | 0.372 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I231 V232 R237 R238 M239 | I231-A235 WeakPolarHBondContact O-CB 3.46Å; I231-A235 PolarHBondContact O-N 2.87Å; V232-A235 PolarHBondContact O-N 3.4Å; A235-R237 PolarHBondContact O-N 3.07Å; A235-R238 PolarHBondContact O-N 3Å; A235-R238 VanDerWaalsContact O-N 3.17Å; A235-M239 WeakPolarHBondContact O-CB 3.29Å; A235-M239 WeakPolarHBondContact O-CG 3.41Å; A235-M239 PolarHBondContact O-N 2.99Å |
| 236 | Y | 85.6 | Confident | 78.3 | Confident | 169 Ų | 169 | 103.5 Ų | 103.5 | 66% | 0.663 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -44.9 | 176.2 | -176.1 | -95 | 0 | 0 | 0 | 111.9 | V232 R238 M239 S240 | V232-Y236 VanDerWaalsContact O-CB 3.29Å; V232-Y236 WeakPolarHBondContact O-CB 3.26Å; V232-Y236 PolarHBondContact O-N 3.04Å; Y236-R238 PolarHBondContact O-N 3.47Å; Y236-M239 PolarHBondContact O-N 3.35Å; Y236-S240 WeakPolarHBondContact O-CB 3.49Å; Y236-S240 PolarHBondContact O-N 3.11Å |
| 237 | R | 81.6 | Confident | 76.6 | Confident | 150 Ų | 150 | 104.3 Ų | 104.3 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 175.2 | -79.1 | 179.3 | 153.6 | -129 | -15 | 113.3 | V233 Y234 A235 M239 K241 | V233-R237 WeakPolarHBondContact O-CB 3.5Å; V233-R237 WeakPolarHBondContact O-CG 3.32Å; V233-R237 PolarHBondContact O-N 2.8Å; Y234-R237 PolarHBondContact O-N 2.8Å; A235-R237 PolarHBondContact O-N 3.07Å; R237-M239 VanDerWaalsContact C-N 3.34Å; R237-K241 WeakPolarHBondContact O-CB 3.37Å; R237-K241 PolarHBondContact O-N 3Å; R237-K241 VanDerWaalsContact O-N 3.08Å |
| 238 | R | 84.3 | Confident | 74.7 | Confident | 138 Ų | 138 | 107.8 Ų | 107.8 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -32.2 | 176.5 | -173.4 | 176.5 | -177 | -177 | 1.3 | 112.1 | Y234 A235 Y236 | Y234-R238 VanDerWaalsContact O-CB 3.29Å; Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 3.49Å; A235-R238 PolarHBondContact O-N 3Å; A235-R238 VanDerWaalsContact O-N 3.17Å; Y236-R238 PolarHBondContact O-N 3.47Å |
| 239 | M | 72.7 | Confident | 72.8 | Confident | 105 Ų | 105 | 105.7 Ų | 105.7 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -79 | -47.6 | 174.4 | -67.4 | -61.1 | -77 | 0 | 0 | 111.3 | A235 Y236 R237 K241 R242 S243 | A235-M239 WeakPolarHBondContact O-CB 3.29Å; A235-M239 WeakPolarHBondContact O-CG 3.41Å; A235-M239 PolarHBondContact O-N 2.99Å; Y236-M239 PolarHBondContact O-N 3.35Å; R237-M239 VanDerWaalsContact C-N 3.34Å; M239-K241 VanDerWaalsContact C-N 3.29Å; M239-K241 PolarHBondContact O-N 3.24Å; M239-R242 CarbonylContact O-C 3.55Å; M239-R242 WeakPolarHBondContact O-CA 3.15Å; M239-R242 WeakPolarHBondContact O-CB 3.35Å; M239-R242 PolarHBondContact O-N 3.47Å; M239-S243 PolarHBondContact O-N 3.32Å; M239-S243 PolarHBondContact O-OG 2.94Å |
| 240 | S | 69 | Low | 70.7 | Confident | 42 Ų | 42 | 107.9 Ų | 107.9 | 29% | 0.294 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -49.5 | -49.3 | 173.4 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | Y236 R242 S243 D244 | Y236-S240 WeakPolarHBondContact O-CB 3.49Å; Y236-S240 PolarHBondContact O-N 3.11Å; S240-R242 PolarHBondContact O-N 3.45Å; S240-R242 VanDerWaalsContact O-N 3.16Å; S240-S243 CarbonylContact O-C 3.51Å; S240-S243 WeakPolarHBondContact O-CA 3.29Å; S240-S243 VanDerWaalsContact O-CB 3.29Å; S240-S243 WeakPolarHBondContact O-CB 3.38Å; S240-S243 PolarHBondContact O-N 2.93Å; S240-D244 PolarHBondContact O-N 3.08Å; S240-D244 PolarHBondContact OG-OD2 2.95Å |
| 241 | K | 62.4 | Low | 68.8 | Low | 147 Ų | 147 | 107.8 Ų | 107.8 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.4 | -32 | 179.1 | -169.6 | 174.4 | -179.3 | -175.4 | 0 | 113.3 | R237 M239 D245 | R237-K241 WeakPolarHBondContact O-CB 3.37Å; R237-K241 PolarHBondContact O-N 3Å; R237-K241 VanDerWaalsContact O-N 3.08Å; M239-K241 VanDerWaalsContact C-N 3.29Å; M239-K241 PolarHBondContact O-N 3.24Å; K241-D245 PolarHBondContact O-N 3.48Å |
| 242 | R | 59 | Low | 66.9 | Low | 145 Ų | 145 | 110.7 Ų | 110.7 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.4 | -37.1 | 172 | -69.1 | 167.9 | 162.9 | 172.6 | -10.6 | 112.1 | M239 S240 D244 M246 | M239-R242 CarbonylContact O-C 3.55Å; M239-R242 WeakPolarHBondContact O-CA 3.15Å; M239-R242 WeakPolarHBondContact O-CB 3.35Å; M239-R242 PolarHBondContact O-N 3.47Å; S240-R242 PolarHBondContact O-N 3.45Å; S240-R242 VanDerWaalsContact O-N 3.16Å; R242-D244 VanDerWaalsContact C-N 3.31Å; R242-M246 WeakPolarHBondContact O-CB 3.4Å; R242-M246 PolarHBondContact O-N 3.06Å |
| 243 | S | 57.8 | Low | 64.6 | Low | 61 Ų | 61 | 115 Ų | 115 | 43% | 0.427 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -38.7 | 173.8 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | M239 S240 M246 T247 | M239-S243 PolarHBondContact O-N 3.32Å; M239-S243 PolarHBondContact O-OG 2.94Å; S240-S243 CarbonylContact O-C 3.51Å; S240-S243 WeakPolarHBondContact O-CA 3.29Å; S240-S243 VanDerWaalsContact O-CB 3.29Å; S240-S243 WeakPolarHBondContact O-CB 3.38Å; S240-S243 PolarHBondContact O-N 2.93Å; S243-M246 PolarHBondContact O-N 3.04Å; S243-T247 VanDerWaalsContact O-CB 3.28Å; S243-T247 WeakPolarHBondContact O-CB 3.43Å; S243-T247 PolarHBondContact O-N 2.92Å; S243-T247 PolarHBondContact O-OG1 3.35Å |
| 244 | D | 54.7 | Low | 62.4 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -50.4 | 178.1 | -59.4 | -42.4 | 0 | 0 | 0 | 110.4 | S240 R242 M246 T247 Y248 | S240-D244 PolarHBondContact O-N 3.08Å; S240-D244 PolarHBondContact OG-OD2 2.95Å; R242-D244 VanDerWaalsContact C-N 3.31Å; D244-M246 PolarHBondContact O-N 3.39Å; D244-T247 PolarHBondContact O-N 2.97Å; D244-Y248 WeakPolarHBondContact O-CB 3.49Å; D244-Y248 PolarHBondContact O-N 3.36Å |
