| 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 | 48.2 | Very low | 74.9 | Confident | 242 Ų | 242 | 133.4 Ų | 133.4 | 100% | 1.192 | 66% | 0.655 | S | S | * | * | 0 | 114.2 | 0 | -73 | -179.4 | 166.2 | 0 | 0 | 107.5 | F3 | M1-F3 PolarHBondContact O-N 3.47Š| |||
| 2 | L | 56.5 | Low | 75.8 | Confident | 177 Ų | 177 | 133.6 Ų | 133.6 | 93% | 0.927 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -65 | 124.8 | -171.4 | -63.3 | 159 | 0 | 0 | 0 | 108.7 | S4 | L2-S4 PolarHBondContact O-N 3.42Å; L2-S4 VanDerWaalsContact O-N 3.09Å |
| 3 | F | 59.9 | Low | 76.4 | Confident | 181 Ų | 181 | 133.2 Ų | 133.2 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 120.6 | 170.2 | -69.3 | -84.7 | 0 | 0 | 0 | 107.9 | M1 S5 | M1-F3 PolarHBondContact O-N 3.47Å; F3-S5 PolarHBondContact O-N 3.06Å |
| 4 | S | 79.4 | Confident | 77 | Confident | 60 Ų | 60 | 127.5 Ų | 127.5 | 42% | 0.42 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -52.3 | 129.1 | 178.7 | -177.3 | 0 | 0 | 0 | 0 | 108 | L2 S6 L7 L8 | L2-S4 PolarHBondContact O-N 3.42Å; L2-S4 VanDerWaalsContact O-N 3.09Å; S4-S6 PolarHBondContact O-N 3.09Å; S4-S6 PolarHBondContact OG-OG 3.49Å; S4-L7 WeakPolarHBondContact O-CB 3.36Å; S4-L7 PolarHBondContact O-N 3.37Å; S4-L8 PolarHBondContact O-N 3.27Å |
| 5 | S | 74.4 | Confident | 77.6 | Confident | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -49.2 | -30.8 | 178.5 | 48.8 | 0 | 0 | 0 | 0 | 112 | F3 L8 Q9 | F3-S5 PolarHBondContact O-N 3.06Å; S5-L8 PolarHBondContact O-N 3.27Å; S5-Q9 VanDerWaalsContact O-CB 3.28Å; S5-Q9 WeakPolarHBondContact O-CB 3.18Å; S5-Q9 PolarHBondContact O-N 3.1Å |
| 6 | S | 77.9 | Confident | 78.1 | Confident | 41 Ų | 41 | 124.4 Ų | 124.4 | 29% | 0.287 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.2 | -38.2 | 174.1 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | S4 R10 | S4-S6 PolarHBondContact O-N 3.09Å; S4-S6 PolarHBondContact OG-OG 3.49Å; S6-R10 WeakPolarHBondContact O-CD 3.32Å; S6-R10 WeakPolarHBondContact O-CG 3.46Å; S6-R10 PolarHBondContact O-N 3.31Å; S6-R10 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 83.7 | Confident | 78.4 | Confident | 81 Ų | 81 | 121.8 Ų | 121.8 | 42% | 0.424 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.9 | -50.8 | 175 | -81.3 | 154.5 | 0 | 0 | 0 | 109.1 | S4 Q9 R10 W11 | S4-L7 WeakPolarHBondContact O-CB 3.36Å; S4-L7 PolarHBondContact O-N 3.37Å; L7-Q9 VanDerWaalsContact C-N 3.28Å; L7-Q9 PolarHBondContact O-N 3.29Å; L7-R10 WeakPolarHBondContact O-CB 3.16Å; L7-R10 PolarHBondContact O-N 3.42Å; L7-R10 VanDerWaalsContact O-N 3.09Å; L7-W11 PolarHBondContact O-N 3.26Å |
| 8 | L | 83.6 | Confident | 78.6 | Confident | 94 Ų | 94 | 123.4 Ų | 123.4 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.1 | -41.4 | -179.2 | -169.2 | 64.7 | 0 | 0 | 0 | 111.6 | S4 S5 W11 F12 | S4-L8 PolarHBondContact O-N 3.27Å; S5-L8 PolarHBondContact O-N 3.27Å; L8-W11 PolarHBondContact O-N 2.92Å; L8-F12 HydrophobicContact CD1-CD2 4.17Å; L8-F12 HydrophobicContact CD1-CE2 3.72Å; L8-F12 HydrophobicContact CD2-CE2 3.99Å; L8-F12 HydrophobicContact CG-CD2 3.8Å; L8-F12 HydrophobicContact CG-CE2 3.54Å; L8-F12 WeakPolarHBondContact O-CD2 3.27Å; L8-F12 PolarHBondContact O-N 2.96Å |
| 9 | Q | 84.8 | Confident | 78.5 | Confident | 141 Ų | 141 | 122.6 Ų | 122.6 | 66% | 0.659 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63 | -41.6 | 175.2 | -174.6 | 179.1 | -8.5 | 0 | 0 | 112.7 | S5 L7 W11 F12 F13 | S5-Q9 VanDerWaalsContact O-CB 3.28Å; S5-Q9 WeakPolarHBondContact O-CB 3.18Å; S5-Q9 PolarHBondContact O-N 3.1Å; L7-Q9 VanDerWaalsContact C-N 3.28Å; L7-Q9 PolarHBondContact O-N 3.29Å; Q9-W11 VanDerWaalsContact C-N 3.34Å; Q9-F12 PolarHBondContact O-N 3.45Å; Q9-F13 WeakPolarHBondContact O-CB 3.2Å; Q9-F13 PolarHBondContact O-N 3.29Å |
| 10 | R | 86.5 | Confident | 78.1 | Confident | 177 Ų | 177 | 117.9 Ų | 117.9 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.1 | -38.6 | 175.2 | -71.7 | 166.4 | -173.4 | -171.5 | 2.5 | 111.7 | S6 L7 F13 A14 | S6-R10 WeakPolarHBondContact O-CD 3.32Å; S6-R10 WeakPolarHBondContact O-CG 3.46Å; S6-R10 PolarHBondContact O-N 3.31Å; S6-R10 VanDerWaalsContact O-N 3.11Å; L7-R10 WeakPolarHBondContact O-CB 3.16Å; L7-R10 PolarHBondContact O-N 3.42Å; L7-R10 VanDerWaalsContact O-N 3.09Å; R10-F13 PolarHBondContact O-N 3.13Å; R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.39Å |
| 11 | W | 89.1 | Confident | 77.4 | Confident | 177 Ų | 177 | 117.8 Ų | 117.8 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.2 | -45.8 | 175.5 | -83.7 | 95.3 | 0 | 0 | 0 | 111.8 | L7 L8 Q9 F13 A14 V15 | L7-W11 PolarHBondContact O-N 3.26Å; L8-W11 PolarHBondContact O-N 2.92Å; Q9-W11 VanDerWaalsContact C-N 3.34Å; W11-F13 VanDerWaalsContact C-N 3.32Å; W11-F13 PolarHBondContact O-N 3.15Å; W11-A14 PolarHBondContact O-N 2.82Å; W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.29Å; W11-V15 PolarHBondContact O-N 3.46Å |
| 12 | F | 86.1 | Confident | 78.2 | Confident | 136 Ų | 136 | 109.9 Ų | 109.9 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.9 | -41.4 | 173.8 | -83.9 | -64.9 | 0 | 0 | 0 | 112.1 | L8 Q9 V15 F16 | L8-F12 HydrophobicContact CD1-CD2 4.17Å; L8-F12 HydrophobicContact CD1-CE2 3.72Å; L8-F12 HydrophobicContact CD2-CE2 3.99Å; L8-F12 HydrophobicContact CG-CD2 3.8Å; L8-F12 HydrophobicContact CG-CE2 3.54Å; L8-F12 WeakPolarHBondContact O-CD2 3.27Å; L8-F12 PolarHBondContact O-N 2.96Å; Q9-F12 PolarHBondContact O-N 3.45Å; F12-V15 PolarHBondContact O-N 2.8Å; F12-F16 WeakPolarHBondContact O-CB 3.39Å; F12-F16 PolarHBondContact O-N 3.06Å |
| 13 | F | 83.6 | Confident | 78.2 | Confident | 129 Ų | 129 | 106 Ų | 106 | 57% | 0.566 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | 176.5 | -158.7 | -100.2 | 0 | 0 | 0 | 111.8 | Q9 R10 W11 F16 L17 | Q9-F13 WeakPolarHBondContact O-CB 3.2Å; Q9-F13 PolarHBondContact O-N 3.29Å; R10-F13 PolarHBondContact O-N 3.13Å; W11-F13 VanDerWaalsContact C-N 3.32Å; W11-F13 PolarHBondContact O-N 3.15Å; F13-F16 PolarHBondContact O-N 2.89Å; F13-L17 HydrophobicContact CD1-CD1 3.69Å; F13-L17 HydrophobicContact CD1-CG 4.01Å; F13-L17 HydrophobicContact CE1-CD1 3.66Å; F13-L17 HydrophobicContact CE1-CD2 4.22Å; F13-L17 HydrophobicContact CE1-CG 3.96Å; F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.37Å; F13-L17 PolarHBondContact O-N 3.47Å |
| 14 | A | 85.2 | Confident | 77.9 | Confident | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R10 W11 F16 L17 L18 | R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.39Å; W11-A14 PolarHBondContact O-N 2.82Å; A14-F16 VanDerWaalsContact C-N 3.31Å; A14-F16 PolarHBondContact O-N 3.2Å; A14-L17 PolarHBondContact O-N 3.33Å; A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.18Å; A14-L18 PolarHBondContact O-N 2.88Å |
| 15 | V | 86 | Confident | 76.7 | Confident | 77 Ų | 77 | 108 Ų | 108 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.5 | -38.6 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | W11 F12 L18 C19 | W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.29Å; W11-V15 PolarHBondContact O-N 3.46Å; F12-V15 PolarHBondContact O-N 2.8Å; V15-L18 PolarHBondContact O-N 3.38Å; V15-C19 WeakPolarHBondContact O-CB 3.27Å; V15-C19 PolarHBondContact O-N 3.02Å |
| 16 | F | 85.6 | Confident | 75.9 | Confident | 129 Ų | 129 | 107.5 Ų | 107.5 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -43.3 | 175.6 | -175.3 | -96.3 | 0 | 0 | 0 | 111.9 | F12 F13 A14 L18 C19 S20 | F12-F16 WeakPolarHBondContact O-CB 3.39Å; F12-F16 PolarHBondContact O-N 3.06Å; F13-F16 PolarHBondContact O-N 2.89Å; A14-F16 VanDerWaalsContact C-N 3.31Å; A14-F16 PolarHBondContact O-N 3.2Å; F16-L18 VanDerWaalsContact C-N 3.25Å; F16-L18 PolarHBondContact O-N 2.99Å; F16-C19 PolarHBondContact O-N 3.04Å; F16-S20 WeakPolarHBondContact O-CA 3.23Å; F16-S20 VanDerWaalsContact O-CB 3.25Å; F16-S20 WeakPolarHBondContact O-CB 3.35Å; F16-S20 PolarHBondContact O-N 3.02Å; F16-S20 PolarHBondContact O-OG 2.83Å |