| 245 | D | 54 | Low | 60.5 | Low | 102 Ų | 102 | 114.6 Ų | 114.6 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.8 | -40.6 | 174.9 | -69.6 | -28.9 | 0 | 0 | 0 | 112.3 | K241 T249 | K241-D245 PolarHBondContact O-N 3.48Å; D245-T249 PolarHBondContact O-N 3.45Å; D245-T249 VanDerWaalsContact O-N 3.08Å; D245-T249 PolarHBondContact O-OG1 3.27Å |
| 246 | M | 52.8 | Low | 58.8 | Low | 128 Ų | 128 | 118.4 Ų | 118.4 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.6 | -39.1 | 177.2 | -179.1 | 174.9 | 169.3 | 0 | 0 | 112.6 | R242 S243 D244 T249 M250 | R242-M246 WeakPolarHBondContact O-CB 3.4Å; R242-M246 PolarHBondContact O-N 3.06Å; S243-M246 PolarHBondContact O-N 3.04Å; D244-M246 PolarHBondContact O-N 3.39Å; M246-T249 WeakPolarHBondContact CA-OG1 3.28Å; M246-T249 PolarHBondContact O-OG1 2.78Å; M246-T249 VanDerWaalsContact O-OG1 3.05Å; M246-M250 VanDerWaalsContact O-CB 3.24Å; M246-M250 WeakPolarHBondContact O-CB 3.24Å; M246-M250 PolarHBondContact O-N 2.98Å |
| 247 | T | 55.3 | Low | 56.9 | Low | 92 Ų | 92 | 118.5 Ų | 118.5 | 56% | 0.564 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.5 | -38.2 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | S243 D244 M250 S251 | S243-T247 VanDerWaalsContact O-CB 3.28Å; S243-T247 WeakPolarHBondContact O-CB 3.43Å; S243-T247 PolarHBondContact O-N 2.92Å; S243-T247 PolarHBondContact O-OG1 3.35Å; D244-T247 PolarHBondContact O-N 2.97Å; T247-M250 PolarHBondContact O-N 2.91Å; T247-S251 WeakPolarHBondContact O-CB 3.44Å; T247-S251 PolarHBondContact O-N 2.83Å; T247-S251 PolarHBondContact O-OG 3.33Å |
| 248 | Y | 51 | Low | 55.3 | Low | 168 Ų | 168 | 115.5 Ų | 115.5 | 66% | 0.659 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.8 | -49.4 | 175 | -168.5 | -101.5 | 0 | 0 | 0 | 111.1 | D244 M250 S251 H252 | D244-Y248 WeakPolarHBondContact O-CB 3.49Å; D244-Y248 PolarHBondContact O-N 3.36Å; Y248-M250 PolarHBondContact O-N 3.39Å; Y248-S251 PolarHBondContact O-N 3.44Å; Y248-S251 PolarHBondContact O-OG 2.85Å; Y248-H252 PolarHBondContact O-N 2.91Å |
| 249 | T | 52.8 | Low | 53.5 | Low | 88 Ų | 88 | 118.4 Ų | 118.4 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.2 | -37.3 | 176.6 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | D245 M246 H252 | D245-T249 PolarHBondContact O-N 3.45Å; D245-T249 VanDerWaalsContact O-N 3.08Å; D245-T249 PolarHBondContact O-OG1 3.27Å; M246-T249 WeakPolarHBondContact CA-OG1 3.28Å; M246-T249 PolarHBondContact O-OG1 2.78Å; M246-T249 VanDerWaalsContact O-OG1 3.05Å; T249-H252 PolarHBondContact O-N 3.08Å |
| 250 | M | 47.9 | Very low | 52.2 | Low | 136 Ų | 136 | 120.5 Ų | 120.5 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.6 | -36.9 | 176 | -172.2 | 172.8 | 173.4 | 0 | 0 | 112.8 | M246 T247 Y248 H252 M253 | M246-M250 VanDerWaalsContact O-CB 3.24Å; M246-M250 WeakPolarHBondContact O-CB 3.24Å; M246-M250 PolarHBondContact O-N 2.98Å; T247-M250 PolarHBondContact O-N 2.91Å; Y248-M250 PolarHBondContact O-N 3.39Å; M250-H252 PolarHBondContact O-N 3.49Å; M250-M253 PolarHBondContact O-N 3.17Å |
| 251 | S | 52.2 | Low | 51.2 | Low | 80 Ų | 80 | 124.9 Ų | 124.9 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.3 | -23.3 | 174.8 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | T247 Y248 | T247-S251 WeakPolarHBondContact O-CB 3.44Å; T247-S251 PolarHBondContact O-N 2.83Å; T247-S251 PolarHBondContact O-OG 3.33Å; Y248-S251 PolarHBondContact O-N 3.44Å; Y248-S251 PolarHBondContact O-OG 2.85Å |
| 252 | H | 50.9 | Low | 50.2 | Low | 151 Ų | 151 | 126.1 Ų | 126.1 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 2.5 | -177.3 | -142.4 | -57.3 | 0 | 0 | 0 | 113.6 | Y248 T249 M250 | Y248-H252 PolarHBondContact O-N 2.91Å; T249-H252 PolarHBondContact O-N 3.08Å; M250-H252 PolarHBondContact O-N 3.49Å |
| 253 | M | 45.4 | Very low | 49.4 | Very low | 161 Ų | 161 | 129 Ų | 129 | 79% | 0.793 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -3.6 | -180 | -76.5 | -74.4 | 170.9 | 0 | 0 | 114.2 | M250 P255 | M250-M253 PolarHBondContact O-N 3.17Å; M253-P255 WeakPolarHBondContact O-CD 3.48Å |
| 254 | C | 45.7 | Very low | 49 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 69% | 0.689 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -85.7 | 118.3 | 171.2 | -74.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 255 | P | 49.2 | Very low | 48.5 | Very low | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | trans | -72.1 | 131.6 | 177.9 | 28.6 | -33.7 | 0 | 0 | 0 | 111.4 | M253 E257 | M253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-E257 PolarHBondContact O-N 3.43Å | ||
| 256 | P | 50.5 | Low | 48.1 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 40.5 | -171.8 | 34.8 | -38.1 | 0 | 0 | 0 | 114.5 | ||
| 257 | E | 45.7 | Very low | 48 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -2.8 | -177 | -63.8 | -158.7 | 148 | 0 | 0 | 115.2 | P255 F259 | P255-E257 PolarHBondContact O-N 3.43Å; E257-F259 PolarHBondContact O-N 3.34Å |
| 258 | A | 47.2 | Very low | 47.3 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -76.9 | -15 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 259 | F | 46.8 | Very low | 46.9 | Very low | 199 Ų | 199 | 140.4 Ų | 140.4 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -137.7 | 60 | -172.4 | -86.8 | -81.3 | 0 | 0 | 0 | 113.7 | E257 | E257-F259 PolarHBondContact O-N 3.34Š|
| 260 | N | 45.9 | Very low | 46.7 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -143.1 | 31.9 | 171.3 | -94.7 | -46.5 | 0 | 0 | 0 | 114.2 | ||||
| 261 | V | 48.9 | Very low | 46.3 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -124.8 | 70.5 | 178 | -165.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 262 | L | 40.2 | Very low | 45.8 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -140.1 | 85.9 | 154.4 | -98.4 | 134.9 | 0 | 0 | 0 | 108.2 | T264 | L262-T264 PolarHBondContact O-N 3.33Š| ||
| 263 | K | 42.7 | Very low | 45.5 | Very low | 207 Ų | 207 | 145.8 Ų | 145.8 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 110.8 | 174.5 | -77.8 | -179.7 | 174.8 | 175.6 | 0 | 109.8 | ||||
| 264 | T | 48.7 | Very low | 45.1 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -78.5 | 146.1 | 155.4 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | L262 N266 | L262-T264 PolarHBondContact O-N 3.33Å; T264-N266 PolarHBondContact O-N 3.44Å; T264-N266 VanDerWaalsContact O-N 3.11Å | ||
| 265 | P | 44.1 | Very low | 44.7 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -78.4 | 5.7 | -165.1 | 30.3 | -36.8 | 0 | 0 | 0 | 115.5 | ||
| 266 | N | 47.2 | Very low | 44.1 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -124.5 | 105.8 | 177.6 | -76.4 | -52.5 | 0 | 0 | 0 | 109.5 | T264 R268 | T264-N266 PolarHBondContact O-N 3.44Å; T264-N266 VanDerWaalsContact O-N 3.11Å; N266-R268 PolarHBondContact O-N 2.94Å |
| 267 | G | 49.8 | Very low | 43.2 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | -69.2 | 88.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 268 | R | 41.5 | Very low | 42.4 | Very low | 228 Ų | 228 | 147.3 Ų | 147.3 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -130.6 | 103 | 172 | -168.5 | 175.7 | -172.6 | 175.7 | 2.6 | 110.3 | N266 I270 | N266-R268 PolarHBondContact O-N 2.94Å; R268-I270 PolarHBondContact O-N 2.8Å | ||
| 269 | H | 42.3 | Very low | 41.6 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | -62.3 | 133 | 173.6 | -82.9 | -94.2 | 0 | 0 | 0 | 110.9 | ||||
| 270 | I | 47 | Very low | 40.9 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | -102.3 | 116.4 | 170.3 | -57.8 | 175.3 | 0 | 0 | 0 | 107.2 | R268 V272 | R268-I270 PolarHBondContact O-N 2.8Å; I270-V272 HydrophobicContact CG2-CG2 3.96Å; I270-V272 PolarHBondContact O-N 2.86Å; I270-V272 VanDerWaalsContact O-N 3.1Å | ||
| 271 | P | 40.9 | Very low | 40.1 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -78.9 | 92.5 | 179 | 30.7 | -33.4 | 0 | 0 | 0 | 110.9 | H273 | P271-H273 PolarHBondContact O-N 2.92Å; P271-H273 VanDerWaalsContact O-N 3.09Å | ||
| 272 | V | 40.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | trans | -84.5 | 79 | 179.1 | -171.8 | 0 | 0 | 0 | 0 | 111 | I270 | I270-V272 HydrophobicContact CG2-CG2 3.96Å; I270-V272 PolarHBondContact O-N 2.86Å; I270-V272 VanDerWaalsContact O-N 3.1Å | ||
| 273 | H | 44.7 | Very low | 39.2 | Very low | 191 Ų | 191 | 146 Ų | 146 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -120.3 | 55.8 | 164.4 | -96.3 | -58.3 | 0 | 0 | 0 | 110.9 | P271 | P271-H273 PolarHBondContact O-N 2.92Å; P271-H273 VanDerWaalsContact O-N 3.09Å | ||
| 274 | Q | 37.5 | Very low | 38.7 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -139.4 | 92.1 | 169.4 | -70.1 | -167.3 | -1.3 | 0 | 0 | 111.4 | ||||
| 275 | I | 36.1 | Very low | 38.2 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -130.5 | 94 | 150.9 | -57.2 | -179.3 | 0 | 0 | 0 | 106.4 | ||||
| 276 | P | 38.1 | Very low | 37.6 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -67 | 139.5 | 172.3 | -17.7 | 32 | 0 | 0 | 0 | 110.5 | C278 | P276-C278 PolarHBondContact O-N 3.16Š| ||
| 277 | S | 31.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -63.6 | 124.9 | 168.8 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | S279 | S277-S279 PolarHBondContact O-N 2.9Š| ||
| 278 | C | 28.3 | Very low | 36.1 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 95% | 0.946 | 80% | 0.802 | S | S | * | * | trans | -63.5 | 97.2 | -176.9 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | P276 | P276-C278 PolarHBondContact O-N 3.16Š| ||
| 279 | S | 30.1 | Very low | 36.7 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -94.2 | 121.8 | 162.4 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | S277 T281 | S277-S279 PolarHBondContact O-N 2.9Å; S279-T281 PolarHBondContact O-N 2.91Å | ||
| 280 | Y | 31.8 | Very low | 37 | Very low | 226 Ų | 226 | 133.4 Ų | 133.4 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -82.7 | 105.5 | -174.2 | -161.3 | -86.5 | 0 | 0 | 0 | 110.5 | ||||
| 281 | T | 31 | Very low | 36.3 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -138.8 | 130.3 | 176.3 | -38.8 | 0 | 0 | 0 | 0 | 110.6 | S279 | S279-T281 PolarHBondContact O-N 2.91Š| ||
| 282 | I | 35.6 | Very low | 35.8 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 136.7 | -179.4 | -62.4 | 172.3 | 0 | 0 | 0 | 109.6 | ||||
| 283 | P | 34.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -86.7 | 147.5 | -172.9 | 33.4 | -36 | 0 | 0 | 0 | 114.3 | ||||
| 284 | T | 31.9 | Very low | 34.5 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -132 | 140.4 | 155.9 | 42.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 285 | P | 37.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 128 Ų | 128 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -95.1 | 146.6 | -171.5 | 35.6 | -34.5 | 0 | 0 | 0 | 113.8 | ||||