| 17 | L | 82.7 | Confident | 75.1 | Confident | 79 Ų | 79 | 115.9 Ų | 115.9 | 41% | 0.414 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.8 | -25.6 | 173.1 | -71.4 | 178.3 | 0 | 0 | 0 | 113.1 | F13 A14 S20 V22 | F13-L17 HydrophobicContact CD1-CD1 3.69Å; F13-L17 HydrophobicContact CD1-CG 4.01Å; F13-L17 HydrophobicContact CE1-CD1 3.66Å; F13-L17 HydrophobicContact CE1-CD2 4.22Å; F13-L17 HydrophobicContact CE1-CG 3.96Å; F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.37Å; F13-L17 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 3.33Å; L17-S20 CarbonylContact C-O 3.58Å; L17-V22 HydrophobicContact CD2-CB 4.04Å; L17-V22 HydrophobicContact CD2-CG1 4.4Å; L17-V22 HydrophobicContact CD2-CG2 3.49Å; L17-V22 VanDerWaalsContact CD2-CG2 3.49Å |
| 18 | L | 81.7 | Confident | 73.7 | Confident | 151 Ų | 151 | 116.2 Ų | 116.2 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -82.1 | -36.7 | 176.9 | -170.3 | 65.8 | 0 | 0 | 0 | 111.9 | A14 V15 F16 | A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.18Å; A14-L18 PolarHBondContact O-N 2.88Å; V15-L18 PolarHBondContact O-N 3.38Å; F16-L18 VanDerWaalsContact C-N 3.25Å; F16-L18 PolarHBondContact O-N 2.99Å |
| 19 | C | 77.3 | Confident | 72.4 | Confident | 108 Ų | 108 | 115.7 Ų | 115.7 | 73% | 0.73 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.6 | -27.6 | 178 | -88.2 | 0 | 0 | 0 | 0 | 113.5 | V15 F16 | V15-C19 WeakPolarHBondContact O-CB 3.27Å; V15-C19 PolarHBondContact O-N 3.02Å; F16-C19 PolarHBondContact O-N 3.04Å |
| 20 | S | 70.2 | Confident | 71.1 | Confident | 28 Ų | 28 | 114.7 Ų | 114.7 | 20% | 0.196 | 61% | 0.614 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | 124.6 | 174 | 68.9 | 0 | 0 | 0 | 0 | 109.1 | F16 L17 V22 | F16-S20 WeakPolarHBondContact O-CA 3.23Å; F16-S20 VanDerWaalsContact O-CB 3.25Å; F16-S20 WeakPolarHBondContact O-CB 3.35Å; F16-S20 PolarHBondContact O-N 3.02Å; F16-S20 PolarHBondContact O-OG 2.83Å; L17-S20 CarbonylContact C-O 3.58Å; S20-V22 PolarHBondContact O-N 2.96Å; S20-V22 WeakPolarHBondContact OG-CG2 3.37Å |
| 21 | P | 63.9 | Low | 69.6 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 89 | 170.8 | 28.3 | -31.4 | 0 | 0 | 0 | 107.9 | P23 | P21-P23 VanDerWaalsContact O-CD 3.23Å; P21-P23 WeakPolarHBondContact O-CD 3.25Å |
| 22 | V | 64.1 | Low | 67.9 | Low | 76 Ų | 76 | 110.4 Ų | 110.4 | 46% | 0.461 | 62% | 0.622 | S | S | . | * | trans | -74.8 | 113.1 | 172 | 173 | 0 | 0 | 0 | 0 | 107.9 | L17 S20 F24 | L17-V22 HydrophobicContact CD2-CB 4.04Å; L17-V22 HydrophobicContact CD2-CG1 4.4Å; L17-V22 HydrophobicContact CD2-CG2 3.49Å; L17-V22 VanDerWaalsContact CD2-CG2 3.49Å; S20-V22 PolarHBondContact O-N 2.96Å; S20-V22 WeakPolarHBondContact OG-CG2 3.37Å; V22-F24 PolarHBondContact O-N 3.42Å | ||
| 23 | P | 56.6 | Low | 66.4 | Low | 95 Ų | 95 | 106.2 Ų | 106.2 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | trans | -78.2 | 93.3 | 179 | 32 | -30 | 0 | 0 | 0 | 108.1 | P21 A25 | P21-P23 VanDerWaalsContact O-CD 3.23Å; P21-P23 WeakPolarHBondContact O-CD 3.25Å; P23-A25 PolarHBondContact O-N 3.36Å | ||
| 24 | F | 54.3 | Low | 64.9 | Low | 204 Ų | 204 | 102.2 Ų | 102.2 | 90% | 0.895 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -71.1 | 113.5 | 162.6 | -140.1 | -93.5 | 0 | 0 | 0 | 107.1 | V22 | V22-F24 PolarHBondContact O-N 3.42Š|
| 25 | A | 54.1 | Low | 63.5 | Low | 81 Ų | 81 | 110.2 Ų | 110.2 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 71 | 78 | 175 | 0 | 0 | 0 | 0 | 0 | 117 | P23 R27 | P23-A25 PolarHBondContact O-N 3.36Å; A25-R27 PolarHBondContact O-N 3.32Å |
| 26 | G | 58.1 | Low | 61.9 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 88% | 0.876 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 56.1 | 4.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 27 | R | 59.3 | Low | 60.6 | Low | 217 Ų | 217 | 117.9 Ų | 117.9 | 82% | 0.819 | 65% | 0.649 | S | S | * | * | trans | -109.9 | 125.8 | 177.1 | -84.7 | -87.1 | -150.3 | -128 | -2.1 | 108.9 | A25 V29 | A25-R27 PolarHBondContact O-N 3.32Å; R27-V29 PolarHBondContact O-N 3.39Å | ||
| 28 | P | 54.3 | Low | 59.7 | Low | 88 Ų | 88 | 124.2 Ų | 124.2 | 57% | 0.571 | 67% | 0.668 | S | S | * | * | trans | -65.4 | 129.5 | -176.8 | 23.5 | -30.7 | 0 | 0 | 0 | 111.3 | D30 | P28-D30 HydrophobicContact CB-CB 4.37Å; P28-D30 VanDerWaalsContact CB-OD2 3.29Å; P28-D30 WeakPolarHBondContact CB-OD2 3.43Å; P28-D30 PolarHBondContact O-N 2.79Å | ||
| 29 | V | 57.8 | Low | 59.2 | Low | 82 Ų | 82 | 122.3 Ų | 122.3 | 50% | 0.497 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | 18.4 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | R27 T31 S33 | R27-V29 PolarHBondContact O-N 3.39Å; V29-T31 VanDerWaalsContact C-N 3.28Å; V29-T31 PolarHBondContact O-N 2.81Å; V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.3Å; V29-S33 VanDerWaalsContact O-N 3.15Å |
| 30 | D | 56.1 | Low | 59.1 | Low | 120 Ų | 120 | 121.4 Ų | 121.4 | 64% | 0.642 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73 | -21.9 | -172.7 | -64.4 | -23.8 | 0 | 0 | 0 | 112.6 | P28 G34 | P28-D30 HydrophobicContact CB-CB 4.37Å; P28-D30 VanDerWaalsContact CB-OD2 3.29Å; P28-D30 WeakPolarHBondContact CB-OD2 3.43Å; P28-D30 PolarHBondContact O-N 2.79Å; D30-G34 PolarHBondContact O-N 3.44Å |
| 31 | T | 55.8 | Low | 59.7 | Low | 128 Ų | 128 | 124.3 Ų | 124.3 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77 | -31 | -179.4 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | V29 | V29-T31 VanDerWaalsContact C-N 3.28Å; V29-T31 PolarHBondContact O-N 2.81Å |
| 32 | L | 54.3 | Low | 60.9 | Low | 136 Ų | 136 | 124.5 Ų | 124.5 | 71% | 0.712 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -89.9 | -36.7 | 175.8 | -79 | 164.8 | 0 | 0 | 0 | 111.8 | R35 M36 | L32-R35 PolarHBondContact O-N 2.74Å; L32-M36 PolarHBondContact O-N 2.95Å |
| 33 | S | 53.8 | Low | 62 | Low | 49 Ų | 49 | 126 Ų | 126 | 34% | 0.343 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68.5 | -35.9 | -178.3 | -169 | 0 | 0 | 0 | 0 | 112.7 | V29 R35 M36 R37 | V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.3Å; V29-S33 VanDerWaalsContact O-N 3.15Å; S33-R35 PolarHBondContact O-N 3.38Å; S33-R35 VanDerWaalsContact O-N 3.15Å; S33-M36 PolarHBondContact O-N 3.42Å; S33-R37 WeakPolarHBondContact O-CB 3.37Å; S33-R37 PolarHBondContact O-N 2.94Å |
| 34 | G | 52.8 | Low | 63.8 | Low | 45 Ų | 45 | 125.6 Ų | 125.6 | 46% | 0.464 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -63.8 | -19.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D30 | D30-G34 PolarHBondContact O-N 3.44Å |
| 35 | R | 55.1 | Low | 65.6 | Low | 220 Ų | 220 | 119.3 Ų | 119.3 | 83% | 0.83 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -87.2 | -33.1 | 170.4 | -164.1 | -170 | -67.3 | -165.2 | 1.1 | 112 | L32 S33 | L32-R35 PolarHBondContact O-N 2.74Å; S33-R35 PolarHBondContact O-N 3.38Å; S33-R35 VanDerWaalsContact O-N 3.15Å |
| 36 | M | 52.3 | Low | 67.6 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 79% | 0.793 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.1 | -25.9 | -176.6 | -161.7 | 87.6 | 84.5 | 0 | 0 | 113.3 | L32 S33 | L32-M36 PolarHBondContact O-N 2.95Å; S33-M36 PolarHBondContact O-N 3.42Å |
| 37 | R | 58.2 | Low | 69.4 | Low | 207 Ų | 207 | 121.6 Ų | 121.6 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | trans | -121.9 | 47.3 | -168.3 | -68.8 | -94.2 | 176.8 | 169.3 | -3 | 113 | S33 S39 | S33-R37 WeakPolarHBondContact O-CB 3.37Å; S33-R37 PolarHBondContact O-N 2.94Å; R37-S39 VanDerWaalsContact C-N 3.33Å; R37-S39 PolarHBondContact O-N 2.9Å | ||
| 38 | R | 64.3 | Low | 71.1 | Confident | 211 Ų | 211 | 114 Ų | 114 | 80% | 0.796 | 60% | 0.595 | S | S | * | * | trans | -82.1 | 92.2 | 158.8 | -64.7 | -176.2 | -171.6 | 173.2 | 0.2 | 106.5 | V40 | R38-V40 PolarHBondContact O-N 3.22Š| ||