| 286 | G | 31.3 | Very low | 34.6 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 173.8 | 94.9 | 170 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 287 | T | 31.2 | Very low | 34.1 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | 71.3 | 149.4 | 148.3 | -46.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 288 | V | 35.5 | Very low | 34.2 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -157.3 | 155.7 | -165.3 | -166 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 289 | P | 54.2 | Low | 34.3 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | -104.4 | -91.5 | -40.1 | 30.2 | -10.6 | 0 | 0 | 0 | 110.1 | ||||
| 290 | P | 48 | Very low | 34.9 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | cis | -122.8 | 159.1 | -27.7 | 39.3 | -24.3 | 0 | 0 | 0 | 116.3 | ||||
| 291 | N | 31.5 | Very low | 35.2 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 61.6 | 152.9 | 153.9 | -69.4 | -6.2 | 0 | 0 | 0 | 119.6 | ||||
| 292 | I | 30.3 | Very low | 35.2 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -158.4 | 140.3 | -9.3 | -105 | 161.7 | 0 | 0 | 0 | 104 | ||||
| 293 | S | 27.9 | Very low | 35.3 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | 179.6 | 157.3 | 69.9 | -164 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 294 | S | 30.9 | Very low | 35.2 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 41.6 | 131.6 | 143.3 | 60 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 295 | T | 32.4 | Very low | 35.4 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | -95.5 | -155.5 | 168.1 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 296 | P | 44.5 | Very low | 35.1 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | -120.2 | 173 | -83.6 | 38.1 | -23.2 | 0 | 0 | 0 | 114 | |||||
| 297 | G | 27.2 | Very low | 35.6 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -140.5 | 115.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 298 | S | 32.4 | Very low | 35.9 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -75.1 | 140.9 | -179.9 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 299 | R | 31.3 | Very low | 36 | Very low | 241 Ų | 241 | 139.3 Ų | 139.3 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -138.9 | 109.4 | 159.6 | -81.3 | -166.6 | 173.9 | -176 | -0.9 | 111.7 | ||||
| 300 | I | 42.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -80.8 | 137.4 | 157.9 | -62.1 | 165.3 | 0 | 0 | 0 | 108 | ||||
| 301 | P | 37.6 | Very low | 34.7 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -120.7 | 113.3 | 140.9 | 32.6 | -23.9 | 0 | 0 | 0 | 109.1 | ||||
| 302 | T | 31.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | 69 | 97.5 | 82.6 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | Q304 | T302-Q304 PolarHBondContact O-N 3.19Š| |||
| 303 | R | 36.8 | Very low | 35.5 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -59 | 119.2 | 175.3 | 175.3 | -173.1 | -176.6 | -178.9 | 1 | 111.5 | ||||
| 304 | Q | 31.5 | Very low | 36 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -107.9 | 134.7 | 158.8 | -75.6 | -171.6 | -18.6 | 0 | 0 | 109.8 | T302 | T302-Q304 PolarHBondContact O-N 3.19Š| ||
| 305 | Q | 37.1 | Very low | 36.5 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -94.2 | 127.6 | 169.6 | -72.5 | 171.4 | -91.9 | 0 | 0 | 109.1 | ||||
| 306 | A | 31.3 | Very low | 37 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -120.8 | 90.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R308 | A306-R308 PolarHBondContact O-N 3.08Š| ||
| 307 | I | 42 | Very low | 36.8 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | trans | -79.7 | 114.5 | 169.9 | -61.3 | 173.2 | 0 | 0 | 0 | 107.2 | ||||
| 308 | R | 37.2 | Very low | 37.4 | Very low | 231 Ų | 231 | 154.6 Ų | 154.6 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -155.2 | 126.8 | 166.3 | -114.5 | 172.6 | -174.1 | -179.6 | 1.2 | 112.6 | A306 | A306-R308 PolarHBondContact O-N 3.08Š| ||
| 309 | N | 37 | Very low | 37.6 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | 31.2 | 100.3 | 158.8 | -58.1 | 21.1 | 0 | 0 | 0 | 118.3 | ||||
| 310 | N | 38.1 | Very low | 37.9 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -113 | 15.6 | 167.1 | -165.2 | 32 | 0 | 0 | 0 | 113.8 | ||
| 311 | E | 37.2 | Very low | 37.7 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -101.1 | -28.5 | -178.9 | -63.8 | -175.9 | 131.2 | 0 | 0 | 112.6 | A313 | E311-A313 VanDerWaalsContact C-N 3.29Å; E311-A313 PolarHBondContact O-N 3.05Å |
| 312 | Q | 39.8 | Very low | 37.9 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -6.5 | -171.6 | -151.1 | 161.5 | 11.8 | 0 | 0 | 114.3 | ||
| 313 | A | 38.2 | Very low | 38.1 | Very low | 74 Ų | 74 | 152.7 Ų | 152.7 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -17.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E311 | E311-A313 VanDerWaalsContact C-N 3.29Å; E311-A313 PolarHBondContact O-N 3.05Å |
| 314 | R | 39.5 | Very low | 38.2 | Very low | 222 Ų | 222 | 151.9 Ų | 151.9 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -82.8 | -16.3 | -167.2 | -153.5 | 168.2 | -177 | 170.6 | -1.8 | 114.6 | ||
| 315 | N | 41.4 | Very low | 38.3 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -94.7 | -11.9 | -176.2 | -65.7 | -4.5 | 0 | 0 | 0 | 113.9 | F317 | N315-F317 VanDerWaalsContact C-N 3.29Å; N315-F317 PolarHBondContact O-N 2.86Å |
| 316 | N | 41.9 | Very low | 38 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 54% | 0.535 | 76% | 0.757 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | 2 | -172.1 | -65.1 | -21.5 | 0 | 0 | 0 | 114.7 | S319 | N316-S319 PolarHBondContact O-OG 2.95Š|
| 317 | F | 40.9 | Very low | 38.1 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -19.9 | 177.4 | -124 | -87.6 | 0 | 0 | 0 | 113.5 | N315 | N315-F317 VanDerWaalsContact C-N 3.29Å; N315-F317 PolarHBondContact O-N 2.86Å |
| 318 | F | 39.8 | Very low | 37.7 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 80% | 0.803 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -96.5 | -6 | 178.8 | -75.4 | -76.4 | 0 | 0 | 0 | 114.2 | ||
| 319 | S | 36.4 | Very low | 37.4 | Very low | 68 Ų | 68 | 142 Ų | 142 | 48% | 0.476 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -84.2 | -21.1 | 178.5 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | N316 | N316-S319 PolarHBondContact O-OG 2.95Š|
| 320 | I | 38.3 | Very low | 37.3 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -78.5 | -23.6 | -172.4 | -62.2 | 176.4 | 0 | 0 | 0 | 112.5 | R322 S323 | I320-R322 PolarHBondContact O-N 3.31Å; I320-S323 PolarHBondContact O-OG 2.89Å |
| 321 | L | 38.5 | Very low | 37 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -85.1 | 19.9 | 178.2 | -69.2 | 173.1 | 0 | 0 | 0 | 114 | ||
| 322 | R | 40.8 | Very low | 37 | Very low | 228 Ų | 228 | 144.3 Ų | 144.3 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -129.3 | 14.9 | -171.6 | -140.6 | 176.7 | -165.5 | 160.3 | 4.5 | 115.1 | I320 | I320-R322 PolarHBondContact O-N 3.31Š|
| 323 | S | 35.8 | Very low | 36.6 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -112.1 | 14.3 | -168.1 | 56.9 | 0 | 0 | 0 | 0 | 115.9 | I320 | I320-S323 PolarHBondContact O-OG 2.89Š|
| 324 | Q | 39.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -130.1 | 135.1 | 165.9 | -63.7 | -160.8 | 15.3 | 0 | 0 | 110.6 | ||
| 325 | G | 32.8 | Very low | 36.6 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 98.8 | 48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | I327 | G325-I327 PolarHBondContact O-N 3.08Š| ||
| 326 | T | 30.8 | Very low | 36.5 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -76.5 | 103.7 | 168.7 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 327 | I | 34.6 | Very low | 36.3 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -85.6 | 136.4 | 162.3 | -62.3 | 173.9 | 0 | 0 | 0 | 107.9 | G325 S329 | G325-I327 PolarHBondContact O-N 3.08Å; I327-S329 PolarHBondContact O-N 2.67Å; I327-S329 VanDerWaalsContact O-N 3.14Å | ||
| 328 | P | 33.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 107.9 | -175.7 | 27.6 | -34.5 | 0 | 0 | 0 | 112.3 | R330 | P328-R330 PolarHBondContact O-N 2.81Š| ||
| 329 | S | 31.9 | Very low | 35.9 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 114.3 | 170.7 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | I327 | I327-S329 PolarHBondContact O-N 2.67Å; I327-S329 VanDerWaalsContact O-N 3.14Å | ||
| 330 | R | 33.4 | Very low | 36 | Very low | 238 Ų | 238 | 149.7 Ų | 149.7 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 136.2 | 162 | -77.5 | -174.9 | 170.4 | -170.1 | -2.9 | 109.1 | P328 I332 | P328-R330 PolarHBondContact O-N 2.81Å; R330-I332 PolarHBondContact O-N 3.48Å |
| 331 | S | 33.3 | Very low | 35.6 | Very low | 113 Ų | 113 | 155.2 Ų | 155.2 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 124.4 | 170.6 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 332 | I | 35.6 | Very low | 35.4 | Very low | 152 Ų | 152 | 156.9 Ų | 156.9 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 141.2 | 160.9 | -70.4 | 175.1 | 0 | 0 | 0 | 106.5 | R330 | R330-I332 PolarHBondContact O-N 3.48Š|
| 333 | N | 31.3 | Very low | 35.2 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 68% | 0.684 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 137.2 | 175.5 | -85.5 | 1.8 | 0 | 0 | 0 | 110.5 | D335 | N333-D335 VanDerWaalsContact C-N 3.26Å; N333-D335 PolarHBondContact O-N 2.73Å |
| 334 | D | 39.4 | Very low | 34.9 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -1.1 | 178.7 | -74.8 | -59.1 | 0 | 0 | 0 | 114.3 | ||
| 335 | D | 39.2 | Very low | 34.7 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -15.5 | -172.6 | -74.4 | -58 | 0 | 0 | 0 | 115.5 | N333 | N333-D335 VanDerWaalsContact C-N 3.26Å; N333-D335 PolarHBondContact O-N 2.73Å |
| 336 | D | 40.1 | Very low | 34.6 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -110.7 | 46.4 | -168.2 | -100.1 | -41.6 | 0 | 0 | 0 | 114.6 | ||
| 337 | T | 36.7 | Very low | 34.5 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | -134.9 | 128.5 | 166.5 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 338 | P | 33.1 | Very low | 34.3 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -78.1 | 136.4 | -179 | 30.3 | -34.3 | 0 | 0 | 0 | 113 | H340 | P338-H340 PolarHBondContact O-N 3.42Š| ||
| 339 | K | 40.1 | Very low | 34.1 | Very low | 199 Ų | 199 | 157.5 Ų | 157.5 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | -76.7 | 73.1 | -171.3 | -63.6 | 175.4 | -179.5 | 170.6 | 0 | 114.8 | ||||
| 340 | H | 37.3 | Very low | 34.1 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -139.8 | 90.7 | 167 | -80.6 | -39.7 | 0 | 0 | 0 | 114.9 | P338 | P338-H340 PolarHBondContact O-N 3.42Š| ||