| 39 | S | 70.6 | Confident | 73 | Confident | 112 Ų | 112 | 114.9 Ų | 114.9 | 78% | 0.783 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -54 | 134.3 | 170.3 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | R37 | R37-S39 VanDerWaalsContact C-N 3.33Å; R37-S39 PolarHBondContact O-N 2.9Å |
| 40 | V | 74.8 | Confident | 74.8 | Confident | 89 Ų | 89 | 114.2 Ų | 114.2 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 134.3 | 177.9 | 176 | 0 | 0 | 0 | 0 | 107.9 | R38 Q44 L45 | R38-V40 PolarHBondContact O-N 3.22Å; V40-Q44 HydrophobicContact CG1-CB 3.55Å; V40-Q44 HydrophobicContact CG1-CG 3.47Å; V40-Q44 VanDerWaalsContact CG1-CG 3.47Å; V40-L45 HydrophobicContact CG1-CB 4.25Å |
| 41 | T | 83.9 | Confident | 76.7 | Confident | 89 Ų | 89 | 115.7 Ų | 115.7 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 145.1 | 175.7 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | T43 Q44 L45 | T41-T43 PolarHBondContact O-N 2.97Å; T41-Q44 WeakPolarHBondContact O-CA 3.36Å; T41-Q44 WeakPolarHBondContact O-CB 3.38Å; T41-Q44 PolarHBondContact O-N 3.47Å; T41-Q44 VanDerWaalsContact OG1-CB 3.26Å; T41-Q44 WeakPolarHBondContact OG1-CB 3.41Å; T41-L45 PolarHBondContact O-N 3.48Å |
| 42 | D | 88.8 | Confident | 78.6 | Confident | 120 Ų | 120 | 115.6 Ų | 115.6 | 64% | 0.642 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -53.6 | -40.9 | -177.5 | -176.4 | 52.4 | 0 | 0 | 0 | 113 | Q44 L45 M46 | D42-Q44 VanDerWaalsContact C-N 3.31Å; D42-Q44 PolarHBondContact O-N 3.45Å; D42-L45 WeakPolarHBondContact O-CB 3.3Å; D42-L45 PolarHBondContact O-N 2.89Å; D42-M46 WeakPolarHBondContact O-CG 3.46Å; D42-M46 PolarHBondContact O-N 3.38Å |
| 43 | T | 87.8 | Confident | 80.7 | Confident | 108 Ų | 108 | 114.5 Ų | 114.5 | 66% | 0.663 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -35.8 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | T41 H47 | T41-T43 PolarHBondContact O-N 2.97Å; T43-H47 WeakPolarHBondContact O-CB 3.26Å; T43-H47 PolarHBondContact O-N 3.13Å |
| 44 | Q | 93.4 | Very high | 82.7 | Confident | 85 Ų | 85 | 118.7 Ų | 118.7 | 40% | 0.397 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.1 | -40.7 | 178.5 | 179.5 | 65.3 | 38.4 | 0 | 0 | 110 | V40 T41 D42 M46 H47 D48 | V40-Q44 HydrophobicContact CG1-CB 3.55Å; V40-Q44 HydrophobicContact CG1-CG 3.47Å; V40-Q44 VanDerWaalsContact CG1-CG 3.47Å; T41-Q44 WeakPolarHBondContact O-CA 3.36Å; T41-Q44 WeakPolarHBondContact O-CB 3.38Å; T41-Q44 PolarHBondContact O-N 3.47Å; T41-Q44 VanDerWaalsContact OG1-CB 3.26Å; T41-Q44 WeakPolarHBondContact OG1-CB 3.41Å; D42-Q44 VanDerWaalsContact C-N 3.31Å; D42-Q44 PolarHBondContact O-N 3.45Å; Q44-M46 PolarHBondContact O-N 3.48Å; Q44-H47 PolarHBondContact O-N 3.44Å; Q44-D48 PolarHBondContact NE2-OD1 3.36Å; Q44-D48 PolarHBondContact NE2-OD2 3.36Å; Q44-D48 WeakPolarHBondContact O-CB 3.46Å; Q44-D48 VanDerWaalsContact O-CG 3.24Å; Q44-D48 PolarHBondContact O-N 3.47Å |
| 45 | L | 93.1 | Very high | 84.8 | Confident | 72 Ų | 72 | 119.4 Ų | 119.4 | 38% | 0.377 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.8 | -46.7 | 174.7 | 179.7 | 67.5 | 0 | 0 | 0 | 111.2 | V40 T41 D42 D48 K49 | V40-L45 HydrophobicContact CG1-CB 4.25Å; T41-L45 PolarHBondContact O-N 3.48Å; D42-L45 WeakPolarHBondContact O-CB 3.3Å; D42-L45 PolarHBondContact O-N 2.89Å; L45-D48 PolarHBondContact O-N 3.06Å; L45-K49 HydrophobicContact CD1-CD 4.47Å; L45-K49 HydrophobicContact CG-CD 4.14Å; L45-K49 WeakPolarHBondContact O-CB 3.42Å; L45-K49 VanDerWaalsContact O-CG 3.24Å; L45-K49 WeakPolarHBondContact O-CG 3.48Å; L45-K49 PolarHBondContact O-N 3.47Å |
| 46 | M | 95.3 | Very high | 86.9 | Confident | 107 Ų | 107 | 114.7 Ų | 114.7 | 53% | 0.527 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.3 | -39.3 | 179 | -71.2 | -58 | -68.1 | 0 | 0 | 112.2 | D42 Q44 K49 S50 | D42-M46 WeakPolarHBondContact O-CG 3.46Å; D42-M46 PolarHBondContact O-N 3.38Å; Q44-M46 PolarHBondContact O-N 3.48Å; M46-K49 HydrophobicContact SD-CD 4.17Å; M46-S50 PolarHBondContact O-N 2.74Å; M46-S50 VanDerWaalsContact O-N 3.09Å |
| 47 | H | 95.1 | Very high | 89 | Confident | 107 Ų | 107 | 115.7 Ų | 115.7 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.4 | -48.8 | 174.4 | -176.4 | -87.5 | 0 | 0 | 0 | 111.5 | T43 Q44 K49 S50 R51 | T43-H47 WeakPolarHBondContact O-CB 3.26Å; T43-H47 PolarHBondContact O-N 3.13Å; Q44-H47 PolarHBondContact O-N 3.44Å; H47-K49 VanDerWaalsContact C-N 3.35Å; H47-K49 PolarHBondContact O-N 3.31Å; H47-S50 PolarHBondContact O-N 3.02Å; H47-S50 PolarHBondContact O-OG 2.85Å; H47-R51 PolarHBondContact O-N 2.73Å |
| 48 | D | 95.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 112.9 Ų | 112.9 | 31% | 0.31 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | -179.2 | -68 | -21.8 | 0 | 0 | 0 | 111.8 | Q44 L45 R51 M52 | Q44-D48 PolarHBondContact NE2-OD1 3.36Å; Q44-D48 PolarHBondContact NE2-OD2 3.36Å; Q44-D48 WeakPolarHBondContact O-CB 3.46Å; Q44-D48 VanDerWaalsContact O-CG 3.24Å; Q44-D48 PolarHBondContact O-N 3.47Å; L45-D48 PolarHBondContact O-N 3.06Å; D48-R51 PolarHBondContact O-N 3.06Å; D48-M52 WeakPolarHBondContact O-CB 3.24Å; D48-M52 VanDerWaalsContact O-CG 3.3Å; D48-M52 WeakPolarHBondContact O-CG 3.38Å; D48-M52 PolarHBondContact O-N 2.99Å |
| 49 | K | 95.6 | Very high | 92.5 | Very high | 106 Ų | 106 | 110.9 Ų | 110.9 | 46% | 0.461 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 172.9 | -78.2 | 173.5 | 176.5 | 175.5 | 0 | 112.2 | L45 M46 H47 R51 M52 L53 | L45-K49 HydrophobicContact CD1-CD 4.47Å; L45-K49 HydrophobicContact CG-CD 4.14Å; L45-K49 WeakPolarHBondContact O-CB 3.42Å; L45-K49 VanDerWaalsContact O-CG 3.24Å; L45-K49 WeakPolarHBondContact O-CG 3.48Å; L45-K49 PolarHBondContact O-N 3.47Å; M46-K49 HydrophobicContact SD-CD 4.17Å; H47-K49 VanDerWaalsContact C-N 3.35Å; H47-K49 PolarHBondContact O-N 3.31Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.37Å; K49-M52 PolarHBondContact O-N 3.04Å; K49-L53 PolarHBondContact O-N 3.01Å |
| 50 | S | 94.6 | Very high | 93.7 | Very high | 69 Ų | 69 | 110.3 Ų | 110.3 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 178.7 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | M46 H47 L53 Q54 | M46-S50 PolarHBondContact O-N 2.74Å; M46-S50 VanDerWaalsContact O-N 3.09Å; H47-S50 PolarHBondContact O-N 3.02Å; H47-S50 PolarHBondContact O-OG 2.85Å; S50-L53 PolarHBondContact O-N 3.42Å; S50-Q54 WeakPolarHBondContact O-CB 3.46Å; S50-Q54 PolarHBondContact O-N 2.95Å |
| 51 | R | 96.8 | Very high | 94.8 | Very high | 151 Ų | 151 | 112.5 Ų | 112.5 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -45.4 | 177.9 | -163.2 | 178.6 | -163.2 | -156.3 | 2.1 | 111.7 | H47 D48 K49 L53 Q54 D55 | H47-R51 PolarHBondContact O-N 2.73Å; D48-R51 PolarHBondContact O-N 3.06Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.37Å; R51-L53 PolarHBondContact O-N 3.24Å; R51-Q54 PolarHBondContact O-N 3.24Å; R51-D55 WeakPolarHBondContact O-CB 3.33Å; R51-D55 PolarHBondContact O-N 2.7Å |
| 52 | M | 96.3 | Very high | 95.4 | Very high | 126 Ų | 126 | 111.6 Ų | 111.6 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 177.9 | -74 | -163.7 | -55.7 | 0 | 0 | 112.2 | D48 K49 D55 F56 | D48-M52 WeakPolarHBondContact O-CB 3.24Å; D48-M52 VanDerWaalsContact O-CG 3.3Å; D48-M52 WeakPolarHBondContact O-CG 3.38Å; D48-M52 PolarHBondContact O-N 2.99Å; K49-M52 PolarHBondContact O-N 3.04Å; M52-D55 PolarHBondContact O-N 3.33Å; M52-F56 WeakPolarHBondContact O-CB 3.29Å; M52-F56 PolarHBondContact O-N 3.39Å |
| 53 | L | 96.9 | Very high | 95.8 | Very high | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -40.3 | 179.3 | -170.3 | 66.4 | 0 | 0 | 0 | 111.8 | K49 S50 R51 F56 R57 | K49-L53 PolarHBondContact O-N 3.01Å; S50-L53 PolarHBondContact O-N 3.42Å; R51-L53 PolarHBondContact O-N 3.24Å; L53-F56 PolarHBondContact O-N 3.4Å; L53-R57 PolarHBondContact O-N 2.89Å |