| 341 | Y | 30.4 | Very low | 34 | Very low | 240 Ų | 240 | 150.5 Ų | 150.5 | 94% | 0.941 | 81% | 0.811 | S | S | * | * | trans | -117.4 | 111.6 | 151.6 | -85.8 | -81.8 | 0 | 0 | 0 | 109.7 | ||||
| 342 | K | 33.4 | Very low | 34.1 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 142.1 | 160 | -86.2 | -179.7 | 173.2 | 176.8 | 0 | 108.3 | V344 | K342-V344 PolarHBondContact O-N 3.38Š|
| 343 | S | 37.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 118.9 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 344 | V | 30.2 | Very low | 33.9 | Very low | 133 Ų | 133 | 154.9 Ų | 154.9 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.6 | 163.9 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | K342 | K342-V344 PolarHBondContact O-N 3.38Š|
| 345 | P | 33.9 | Very low | 33.7 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.2 | 178.1 | 28.7 | -34.1 | 0 | 0 | 0 | 111 | V347 | P345-V347 PolarHBondContact O-N 3.37Š|
| 346 | R | 31.9 | Very low | 33.4 | Very low | 234 Ų | 234 | 149 Ų | 149 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.7 | 165.7 | -83.7 | -178.1 | 164.1 | 136.6 | -3.1 | 108.9 | ||
| 347 | V | 28.1 | Very low | 33 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -83.9 | 114 | 162.8 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | P345 | P345-V347 PolarHBondContact O-N 3.37Š| ||
| 348 | E | 30.5 | Very low | 33 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -83.3 | 116.7 | 172.5 | -63.4 | -173.4 | 161.1 | 0 | 0 | 108.8 | S350 | E348-S350 PolarHBondContact O-N 3.48Š| ||
| 349 | V | 29.9 | Very low | 32.9 | Very low | 141 Ų | 141 | 150 Ų | 150 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -80.7 | 98.1 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 350 | S | 31.1 | Very low | 32.7 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 148.5 | 171.6 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | E348 I352 | E348-S350 PolarHBondContact O-N 3.48Å; S350-I352 PolarHBondContact O-N 2.88Å |
| 351 | A | 30.6 | Very low | 32.4 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 124.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 352 | I | 34.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 124.1 | 172 | -59.9 | 178.7 | 0 | 0 | 0 | 109 | S350 Y354 | S350-I352 PolarHBondContact O-N 2.88Å; I352-Y354 HydrophobicContact CB-CE2 4.41Å; I352-Y354 HydrophobicContact CG2-CD2 3.91Å; I352-Y354 HydrophobicContact CG2-CE2 3.55Å |
| 353 | N | 30.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -89.5 | 106.5 | -178.5 | 178.2 | 20.2 | 0 | 0 | 0 | 110.8 | ||||
| 354 | Y | 32.5 | Very low | 32.4 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -94.9 | 95.2 | 173 | -84.1 | -82.9 | 0 | 0 | 0 | 111.4 | I352 | I352-Y354 HydrophobicContact CB-CE2 4.41Å; I352-Y354 HydrophobicContact CG2-CD2 3.91Å; I352-Y354 HydrophobicContact CG2-CE2 3.55Å | ||
| 355 | S | 36.4 | Very low | 32.5 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -94.3 | 93.6 | 164.7 | 171.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 356 | G | 31.1 | Very low | 32.4 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -136.4 | 117.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 357 | H | 31.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -76 | 138.1 | 171.4 | -136.1 | -95.1 | 0 | 0 | 0 | 108.9 | D359 | H357-D359 IonicContact CE1-OD1 3.26Å; H357-D359 PolarHBondContact CE1-OD1 3.25Å; H357-D359 VanDerWaalsContact CE1-OD1 3.26Å; H357-D359 IonicContact CG-OD1 3.99Å; H357-D359 IonicContact ND1-OD1 2.73Å; H357-D359 PolarHBondContact ND1-OD1 3.3Å | ||
| 358 | I | 38.1 | Very low | 32.4 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 67% | 0.672 | 78% | 0.778 | S | S | * | * | trans | -129.3 | 109.1 | 170.7 | -57.8 | 179.6 | 0 | 0 | 0 | 107.1 | F360 | I358-F360 HydrophobicContact CB-CE2 4.28Å; I358-F360 HydrophobicContact CG2-CD2 4.24Å; I358-F360 HydrophobicContact CG2-CE2 3.72Å; I358-F360 HydrophobicContact CG2-CZ 4.08Å | ||
| 359 | D | 29.3 | Very low | 32.5 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -88.2 | 117.2 | -177.1 | -64.9 | -32.2 | 0 | 0 | 0 | 110.8 | H357 S361 | H357-D359 IonicContact CE1-OD1 3.26Å; H357-D359 PolarHBondContact CE1-OD1 3.25Å; H357-D359 VanDerWaalsContact CE1-OD1 3.26Å; H357-D359 IonicContact CG-OD1 3.99Å; H357-D359 IonicContact ND1-OD1 2.73Å; H357-D359 PolarHBondContact ND1-OD1 3.3Å; D359-S361 PolarHBondContact O-N 3.39Å | ||
| 360 | F | 36.7 | Very low | 32.5 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -94.7 | 79.8 | 177.5 | -74.3 | -90.1 | 0 | 0 | 0 | 110.7 | I358 | I358-F360 HydrophobicContact CB-CE2 4.28Å; I358-F360 HydrophobicContact CG2-CD2 4.24Å; I358-F360 HydrophobicContact CG2-CE2 3.72Å; I358-F360 HydrophobicContact CG2-CZ 4.08Å | ||
| 361 | S | 31.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -142.4 | 16.4 | -176.2 | 62.8 | 0 | 0 | 0 | 0 | 117.3 | D359 | D359-S361 PolarHBondContact O-N 3.39Š| ||
| 362 | T | 37 | Very low | 32.6 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -145.8 | 65.2 | 172.3 | 57 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 363 | V | 34.9 | Very low | 32.3 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -143.5 | 111.5 | 141.4 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 364 | S | 29.7 | Very low | 32.3 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -139.2 | 107.8 | 171.7 | 59.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 365 | Y | 32.6 | Very low | 32.4 | Very low | 241 Ų | 241 | 140.3 Ų | 140.3 | 95% | 0.945 | 79% | 0.789 | S | S | * | * | trans | -133.9 | 156.8 | 154.6 | -89.8 | -73.7 | 0 | 0 | 0 | 109.4 | ||||