| 54 | Q | 96.9 | Very high | 96.1 | Very high | 137 Ų | 137 | 108.7 Ų | 108.7 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | 174.2 | -174 | -179.9 | 17.4 | 0 | 0 | 111.4 | S50 R51 F56 R57 R58 | S50-Q54 WeakPolarHBondContact O-CB 3.46Å; S50-Q54 PolarHBondContact O-N 2.95Å; R51-Q54 PolarHBondContact O-N 3.24Å; Q54-F56 VanDerWaalsContact C-N 3.33Å; Q54-F56 PolarHBondContact O-N 3.26Å; Q54-R57 PolarHBondContact O-N 3.44Å; Q54-R58 WeakPolarHBondContact O-CB 3.25Å; Q54-R58 PolarHBondContact O-N 3.31Å |
| 55 | D | 97.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 108.2 Ų | 108.2 | 32% | 0.321 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 177.9 | -80.4 | -29.3 | 0 | 0 | 0 | 111.9 | R51 M52 R58 R59 | R51-D55 WeakPolarHBondContact O-CB 3.33Å; R51-D55 PolarHBondContact O-N 2.7Å; M52-D55 PolarHBondContact O-N 3.33Å; D55-R58 PolarHBondContact O-N 3.09Å; D55-R59 VanDerWaalsContact O-CG 3.25Å; D55-R59 WeakPolarHBondContact O-CG 3.31Å; D55-R59 PolarHBondContact O-N 2.87Å |
| 56 | F | 97.8 | Very high | 96.2 | Very high | 121 Ų | 121 | 109.6 Ų | 109.6 | 53% | 0.531 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 174.8 | 178.8 | -102.5 | 0 | 0 | 0 | 111.6 | M52 L53 Q54 R58 R59 M60 | M52-F56 WeakPolarHBondContact O-CB 3.29Å; M52-F56 PolarHBondContact O-N 3.39Å; L53-F56 PolarHBondContact O-N 3.4Å; Q54-F56 VanDerWaalsContact C-N 3.33Å; Q54-F56 PolarHBondContact O-N 3.26Å; F56-R58 VanDerWaalsContact C-N 3.31Å; F56-R58 PolarHBondContact O-N 3.46Å; F56-R59 PolarHBondContact O-N 3.35Å; F56-R59 VanDerWaalsContact O-N 3.13Å; F56-M60 HydrophobicContact CD1-CG 4.33Å; F56-M60 HydrophobicContact CE1-CG 3.84Å; F56-M60 HydrophobicContact CE2-CG 4.06Å; F56-M60 HydrophobicContact CE2-SD 4.31Å; F56-M60 HydrophobicContact CZ-CG 3.69Å; F56-M60 HydrophobicContact CZ-SD 4.05Å; F56-M60 PolarHBondContact O-N 2.86Å |
| 57 | R | 96.9 | Very high | 96.1 | Very high | 183 Ų | 183 | 109.4 Ų | 109.4 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -42.9 | 176.7 | -173 | -176.8 | -64.2 | -100.9 | 1 | 111.6 | L53 Q54 R59 M60 F61 | L53-R57 PolarHBondContact O-N 2.89Å; Q54-R57 PolarHBondContact O-N 3.44Å; R57-R59 VanDerWaalsContact C-N 3.33Å; R57-R59 PolarHBondContact O-N 2.89Å; R57-M60 PolarHBondContact O-N 3.05Å; R57-F61 WeakPolarHBondContact O-CB 3.23Å; R57-F61 PolarHBondContact O-N 2.91Å |
| 58 | R | 97.8 | Very high | 95.7 | Very high | 147 Ų | 147 | 107.1 Ų | 107.1 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.2 | -42.7 | 175.8 | 177.5 | 176.8 | 165.6 | -87.6 | -6.5 | 111.6 | Q54 D55 F56 L62 | Q54-R58 WeakPolarHBondContact O-CB 3.25Å; Q54-R58 PolarHBondContact O-N 3.31Å; D55-R58 PolarHBondContact O-N 3.09Å; F56-R58 VanDerWaalsContact C-N 3.31Å; F56-R58 PolarHBondContact O-N 3.46Å; R58-L62 HydrophobicContact CG-CD1 3.98Å; R58-L62 WeakPolarHBondContact O-CB 3.48Å; R58-L62 VanDerWaalsContact O-CG 3.29Å; R58-L62 WeakPolarHBondContact O-CG 3.32Å; R58-L62 PolarHBondContact O-N 3.21Å |
| 59 | R | 97.8 | Very high | 95.4 | Very high | 169 Ų | 169 | 107.9 Ų | 107.9 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -45.8 | 178.1 | -72.5 | 170.4 | -169.9 | -136.5 | 4.2 | 111.9 | D55 F56 R57 F61 L62 Q63 | D55-R59 VanDerWaalsContact O-CG 3.25Å; D55-R59 WeakPolarHBondContact O-CG 3.31Å; D55-R59 PolarHBondContact O-N 2.87Å; F56-R59 PolarHBondContact O-N 3.35Å; F56-R59 VanDerWaalsContact O-N 3.13Å; R57-R59 VanDerWaalsContact C-N 3.33Å; R57-R59 PolarHBondContact O-N 2.89Å; R59-F61 VanDerWaalsContact C-N 3.35Å; R59-F61 PolarHBondContact O-N 3.17Å; R59-L62 PolarHBondContact O-N 2.98Å; R59-Q63 VanDerWaalsContact O-CB 3.26Å; R59-Q63 WeakPolarHBondContact O-CB 3.27Å; R59-Q63 PolarHBondContact O-N 3.37Å |
| 60 | M | 96.9 | Very high | 94.9 | Very high | 100 Ų | 100 | 108.2 Ų | 108.2 | 49% | 0.493 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 177.3 | -70 | -63.3 | -77.3 | 0 | 0 | 111.8 | F56 R57 Q63 G64 | F56-M60 HydrophobicContact CD1-CG 4.33Å; F56-M60 HydrophobicContact CE1-CG 3.84Å; F56-M60 HydrophobicContact CE2-CG 4.06Å; F56-M60 HydrophobicContact CE2-SD 4.31Å; F56-M60 HydrophobicContact CZ-CG 3.69Å; F56-M60 HydrophobicContact CZ-SD 4.05Å; F56-M60 PolarHBondContact O-N 2.86Å; R57-M60 PolarHBondContact O-N 3.05Å; M60-Q63 PolarHBondContact O-N 3.2Å; M60-G64 PolarHBondContact O-N 2.94Å |
| 61 | F | 97.2 | Very high | 93.8 | Very high | 135 Ų | 135 | 108.8 Ų | 108.8 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -48.9 | 176.4 | 175.6 | -106.5 | 0 | 0 | 0 | 112.1 | R57 R59 Q63 G64 I65 | R57-F61 WeakPolarHBondContact O-CB 3.23Å; R57-F61 PolarHBondContact O-N 2.91Å; R59-F61 VanDerWaalsContact C-N 3.35Å; R59-F61 PolarHBondContact O-N 3.17Å; F61-Q63 VanDerWaalsContact C-N 3.28Å; F61-Q63 PolarHBondContact O-N 3.37Å; F61-G64 PolarHBondContact O-N 3.25Å; F61-I65 HydrophobicContact CD1-CD1 3.96Å; F61-I65 HydrophobicContact CD2-CD1 4.46Å; F61-I65 HydrophobicContact CE1-CD1 3.3Å; F61-I65 HydrophobicContact CE1-CG1 4.42Å; F61-I65 HydrophobicContact CE2-CD1 3.88Å; F61-I65 HydrophobicContact CE2-CG1 4.4Å; F61-I65 HydrophobicContact CZ-CD1 3.28Å; F61-I65 HydrophobicContact CZ-CG1 4.25Å; F61-I65 PolarHBondContact O-N 3.29Å |
| 62 | L | 97.1 | Very high | 92 | Very high | 71 Ų | 71 | 105 Ų | 105 | 37% | 0.372 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 176.9 | -74.4 | 172.3 | 0 | 0 | 0 | 111.6 | R58 R59 I65 L66 | R58-L62 HydrophobicContact CG-CD1 3.98Å; R58-L62 WeakPolarHBondContact O-CB 3.48Å; R58-L62 VanDerWaalsContact O-CG 3.29Å; R58-L62 WeakPolarHBondContact O-CG 3.32Å; R58-L62 PolarHBondContact O-N 3.21Å; R59-L62 PolarHBondContact O-N 2.98Å; L62-I65 PolarHBondContact O-N 3.48Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.35Å |
| 63 | Q | 95.9 | Very high | 90.2 | Very high | 125 Ų | 125 | 106.5 Ų | 106.5 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -44.2 | 175.3 | -175.1 | 174.4 | 19.4 | 0 | 0 | 111.1 | R59 M60 F61 I65 L66 D67 | R59-Q63 VanDerWaalsContact O-CB 3.26Å; R59-Q63 WeakPolarHBondContact O-CB 3.27Å; R59-Q63 PolarHBondContact O-N 3.37Å; M60-Q63 PolarHBondContact O-N 3.2Å; F61-Q63 VanDerWaalsContact C-N 3.28Å; F61-Q63 PolarHBondContact O-N 3.37Å; Q63-I65 VanDerWaalsContact C-N 3.32Å; Q63-I65 PolarHBondContact O-N 3.39Å; Q63-L66 PolarHBondContact O-N 3.3Å; Q63-D67 WeakPolarHBondContact O-CB 3.28Å; Q63-D67 PolarHBondContact O-N 3.15Å |
| 64 | G | 94.7 | Very high | 88.1 | Confident | 42 Ų | 42 | 107.4 Ų | 107.4 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M60 F61 A68 | M60-G64 PolarHBondContact O-N 2.94Å; F61-G64 PolarHBondContact O-N 3.25Å; G64-A68 VanDerWaalsContact O-CB 3.32Å; G64-A68 WeakPolarHBondContact O-CB 3.43Å; G64-A68 PolarHBondContact O-N 3.15Å |
| 65 | I | 94.5 | Very high | 86.2 | Confident | 75 Ų | 75 | 108.5 Ų | 108.5 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -46.8 | 174.3 | -68.1 | 177.5 | 0 | 0 | 0 | 111.2 | F61 L62 Q63 D67 A68 V69 | F61-I65 HydrophobicContact CD1-CD1 3.96Å; F61-I65 HydrophobicContact CD2-CD1 4.46Å; F61-I65 HydrophobicContact CE1-CD1 3.3Å; F61-I65 HydrophobicContact CE1-CG1 4.42Å; F61-I65 HydrophobicContact CE2-CD1 3.88Å; F61-I65 HydrophobicContact CE2-CG1 4.4Å; F61-I65 HydrophobicContact CZ-CD1 3.28Å; F61-I65 HydrophobicContact CZ-CG1 4.25Å; F61-I65 PolarHBondContact O-N 3.29Å; L62-I65 PolarHBondContact O-N 3.48Å; Q63-I65 VanDerWaalsContact C-N 3.32Å; Q63-I65 PolarHBondContact O-N 3.39Å; I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 3.41Å; I65-A68 PolarHBondContact O-N 2.99Å; I65-V69 HydrophobicContact CG2-CG2 4.29Å; I65-V69 WeakPolarHBondContact O-CG2 3.21Å; I65-V69 PolarHBondContact O-N 2.89Å |
| 66 | L | 93.6 | Very high | 83.9 | Confident | 100 Ų | 100 | 110.5 Ų | 110.5 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -43.6 | -179.7 | -123.3 | 71.2 | 0 | 0 | 0 | 110.6 | L62 Q63 V69 H70 | L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.35Å; Q63-L66 PolarHBondContact O-N 3.3Å; L66-V69 PolarHBondContact O-N 2.81Å; L66-H70 VanDerWaalsContact O-CB 3.27Å; L66-H70 WeakPolarHBondContact O-CB 3.18Å; L66-H70 PolarHBondContact O-CD2 2.9Å; L66-H70 PolarHBondContact O-N 3.24Å |