| 366 | Q | 31.6 | Very low | 32.2 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -139.4 | 165.1 | -154.8 | -176.3 | 176.4 | 1.8 | 0 | 0 | 108.9 | ||||
| 367 | S | 28.1 | Very low | 32.5 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 79.5 | 151.7 | 174.1 | -51.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 368 | T | 32.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | -179.2 | 150.6 | -53.2 | 28.7 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 369 | E | 31.2 | Very low | 32.4 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | 73.2 | 135.6 | 167.1 | -64.6 | -176.8 | 164.4 | 0 | 0 | 119.4 | ||||
| 370 | S | 29.5 | Very low | 32.8 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 50.8 | 104.3 | 143.4 | -157.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 371 | E | 30.9 | Very low | 32.7 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | -167.7 | 176.9 | 95.9 | -106.4 | 179.5 | -165.4 | 0 | 0 | 113.4 | |||||
| 372 | V | 33.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -101.3 | 118.4 | -173.3 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 373 | S | 29.2 | Very low | 32.7 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | 179.7 | 148.4 | 145.9 | -94.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 374 | K | 30.6 | Very low | 32.6 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | 65.3 | 160.9 | 151.8 | -67.6 | 173.5 | -177.9 | 179.6 | 0 | 118.6 | ||||
| 375 | A | 34.9 | Very low | 32.7 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -84 | 138.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 376 | S | 31.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 138 | 177.7 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 377 | V | 36.2 | Very low | 32.7 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136 | -174.4 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 378 | T | 37.3 | Very low | 32.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.1 | 174.9 | -33.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 379 | C | 32.2 | Very low | 32.9 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.4 | 176 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 380 | P | 36.8 | Very low | 32.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 144.7 | 175.4 | 28.8 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 381 | P | 34.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 155.4 | 171.3 | 30.3 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 382 | P | 34.8 | Very low | 33.2 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 138.3 | -179.1 | 28.4 | -35 | 0 | 0 | 0 | 111.8 | H384 | P382-H384 PolarHBondContact O-N 2.95Š|
| 383 | A | 33.7 | Very low | 33.1 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T385 | A383-T385 PolarHBondContact O-N 3.41Š|
| 384 | H | 32.5 | Very low | 33.2 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 112.7 | 174.3 | -77.9 | -91 | 0 | 0 | 0 | 110.5 | P382 V386 | P382-H384 PolarHBondContact O-N 2.95Å; H384-V386 PolarHBondContact O-N 2.93Å; H384-V386 VanDerWaalsContact O-N 3.09Å | ||
| 385 | T | 32.4 | Very low | 33.2 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 100.5 | 173.5 | 34.2 | 0 | 0 | 0 | 0 | 111.3 | A383 I387 | A383-T385 PolarHBondContact O-N 3.41Å; T385-I387 PolarHBondContact O-N 3.36Å | ||
| 386 | V | 30.3 | Very low | 33.1 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -69.5 | 110.1 | 168.6 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | H384 N388 | H384-V386 PolarHBondContact O-N 2.93Å; H384-V386 VanDerWaalsContact O-N 3.09Å; V386-N388 PolarHBondContact O-N 3.09Å; V386-N388 VanDerWaalsContact O-N 3.14Å | ||
| 387 | I | 32.8 | Very low | 33.1 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -81.8 | 88.9 | 172.4 | -55.6 | 177.8 | 0 | 0 | 0 | 108 | T385 I389 | T385-I387 PolarHBondContact O-N 3.36Å; I387-I389 HydrophobicContact CG2-CG1 4.14Å; I387-I389 PolarHBondContact O-N 3.1Å | ||
| 388 | N | 28.2 | Very low | 32.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -65.2 | 113.1 | 164.7 | -88.6 | -8.1 | 0 | 0 | 0 | 108.9 | V386 E390 | V386-N388 PolarHBondContact O-N 3.09Å; V386-N388 VanDerWaalsContact O-N 3.14Å; N388-E390 PolarHBondContact O-N 3.34Å | ||
| 389 | I | 35.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 138 Ų | 138 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | trans | -90.2 | 81.5 | 167.2 | -54.5 | 178.7 | 0 | 0 | 0 | 106.8 | I387 L391 | I387-I389 HydrophobicContact CG2-CG1 4.14Å; I387-I389 PolarHBondContact O-N 3.1Å; I389-L391 PolarHBondContact O-N 2.92Å; I389-L391 VanDerWaalsContact O-N 3.13Å | ||
| 390 | E | 31.4 | Very low | 32 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -65.1 | 110 | 163.7 | -71.3 | -171.9 | 120.7 | 0 | 0 | 107.8 | N388 D392 | N388-E390 PolarHBondContact O-N 3.34Å; E390-D392 VanDerWaalsContact C-N 3.32Å; E390-D392 PolarHBondContact O-N 3.46Å | ||
| 391 | L | 35.2 | Very low | 32.1 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -82.4 | 83.4 | -177.9 | -163.3 | 79.8 | 0 | 0 | 0 | 109.3 | I389 S393 | I389-L391 PolarHBondContact O-N 2.92Å; I389-L391 VanDerWaalsContact O-N 3.13Å; L391-S393 PolarHBondContact O-N 3.11Å | ||