| 67 | D | 92.5 | Very high | 81.5 | Confident | 103 Ų | 103 | 110.6 Ų | 110.6 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.9 | -44.7 | 177 | -173.6 | 61.5 | 0 | 0 | 0 | 111.4 | Q63 I65 V69 H70 T71 | Q63-D67 WeakPolarHBondContact O-CB 3.28Å; Q63-D67 PolarHBondContact O-N 3.15Å; I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 3.41Å; D67-V69 PolarHBondContact O-N 2.78Å; D67-H70 PolarHBondContact O-N 3.41Å; D67-T71 VanDerWaalsContact O-CB 3.23Å; D67-T71 WeakPolarHBondContact O-CB 3.33Å; D67-T71 PolarHBondContact O-N 3.01Å; D67-T71 PolarHBondContact O-OG1 2.9Å |
| 68 | A | 87.6 | Confident | 78.9 | Confident | 59 Ų | 59 | 113.7 Ų | 113.7 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G64 I65 A72 | G64-A68 VanDerWaalsContact O-CB 3.32Å; G64-A68 WeakPolarHBondContact O-CB 3.43Å; G64-A68 PolarHBondContact O-N 3.15Å; I65-A68 PolarHBondContact O-N 2.99Å; A68-A72 WeakPolarHBondContact O-CB 3.5Å; A68-A72 PolarHBondContact O-N 3.35Å |
| 69 | V | 89.9 | Confident | 76.3 | Confident | 75 Ų | 75 | 111.2 Ų | 111.2 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.5 | -46.9 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | I65 L66 D67 T71 A72 E73 | I65-V69 HydrophobicContact CG2-CG2 4.29Å; I65-V69 WeakPolarHBondContact O-CG2 3.21Å; I65-V69 PolarHBondContact O-N 2.89Å; L66-V69 PolarHBondContact O-N 2.81Å; D67-V69 PolarHBondContact O-N 2.78Å; V69-T71 VanDerWaalsContact C-N 3.28Å; V69-T71 PolarHBondContact O-N 2.64Å; V69-A72 PolarHBondContact O-N 2.81Å; V69-E73 PolarHBondContact O-N 3.44Å |
| 70 | H | 83.6 | Confident | 73.8 | Confident | 113 Ų | 113 | 108.2 Ų | 108.2 | 52% | 0.523 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.9 | -36.4 | 176.7 | -77.1 | -56.9 | 0 | 0 | 0 | 111.8 | L66 D67 I74 | L66-H70 VanDerWaalsContact O-CB 3.27Å; L66-H70 WeakPolarHBondContact O-CB 3.18Å; L66-H70 PolarHBondContact O-CD2 2.9Å; L66-H70 PolarHBondContact O-N 3.24Å; D67-H70 PolarHBondContact O-N 3.41Å; H70-I74 WeakPolarHBondContact O-CD1 3.17Å; H70-I74 VanDerWaalsContact O-CG1 3.27Å; H70-I74 WeakPolarHBondContact O-CG1 3.36Å |
| 71 | T | 71.1 | Confident | 71 | Confident | 81 Ų | 81 | 106.6 Ų | 106.6 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.6 | -34.4 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 112 | D67 V69 I74 | D67-T71 VanDerWaalsContact O-CB 3.23Å; D67-T71 WeakPolarHBondContact O-CB 3.33Å; D67-T71 PolarHBondContact O-N 3.01Å; D67-T71 PolarHBondContact O-OG1 2.9Å; V69-T71 VanDerWaalsContact C-N 3.28Å; V69-T71 PolarHBondContact O-N 2.64Å; T71-I74 PolarHBondContact O-N 3.36Å |
| 72 | A | 60.4 | Low | 68.4 | Low | 72 Ų | 72 | 105.3 Ų | 105.3 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.5 | -32.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A68 V69 I74 | A68-A72 WeakPolarHBondContact O-CB 3.5Å; A68-A72 PolarHBondContact O-N 3.35Å; V69-A72 PolarHBondContact O-N 2.81Å; A72-I74 VanDerWaalsContact C-N 3.27Å; A72-I74 PolarHBondContact O-N 2.82Å |
| 73 | E | 56.8 | Low | 65.8 | Low | 156 Ų | 156 | 106 Ų | 106 | 73% | 0.729 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -8.2 | 175.9 | -73.8 | -164.7 | 163.1 | 0 | 0 | 114.1 | V69 L75 | V69-E73 PolarHBondContact O-N 3.44Å; E73-L75 VanDerWaalsContact C-N 3.35Å |
| 74 | I | 54.8 | Low | 62.9 | Low | 132 Ų | 132 | 103.9 Ų | 103.9 | 68% | 0.677 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -2.3 | 179.3 | -62.3 | 163.8 | 0 | 0 | 0 | 112.6 | H70 T71 A72 P76 | H70-I74 WeakPolarHBondContact O-CD1 3.17Å; H70-I74 VanDerWaalsContact O-CG1 3.27Å; H70-I74 WeakPolarHBondContact O-CG1 3.36Å; T71-I74 PolarHBondContact O-N 3.36Å; A72-I74 VanDerWaalsContact C-N 3.27Å; A72-I74 PolarHBondContact O-N 2.82Å; I74-P76 WeakPolarHBondContact O-CD 3.28Å |
| 75 | L | 56.1 | Low | 60.4 | Low | 160 Ų | 160 | 107 Ų | 107 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | trans | -97.7 | 87.4 | 169.8 | -84 | 163 | 0 | 0 | 0 | 112.6 | E73 | E73-L75 VanDerWaalsContact C-N 3.35Š| ||
| 76 | P | 48.1 | Very low | 58 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | trans | -124.3 | 123.8 | 144.6 | 29.4 | -14.4 | 0 | 0 | 0 | 113.6 | I74 | I74-P76 WeakPolarHBondContact O-CD 3.28Š| ||
| 77 | V | 47.2 | Very low | 55.2 | Low | 123 Ų | 123 | 108.1 Ų | 108.1 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | trans | 80.1 | 70.8 | 146 | -168.5 | 0 | 0 | 0 | 0 | 118.3 | S79 | V77-S79 VanDerWaalsContact C-N 3.32Š| ||
| 78 | R | 43.4 | Very low | 52.8 | Low | 248 Ų | 248 | 108.6 Ų | 108.6 | 94% | 0.936 | 73% | 0.729 | S | S | * | * | -89.9 | 74.9 | 129.3 | -67 | -177.5 | 94.4 | -166.1 | 7.3 | 108 | A80 | R78-A80 PolarHBondContact O-N 3.31Š| |||
| 79 | S | 43.6 | Very low | 50.3 | Low | 96 Ų | 96 | 109.6 Ų | 109.6 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 106.6 | 143.4 | -83.6 | 0 | 0 | 0 | 0 | 103.8 | V77 G81 | V77-S79 VanDerWaalsContact C-N 3.32Å; S79-G81 PolarHBondContact O-N 3.49Å | ||
| 80 | A | 44.7 | Very low | 48.1 | Very low | 106 Ų | 106 | 111.4 Ų | 111.4 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | 38.9 | 39.1 | 55.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R78 | R78-A80 PolarHBondContact O-N 3.31Š| |||
| 81 | G | 37.8 | Very low | 45.9 | Very low | 66 Ų | 66 | 109.3 Ų | 109.3 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | -107.3 | 118.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | S79 | S79-G81 PolarHBondContact O-N 3.49Š| ||
| 82 | A | 42.8 | Very low | 44.6 | Very low | 107 Ų | 107 | 111.6 Ų | 111.6 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -65.7 | 153.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 83 | G | 41.8 | Very low | 43.9 | Very low | 85 Ų | 85 | 114.7 Ų | 114.7 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 92.1 | 126.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 84 | G | 36.1 | Very low | 43 | Very low | 81 Ų | 81 | 110.8 Ų | 110.8 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 143.8 | 82.9 | 159 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 85 | S | 41.8 | Very low | 42.3 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -62 | 157.8 | 159.4 | 59 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 86 | S | 43.9 | Very low | 41.4 | Very low | 120 Ų | 120 | 109.2 Ų | 109.2 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | 69 | 125.8 | 153.2 | 63.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 87 | G | 35 | Very low | 41.3 | Very low | 78 Ų | 78 | 113.2 Ų | 113.2 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | 150.5 | 102 | 154.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 88 | A | 41.5 | Very low | 41 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 93% | 0.934 | 83% | 0.833 | S | S | * | * | trans | -56.6 | 149.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 89 | G | 35.6 | Very low | 41 | Very low | 79 Ų | 79 | 105.6 Ų | 105.6 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | 168.3 | 111.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 90 | A | 43.7 | Very low | 41.3 | Very low | 113 Ų | 113 | 108.3 Ų | 108.3 | 93% | 0.934 | 84% | 0.836 | S | S | * | * | trans | -70.5 | 146.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 91 | G | 37 | Very low | 41.7 | Very low | 70 Ų | 70 | 109.2 Ų | 109.2 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | trans | 179 | 130.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 92 | P | 43.9 | Very low | 41.8 | Very low | 128 Ų | 128 | 111.3 Ų | 111.3 | 83% | 0.831 | 84% | 0.837 | S | S | * | * | trans | -83 | 163.9 | -178.6 | 34.5 | -32.6 | 0 | 0 | 0 | 112.5 | ||||
| 93 | P | 47.3 | Very low | 42 | Very low | 137 Ų | 137 | 112.5 Ų | 112.5 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | trans | -87.6 | 131.3 | -167.3 | 34.1 | -30.9 | 0 | 0 | 0 | 111.9 | ||||
| 94 | G | 36.2 | Very low | 42.2 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | trans | -130.7 | 134.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 95 | L | 40.6 | Very low | 42.3 | Very low | 183 Ų | 183 | 114.6 Ų | 114.6 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | trans | -54.1 | 149.7 | -175.2 | -66.7 | 93 | 0 | 0 | 0 | 114.4 | ||||
| 96 | G | 37.7 | Very low | 42.7 | Very low | 77 Ų | 77 | 115.4 Ų | 115.4 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -169.4 | 89 | 168 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 97 | L | 46.3 | Very low | 42.6 | Very low | 184 Ų | 184 | 115.8 Ų | 115.8 | 96% | 0.963 | 83% | 0.831 | S | S | * | * | trans | -62.4 | 137 | 171.2 | -129.4 | 71.3 | 0 | 0 | 0 | 111 | ||||
| 98 | G | 40.9 | Very low | 43.3 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | 98.6 | 102.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 99 | V | 42.8 | Very low | 43.5 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -141.3 | 103.4 | 148 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 100 | N | 50.7 | Low | 43.9 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -68.1 | 145.4 | 158.4 | -65.7 | -50.6 | 0 | 0 | 0 | 108.7 | ||||
| 101 | P | 52.2 | Low | 44.1 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -107.2 | 113.8 | 148.4 | 30.1 | -21.4 | 0 | 0 | 0 | 109.8 | ||||
| 102 | S | 39.3 | Very low | 44.8 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -48.6 | 139.4 | 170.7 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | T104 | S102-T104 PolarHBondContact O-N 2.8Š| ||
| 103 | T | 47.9 | Very low | 45.1 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -20.1 | 122.4 | 144.8 | -54.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 104 | T | 45.8 | Very low | 44.9 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | 159.8 | 121.6 | 123.8 | -57.2 | 0 | 0 | 0 | 0 | 108.1 | S102 | S102-T104 PolarHBondContact O-N 2.8Š| |||
| 105 | G | 38.6 | Very low | 45.7 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 167.8 | 86 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 106 | S | 49.7 | Very low | 45.9 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -45.3 | 129.2 | 164.7 | 165.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 107 | T | 41.5 | Very low | 47 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -157.9 | 137.5 | 146.1 | -170 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 108 | L | 49.3 | Very low | 47.3 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -58.4 | 125.1 | 179.7 | -62.2 | 157.9 | 0 | 0 | 0 | 110.9 | ||||
| 109 | Q | 45.8 | Very low | 48.2 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -147.2 | 127.2 | 154.1 | -93.4 | -60.3 | -15.8 | 0 | 0 | 110.9 | ||||
| 110 | S | 43.9 | Very low | 48.6 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 147.1 | -172.3 | 54.1 | 0 | 0 | 0 | 0 | 115.6 | P112 | S110-P112 WeakPolarHBondContact O-CD 3.42Š|
| 111 | K | 48 | Very low | 48.7 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.7 | 157.8 | -78.6 | 167.1 | 174.9 | 171 | 0 | 108.6 | ||
| 112 | P | 52.1 | Low | 48.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 135.2 | 157.9 | 28.7 | -28.7 | 0 | 0 | 0 | 109.3 | S110 | S110-P112 WeakPolarHBondContact O-CD 3.42Š|
| 113 | P | 49.5 | Very low | 48.3 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 152.2 | 178.5 | 33.9 | -32.8 | 0 | 0 | 0 | 110.2 | ||
| 114 | G | 43.5 | Very low | 47.9 | Very low | 63 Ų | 63 | 138.5 Ų | 138.5 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | 102 | 94.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T116 | G114-T116 PolarHBondContact O-N 2.86Å; G114-T116 VanDerWaalsContact O-N 3.09Å | ||
| 115 | G | 53.7 | Low | 47.7 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 95.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | K117 | G115-K117 PolarHBondContact O-N 3.25Š| ||
| 116 | T | 45.6 | Very low | 47.8 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -90 | 93.7 | 172.1 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | G114 N118 | G114-T116 PolarHBondContact O-N 2.86Å; G114-T116 VanDerWaalsContact O-N 3.09Å; T116-N118 VanDerWaalsContact C-N 3.29Å; T116-N118 PolarHBondContact O-N 3.4Å | ||
| 117 | K | 60.1 | Low | 47.6 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -75.6 | 82.7 | 165.3 | -67.9 | -178.9 | 179.3 | 179.3 | 0 | 108.9 | G115 | G115-K117 PolarHBondContact O-N 3.25Š| ||
| 118 | N | 53 | Low | 47.8 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -130.4 | 92.2 | 167.7 | -66.8 | -51.8 | 0 | 0 | 0 | 108.8 | T116 | T116-N118 VanDerWaalsContact C-N 3.29Å; T116-N118 PolarHBondContact O-N 3.4Å | ||
| 119 | L | 58.3 | Low | 47.7 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -95.7 | 132.1 | 155.5 | -127.6 | 79.9 | 0 | 0 | 0 | 106.9 | V121 | L119-V121 PolarHBondContact O-N 2.86Š| ||
| 120 | P | 52.5 | Low | 47.3 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | -65.8 | 121.5 | 176.1 | 24.9 | -30.9 | 0 | 0 | 0 | 110.2 | M122 | P120-M122 PolarHBondContact O-N 3.44Å; P120-M122 VanDerWaalsContact O-N 3.1Å | ||
| 121 | V | 52.8 | Low | 47.2 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 97.4 | 169.8 | 173.4 | 0 | 0 | 0 | 0 | 107.6 | L119 | L119-V121 PolarHBondContact O-N 2.86Š| ||
| 122 | M | 46.3 | Very low | 47.2 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -109.4 | 81.1 | 165.5 | -80.6 | -69.5 | -55.1 | 0 | 0 | 108.2 | P120 | P120-M122 PolarHBondContact O-N 3.44Å; P120-M122 VanDerWaalsContact O-N 3.1Å | ||
| 123 | F | 36.9 | Very low | 46.5 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -155.4 | 65.5 | 152.7 | -135.2 | -92.5 | 0 | 0 | 0 | 108.2 | A125 | F123-A125 VanDerWaalsContact C-N 3.31Å; F123-A125 HydrophobicContact CD1-CB 4.37Å; F123-A125 HydrophobicContact CE1-CB 4.39Å; F123-A125 PolarHBondContact O-N 2.91Å | ||
| 124 | Q | 39.3 | Very low | 46.6 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -70.9 | 98.6 | 149.7 | -81.6 | -177.2 | -18 | 0 | 0 | 105.8 | ||||
| 125 | A | 40.7 | Very low | 46.9 | Very low | 72 Ų | 72 | 148.6 Ų | 148.6 | 60% | 0.595 | 80% | 0.801 | S | S | * | * | trans | -82.1 | 116 | 149.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | F123 E127 | F123-A125 VanDerWaalsContact C-N 3.31Å; F123-A125 HydrophobicContact CD1-CB 4.37Å; F123-A125 HydrophobicContact CE1-CB 4.39Å; F123-A125 PolarHBondContact O-N 2.91Å; A125-E127 VanDerWaalsContact C-N 3.32Å; A125-E127 PolarHBondContact O-N 2.87Å | ||
| 126 | E | 41.8 | Very low | 47.1 | Very low | 182 Ų | 182 | 152.4 Ų | 152.4 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -56.6 | 94.1 | 169.9 | -61.9 | 170.6 | 164.9 | 0 | 0 | 108.4 | E128 | E126-E128 VanDerWaalsContact C-N 3.33Š| ||
| 127 | E | 45.2 | Very low | 47.4 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -97.2 | 75.4 | 150 | -85.8 | -178.5 | 170.2 | 0 | 0 | 105.7 | A125 | A125-E127 VanDerWaalsContact C-N 3.32Å; A125-E127 PolarHBondContact O-N 2.87Å | ||
| 128 | E | 45.3 | Very low | 46.9 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -80.1 | 120.4 | 160.6 | -174.1 | 159 | -156.3 | 0 | 0 | 107.6 | E126 | E126-E128 VanDerWaalsContact C-N 3.33Š| ||
| 129 | E | 46.8 | Very low | 46.5 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 69.9 | 95.4 | 147.1 | -159.1 | 175.3 | -146.9 | 0 | 0 | 117.3 | ||||
| 130 | E | 38.7 | Very low | 45.8 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | -168.7 | 122.6 | 116.5 | -155.5 | 152.1 | -177.3 | 0 | 0 | 111.8 | |||||
| 131 | G | 40.6 | Very low | 45.2 | Very low | 66 Ų | 66 | 150.5 Ų | 150.5 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 90.4 | 66.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | H133 | G131-H133 PolarHBondContact O-N 3.45Å; G131-H133 VanDerWaalsContact O-N 3.15Å | ||
| 132 | T | 49.4 | Very low | 44.2 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -32.8 | 115.8 | 137.4 | 24.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 133 | H | 37.5 | Very low | 43.6 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -174.7 | 88.1 | 142.9 | -86.7 | -62.6 | 0 | 0 | 0 | 109.2 | G131 P135 | G131-H133 PolarHBondContact O-N 3.45Å; G131-H133 VanDerWaalsContact O-N 3.15Å; H133-P135 WeakPolarHBondContact O-CD 3.23Å | ||