| 392 | D | 31.3 | Very low | 31.9 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -64.6 | 100.8 | -177 | -156.7 | 2.6 | 0 | 0 | 0 | 110.9 | E390 | E390-D392 VanDerWaalsContact C-N 3.32Å; E390-D392 PolarHBondContact O-N 3.46Å | ||
| 393 | S | 33 | Very low | 31.7 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -146 | 58.7 | -174.5 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | L391 | L391-S393 PolarHBondContact O-N 3.11Š| ||
| 394 | A | 31.1 | Very low | 31.5 | Very low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -125.4 | 69 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 395 | D | 30.8 | Very low | 31.6 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -146.3 | 89.9 | 159.9 | -152.2 | -8.3 | 0 | 0 | 0 | 113.5 | ||||
| 396 | T | 32.8 | Very low | 31.4 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -163.5 | 118.3 | 145.4 | -0.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 397 | N | 30.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -64 | 140.7 | 173.2 | -74.2 | -92.7 | 0 | 0 | 0 | 111.3 | ||||
| 398 | F | 26.9 | Very low | 31.5 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | -174.7 | 101.4 | 124 | -107.3 | -74.3 | 0 | 0 | 0 | 114.2 | |||||
| 399 | R | 27.3 | Very low | 31.5 | Very low | 214 Ų | 214 | 140.8 Ų | 140.8 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | 52.7 | 98.7 | 129.9 | -165.2 | -172 | -157.2 | -172.1 | 8.1 | 119.8 | |||||
| 400 | S | 29.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 150.4 | 151 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 401 | P | 38.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | -137.6 | 164 | 120.8 | 38.7 | -29 | 0 | 0 | 0 | 114.4 | |||||
| 402 | S | 30.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -76.4 | 162.1 | -168.3 | -39.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 403 | R | 30.5 | Very low | 31.6 | Very low | 238 Ų | 238 | 133.3 Ų | 133.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | 106.5 | 144 | 129.8 | -139.2 | -179.1 | -171.5 | -176.2 | 1.3 | 119.9 | |||||
| 404 | S | 30.9 | Very low | 31.4 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | trans | 80.8 | 113 | 145.1 | 55.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 405 | S | 33.4 | Very low | 31.6 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | 51.6 | 123.3 | 129.9 | 63.8 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 406 | G | 28.4 | Very low | 32.2 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -168.3 | 103.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 407 | E | 32.3 | Very low | 32.1 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -110.5 | 166.7 | 179.4 | -160.6 | -168.9 | 99.9 | 0 | 0 | 110.8 | ||||
| 408 | Q | 32.6 | Very low | 32.5 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | 87.7 | 133.6 | 171.7 | -52.2 | -174.7 | -2.4 | 0 | 0 | 116.3 | ||||
| 409 | G | 28.1 | Very low | 32.8 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 163.6 | 18.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 410 | S | 34.7 | Very low | 33.2 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -87.7 | 138.6 | 163 | -68.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 411 | P | 41.7 | Very low | 34 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | -152.6 | 172.9 | 89.6 | 41.4 | -24.4 | 0 | 0 | 0 | 117.3 | |||||
| 412 | A | 29.1 | Very low | 33.8 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 83% | 0.827 | S | S | * | * | trans | 69.2 | 103.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 413 | T | 30.5 | Very low | 33.9 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | 49.8 | 117.2 | 112.7 | -42.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 414 | C | 29.5 | Very low | 34.1 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | -163 | 114.1 | 130 | -97.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 415 | E | 34.6 | Very low | 34.3 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 72% | 0.72 | 83% | 0.834 | S | S | * | * | trans | -88.4 | 159.7 | 151.4 | -145.1 | -155 | 118.3 | 0 | 0 | 107.6 | M417 | E415-M417 PolarHBondContact OE1-N 3.25Š| ||
| 416 | P | 43.8 | Very low | 34.4 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | -153.8 | 150 | 85.4 | 38.6 | -19.6 | 0 | 0 | 0 | 117.7 | |||||
| 417 | M | 31.1 | Very low | 34.8 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | trans | 35.9 | 111.5 | 134.6 | -55.1 | -171.8 | 79.3 | 0 | 0 | 121.1 | E415 | E415-M417 PolarHBondContact OE1-N 3.25Š| ||
| 418 | I | 39.6 | Very low | 35 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 73% | 0.728 | 83% | 0.831 | S | S | * | * | 11.5 | 132.2 | 122.8 | -54.1 | 168.3 | 0 | 0 | 0 | 117.5 | |||||
| 419 | R | 33.2 | Very low | 35.2 | Very low | 245 Ų | 245 | 142.9 Ų | 142.9 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -129.2 | 134.1 | 142.4 | -88.9 | -167 | 176.3 | -169.3 | 0.2 | 111.6 | ||||
| 420 | H | 34.6 | Very low | 35.7 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 80% | 0.801 | 83% | 0.831 | S | S | * | * | trans | -89.5 | 142.2 | 157.8 | -82.3 | -91.4 | 0 | 0 | 0 | 110 | ||||
| 421 | T | 46.5 | Very low | 35.8 | Very low | 210 Ų | 210 | 150.7 Ų | 150.7 | 100% | 1.288 | 83% | 0.83 | S | S | * | * | trans | -147.9 | 0 | 147.5 | 49.6 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 421 of 421 residues in 176.4 ms
(Link to these results)