| 134 | L | 50.6 | Low | 43.3 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -60 | 140.2 | 147.1 | -78.4 | 151 | 0 | 0 | 0 | 107.8 | ||||
| 135 | P | 50.9 | Low | 43.6 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | trans | -121.3 | 104.3 | 135.1 | 35.3 | -27.4 | 0 | 0 | 0 | 108.6 | H133 E137 | H133-P135 WeakPolarHBondContact O-CD 3.23Å; P135-E137 HydrophobicContact CB-CG 3.8Å; P135-E137 HydrophobicContact CG-CG 4.39Å; P135-E137 PolarHBondContact O-N 3.32Å; P135-E137 VanDerWaalsContact O-N 3.13Å | ||
| 136 | Q | 56.9 | Low | 43.7 | Very low | 165 Ų | 165 | 158.6 Ų | 158.6 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | trans | -62 | 98.6 | 153.7 | -179.6 | -178.8 | 4.9 | 0 | 0 | 107.5 | ||||
| 137 | E | 51.5 | Low | 43.8 | Very low | 158 Ų | 158 | 155.5 Ų | 155.5 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -102.8 | 88.2 | -179.9 | -63.6 | -111.9 | 137.2 | 0 | 0 | 110.1 | P135 | P135-E137 HydrophobicContact CB-CG 3.8Å; P135-E137 HydrophobicContact CG-CG 4.39Å; P135-E137 PolarHBondContact O-N 3.32Å; P135-E137 VanDerWaalsContact O-N 3.13Å | ||
| 138 | T | 49.9 | Very low | 44 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -82.9 | 113.5 | 161.9 | 55.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 139 | N | 43.9 | Very low | 44 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -142.6 | 103.2 | 158.6 | -84 | -54.8 | 0 | 0 | 0 | 110.7 | ||||
| 140 | K | 45 | Very low | 44.4 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -85.2 | 125.3 | 156.4 | -78 | 173.2 | 178.6 | 168.9 | 0 | 107.4 | Y142 | K140-Y142 PolarHBondContact O-OH 2.69Š| ||
| 141 | S | 39.7 | Very low | 45.1 | Very low | 89 Ų | 89 | 155 Ų | 155 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | -162.8 | 96.2 | 162.5 | 162.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 142 | Y | 30.9 | Very low | 45.6 | Very low | 194 Ų | 194 | 163.2 Ų | 163.2 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | 30.9 | 132.7 | 137.9 | -9 | -81.1 | 0 | 0 | 0 | 118.6 | K140 | K140-Y142 PolarHBondContact O-OH 2.69Š| ||
| 143 | K | 35.1 | Very low | 45.9 | Very low | 203 Ų | 203 | 166.5 Ų | 166.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | cis | -151.3 | 148.5 | 18.3 | -73.7 | 175.7 | 175.6 | 170.9 | 0 | 105.4 | ||||
| 144 | E | 30.4 | Very low | 46.5 | Very low | 192 Ų | 192 | 160.9 Ų | 160.9 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | -171 | 143.2 | 88.1 | -173.5 | 166.1 | -175.6 | 0 | 0 | 109.8 | |||||
| 145 | K | 44.9 | Very low | 46.7 | Very low | 191 Ų | 191 | 162.6 Ų | 162.6 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 154.7 | -171.7 | -62 | 171.5 | 176.6 | 175.6 | 0 | 110.9 | ||||
| 146 | V | 42.3 | Very low | 46.7 | Very low | 140 Ų | 140 | 164.3 Ų | 164.3 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | 165.8 | 141.6 | 137.9 | 155.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 147 | P | 44 | Very low | 46.8 | Very low | 116 Ų | 116 | 159.7 Ų | 159.7 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | -107.4 | 160.3 | -99.1 | 17.6 | 6.8 | 0 | 0 | 0 | 112.7 | |||||
| 148 | G | 50.3 | Low | 46.9 | Very low | 78 Ų | 78 | 163.3 Ų | 163.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -59.2 | 144.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 149 | K | 44.7 | Very low | 47.2 | Very low | 208 Ų | 208 | 169.7 Ų | 169.7 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -111.4 | 96.8 | 153.3 | -76.3 | -173.7 | 178.1 | 176.8 | 0 | 108.8 | K151 | K149-K151 PolarHBondContact O-N 3.43Š| ||
| 150 | R | 55.4 | Low | 48 | Very low | 248 Ų | 248 | 171.4 Ų | 171.4 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | -53.3 | 124.7 | 161.4 | -86.6 | 177.1 | 166.7 | 178 | -4.2 | 109.2 | R152 | R150-R152 PolarHBondContact O-N 3.2Š| ||
| 151 | K | 52.9 | Low | 48.4 | Very low | 188 Ų | 188 | 167.1 Ų | 167.1 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | 4.9 | 98.2 | 150.8 | -163.3 | 173.1 | -172.3 | 173.1 | 0 | 115.5 | K149 | K149-K151 PolarHBondContact O-N 3.43Š| ||
| 152 | R | 50.5 | Low | 49.3 | Very low | 238 Ų | 238 | 166 Ų | 166 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -87.4 | 101.1 | 153.9 | -161.9 | -178.9 | -173.9 | -160.9 | 4.2 | 108 | R150 G154 | R150-R152 PolarHBondContact O-N 3.2Å; R152-G154 VanDerWaalsContact C-N 3.31Å; R152-G154 PolarHBondContact O-N 2.91Å | ||
| 153 | K | 56.6 | Low | 50.3 | Low | 198 Ų | 198 | 161.9 Ų | 161.9 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 93.8 | 165.4 | -165.4 | 172.1 | -177.7 | -178.7 | 0 | 106.7 | ||||
| 154 | G | 49.4 | Very low | 51.3 | Low | 60 Ų | 60 | 159.9 Ų | 159.9 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | trans | -120.7 | 83.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113 | R152 | R152-G154 VanDerWaalsContact C-N 3.31Å; R152-G154 PolarHBondContact O-N 2.91Å | ||
| 155 | K | 56.1 | Low | 52.5 | Low | 201 Ų | 201 | 159 Ų | 159 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 47.9 | 86.7 | 150.7 | -132.6 | 163.3 | -176.3 | 173.9 | 0 | 117.2 | G157 | K155-G157 PolarHBondContact O-N 3.28Š| ||
| 156 | S | 50.3 | Low | 53.1 | Low | 132 Ų | 132 | 157.4 Ų | 157.4 | 92% | 0.923 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -58.8 | 100.9 | 154.7 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 157 | G | 59.4 | Low | 53.7 | Low | 68 Ų | 68 | 159.1 Ų | 159.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -175.2 | -4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | K155 | K155-G157 PolarHBondContact O-N 3.28Š| ||
| 158 | R | 52.9 | Low | 54.3 | Low | 234 Ų | 234 | 158.2 Ų | 158.2 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -102.9 | 10.1 | -173.7 | -123.8 | -171.3 | -170.1 | -131.7 | 4.2 | 116 | ||
| 159 | R | 56.5 | Low | 54.1 | Low | 243 Ų | 243 | 159.9 Ų | 159.9 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -101.3 | -7.8 | -176.5 | -124.6 | 178.6 | -177.6 | -179.1 | 0.3 | 115.3 | ||
| 160 | K | 60 | Low | 54.4 | Low | 184 Ų | 184 | 160.4 Ų | 160.4 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -96 | -11.8 | -179.7 | -94.5 | -174.6 | 174.1 | -179.1 | 0 | 115.5 | ||
| 161 | E | 54.1 | Low | 54.1 | Low | 104 Ų | 104 | 152.7 Ų | 152.7 | 49% | 0.486 | 73% | 0.731 | S | S | . | * | H | α-helix | trans | -84.6 | -36.1 | -174.1 | -152.9 | -158 | 153.5 | 0 | 0 | 113.4 | E163 K164 R165 | E161-E163 PolarHBondContact O-N 3.09Å; E161-K164 PolarHBondContact O-N 3.11Å; E161-R165 PolarHBondContact O-N 3.31Å; E161-R165 IonicContact OE1-CZ 3.32Å; E161-R165 IonicContact OE1-NE 3.06Å; E161-R165 PolarHBondContact OE1-NE 2.91Å; E161-R165 IonicContact OE1-NH2 2.73Å; E161-R165 PolarHBondContact OE1-NH2 3.44Å |
| 162 | A | 58 | Low | 53.9 | Low | 67 Ų | 67 | 149.8 Ų | 149.8 | 55% | 0.554 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -66 | -23.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 163 | E | 53.1 | Low | 53.9 | Low | 107 Ų | 107 | 149.4 Ų | 149.4 | 50% | 0.5 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -81.8 | -32.8 | 177.7 | -160.3 | -175.4 | 161.5 | 0 | 0 | 112.3 | E161 K166 R167 | E161-E163 PolarHBondContact O-N 3.09Å; E163-K166 PolarHBondContact O-N 3.33Å; E163-R167 IonicContact OE1-CZ 3.61Å; E163-R167 IonicContact OE1-NE 3.8Å; E163-R167 IonicContact OE1-NH2 2.7Å; E163-R167 PolarHBondContact OE1-NH2 3.09Å |
| 164 | K | 54.6 | Low | 53 | Low | 161 Ų | 161 | 151.4 Ų | 151.4 | 70% | 0.7 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -69.5 | -39.7 | 178.3 | -165.2 | 175.3 | -178.5 | -175.8 | 0 | 111.6 | E161 K166 R167 | E161-K164 PolarHBondContact O-N 3.11Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 2.82Å; K164-R167 PolarHBondContact O-N 2.97Å |
| 165 | R | 56.1 | Low | 52.2 | Low | 173 Ų | 173 | 160 Ų | 160 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -65.7 | -26 | 178.4 | -66.3 | -177 | -177.8 | -132.8 | 2.9 | 113.5 | E161 | E161-R165 PolarHBondContact O-N 3.31Å; E161-R165 IonicContact OE1-CZ 3.32Å; E161-R165 IonicContact OE1-NE 3.06Å; E161-R165 PolarHBondContact OE1-NE 2.91Å; E161-R165 IonicContact OE1-NH2 2.73Å; E161-R165 PolarHBondContact OE1-NH2 3.44Å |
| 166 | K | 57.2 | Low | 51.4 | Low | 158 Ų | 158 | 156.4 Ų | 156.4 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -81.9 | -16.9 | 177.2 | -69.1 | -176.6 | -179.7 | -172 | 0 | 113.8 | E163 K164 | E163-K166 PolarHBondContact O-N 3.33Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 2.82Å |
| 167 | R | 55.6 | Low | 50.7 | Low | 176 Ų | 176 | 153.3 Ų | 153.3 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -85.4 | -26.3 | 178.2 | -67.3 | -177.3 | -170.9 | -157.8 | 3.3 | 113 | E163 K164 | E163-R167 IonicContact OE1-CZ 3.61Å; E163-R167 IonicContact OE1-NE 3.8Å; E163-R167 IonicContact OE1-NH2 2.7Å; E163-R167 PolarHBondContact OE1-NH2 3.09Å; K164-R167 PolarHBondContact O-N 2.97Å |
| 168 | T | 55.9 | Low | 49.5 | Very low | 97 Ų | 97 | 159.5 Ų | 159.5 | 60% | 0.595 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -74 | -27.6 | 179.5 | -49.5 | 0 | 0 | 0 | 0 | 113.6 | R170 | T168-R170 VanDerWaalsContact C-N 3.3Å; T168-R170 PolarHBondContact O-N 3.43Å |
| 169 | V | 47.8 | Very low | 48.8 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -21.4 | -176.8 | -176.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 170 | R | 50.3 | Low | 47.8 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -7.5 | -177.6 | -67.6 | -177.9 | -176.8 | 157.7 | -0.5 | 114.5 | T168 | T168-R170 VanDerWaalsContact C-N 3.3Å; T168-R170 PolarHBondContact O-N 3.43Å |
| 171 | A | 48.8 | Very low | 46.6 | Very low | 85 Ų | 85 | 145.4 Ų | 145.4 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -91.2 | -8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 172 | V | 49.8 | Very low | 45.8 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -93 | -11.7 | -180 | -178.5 | 0 | 0 | 0 | 0 | 112.7 | R174 | V172-R174 PolarHBondContact O-N 3.19Š|
| 173 | R | 48.8 | Very low | 44.9 | Very low | 230 Ų | 230 | 146.6 Ų | 146.6 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -98.2 | 43 | -174.7 | -154.9 | -172.6 | 177.2 | 174.5 | -0.1 | 114.7 | ||
| 174 | R | 37.8 | Very low | 44.2 | Very low | 240 Ų | 240 | 149.1 Ų | 149.1 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -148.1 | 94.8 | 158 | -76.9 | -155.9 | -171.8 | -164.4 | 4.3 | 110.1 | V172 | V172-R174 PolarHBondContact O-N 3.19Š| ||
| 175 | R | 32.6 | Very low | 43.4 | Very low | 240 Ų | 240 | 149.2 Ų | 149.2 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -113.2 | 121 | 153.7 | -141.2 | -169.3 | -166.1 | -142.4 | 5.7 | 106.6 | ||||
| 176 | P | 40.7 | Very low | 42.7 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -88.6 | 141.7 | 168.6 | 33.1 | -26.3 | 0 | 0 | 0 | 109.6 | ||||
| 177 | G | 34.4 | Very low | 41.9 | Very low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 110 | 94.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 178 | E | 33.9 | Very low | 41.1 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | -169.3 | 141.4 | 111.4 | -111.9 | 172.5 | 145.5 | 0 | 0 | 108.9 | |||||
| 179 | E | 39.1 | Very low | 40.6 | Very low | 192 Ų | 192 | 155 Ų | 155 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -70.3 | 161.4 | -173 | -61.4 | -160.2 | 145.8 | 0 | 0 | 114.1 | ||||
| 180 | A | 36.2 | Very low | 40.7 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 136.4 | 118.8 | 131.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 181 | G | 34.3 | Very low | 40.7 | Very low | 69 Ų | 69 | 153.2 Ų | 153.2 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 115.6 | 120.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 182 | S | 36.4 | Very low | 40.7 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | 74.5 | 113.7 | 162.1 | 78.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 183 | G | 40.3 | Very low | 40.3 | Very low | 68 Ų | 68 | 154.4 Ų | 154.4 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | cis | 108.9 | 77.6 | 21.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 184 | L | 36.7 | Very low | 40 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -154.3 | 90.9 | 155.9 | -78.6 | -171.8 | 0 | 0 | 0 | 109 | L186 | L184-L186 HydrophobicContact CB-CD1 3.99Å; L184-L186 PolarHBondContact O-N 3.4Å | ||
| 185 | H | 38.5 | Very low | 40.2 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 94.2 | 169.5 | -178.6 | -101.9 | 0 | 0 | 0 | 108.7 | E187 | H185-E187 WeakPolarHBondContact CE1-CG 3.37Å; H185-E187 PolarHBondContact O-N 3.41Å | ||
| 186 | L | 40.9 | Very low | 40.6 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -91.5 | 87.6 | 169.1 | -85.2 | 84.5 | 0 | 0 | 0 | 109.3 | L184 W188 | L184-L186 HydrophobicContact CB-CD1 3.99Å; L184-L186 PolarHBondContact O-N 3.4Å; L186-W188 PolarHBondContact O-N 3.37Å | ||
| 187 | E | 42 | Very low | 40.6 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 60% | 0.603 | 81% | 0.808 | S | S | * | * | trans | -58.3 | 119.1 | 162.1 | -104 | -88.3 | 143.1 | 0 | 0 | 110 | H185 R189 | H185-E187 WeakPolarHBondContact CE1-CG 3.37Å; H185-E187 PolarHBondContact O-N 3.41Å; E187-R189 PolarHBondContact O-N 2.8Å | ||
| 188 | W | 37 | Very low | 41 | Very low | 238 Ų | 238 | 145.3 Ų | 145.3 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -78.4 | 104 | 167.3 | -83.3 | 83.4 | 0 | 0 | 0 | 108.9 | L186 | L186-W188 PolarHBondContact O-N 3.37Š| ||
| 189 | R | 45.6 | Very low | 41.4 | Very low | 218 Ų | 218 | 148.5 Ų | 148.5 | 82% | 0.823 | 83% | 0.833 | S | S | * | * | trans | -85.3 | 123.5 | 166.5 | -73.2 | -171.5 | 176.7 | -125.2 | 0.7 | 110.3 | E187 | E187-R189 PolarHBondContact O-N 2.8Š| ||
| 190 | P | 50.8 | Low | 41.5 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 83% | 0.83 | S | S | * | * | trans | -82.9 | 118 | 167.9 | 30.5 | -26.7 | 0 | 0 | 0 | 109.5 | L192 | P190-L192 VanDerWaalsContact C-N 3.32Å; P190-L192 PolarHBondContact O-N 3Å | ||
| 191 | L | 50.7 | Low | 41.8 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | trans | -72.3 | 86.9 | 168.2 | -93.5 | 152.8 | 0 | 0 | 0 | 109.3 | ||||
| 192 | L | 48 | Very low | 42.2 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | trans | -134.3 | 107.2 | 164.3 | -98.7 | 150.9 | 0 | 0 | 0 | 107.8 | P190 | P190-L192 VanDerWaalsContact C-N 3.32Å; P190-L192 PolarHBondContact O-N 3Å | ||
| 193 | G | 40.8 | Very low | 42.6 | Very low | 71 Ų | 71 | 154.5 Ų | 154.5 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | 126.3 | 99.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 194 | L | 43 | Very low | 42.7 | Very low | 173 Ų | 173 | 159.9 Ų | 159.9 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | -175.7 | 121.1 | 89.1 | -141.8 | 73.2 | 0 | 0 | 0 | 109.2 | |||||
| 195 | Q | 42.1 | Very low | 43.1 | Very low | 195 Ų | 195 | 159.9 Ų | 159.9 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | trans | -75.4 | 137.4 | 162.5 | -175.3 | -159.3 | 87 | 0 | 0 | 107.9 | ||||
| 196 | G | 41.7 | Very low | 43.4 | Very low | 68 Ų | 68 | 159.6 Ų | 159.6 | 70% | 0.701 | 85% | 0.847 | S | S | * | * | trans | 124.6 | 139 | 153 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 197 | A | 40.4 | Very low | 43.6 | Very low | 99 Ų | 99 | 161.1 Ų | 161.1 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | 95.4 | 90.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 198 | L | 42.4 | Very low | 43.8 | Very low | 177 Ų | 177 | 163.8 Ų | 163.8 | 93% | 0.927 | 88% | 0.876 | S | S | * | * | 53.7 | 89.7 | 79.8 | -103.3 | 151.5 | 0 | 0 | 0 | 113.3 | |||||
| 199 | Q | 42.5 | Very low | 44.4 | Very low | 265 Ų | 265 | 157 Ų | 157 | 100% | 1.238 | 87% | 0.874 | S | S | * | * | -164.5 | 0 | 125.4 | -121.5 | 176.1 | 17.1 | 0 | 0 | 110.8 |
Retrieved 199 of 199 residues in 94.8 ms
(Link to these results)