| 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 | 44.5 | Very low | 49.6 | Very low | 241 Ų | 241 | 146.5 Ų | 146.5 | 100% | 1.187 | 82% | 0.822 | S | S | * | * | 0 | 105.6 | 0 | -74.5 | 167.2 | 153 | 0 | 0 | 105.5 | |||||
| 2 | I | 42.8 | Very low | 50.4 | Low | 167 Ų | 167 | 147.6 Ų | 147.6 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | -142.6 | 136.2 | 68.1 | -69.8 | -153.1 | 0 | 0 | 0 | 110.7 | |||||
| 3 | Q | 44 | Very low | 50.9 | Low | 194 Ų | 194 | 145.1 Ų | 145.1 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 142.3 | 166.7 | -88.2 | 156.7 | -29.4 | 0 | 0 | 110.6 | ||||
| 4 | G | 41.7 | Very low | 51.3 | Low | 81 Ų | 81 | 144.6 Ų | 144.6 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -155 | 93 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | S | 48.4 | Very low | 51.8 | Low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 152.6 | -177.6 | 38.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 6 | D | 51.8 | Low | 52.2 | Low | 167 Ų | 167 | 144.6 Ų | 144.6 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | 56.1 | 126.6 | 146.3 | -79.1 | -41.1 | 0 | 0 | 0 | 121 | ||||
| 7 | G | 49.3 | Very low | 52.3 | Low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -178.3 | 50.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V9 | G7-V9 VanDerWaalsContact C-N 3.32Å; G7-V9 PolarHBondContact O-N 2.91Å | ||
| 8 | K | 54.1 | Low | 52.6 | Low | 166 Ų | 166 | 146.6 Ų | 146.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -57.8 | 100.1 | 159.7 | -178.6 | -167.9 | 180 | -157 | 0 | 106.6 | E10 | K8-E10 WeakPolarHBondContact CE-OE2 3.46Å; K8-E10 HydrophobicContact CG-CB 4.47Å; K8-E10 IonicContact NZ-OE2 3.43Å; K8-E10 PolarHBondContact NZ-OE2 2.84Å; K8-E10 PolarHBondContact O-N 3.16Å | ||
| 9 | V | 58.2 | Low | 52.9 | Low | 136 Ų | 136 | 146.4 Ų | 146.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -74.1 | 78.5 | 171 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | G7 M11 | G7-V9 VanDerWaalsContact C-N 3.32Å; G7-V9 PolarHBondContact O-N 2.91Å; V9-M11 PolarHBondContact O-N 2.82Å; V9-M11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | E | 53.1 | Low | 53.3 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 56% | 0.556 | 76% | 0.755 | S | S | * | * | trans | -72.9 | 98.6 | 163.9 | -165.9 | 175.2 | 151.8 | 0 | 0 | 106.1 | K8 K12 | K8-E10 WeakPolarHBondContact CE-OE2 3.46Å; K8-E10 HydrophobicContact CG-CB 4.47Å; K8-E10 IonicContact NZ-OE2 3.43Å; K8-E10 PolarHBondContact NZ-OE2 2.84Å; K8-E10 PolarHBondContact O-N 3.16Å; E10-K12 PolarHBondContact O-N 2.81Å | ||
| 11 | M | 57.3 | Low | 54.2 | Low | 166 Ų | 166 | 140.8 Ų | 140.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -69.4 | 89.3 | 174.6 | -162 | 172.1 | -173.2 | 0 | 0 | 107.7 | V9 V13 | V9-M11 PolarHBondContact O-N 2.82Å; V9-M11 VanDerWaalsContact O-N 3.16Å; M11-V13 HydrophobicContact CG-CG2 4.04Å; M11-V13 PolarHBondContact O-N 2.73Å | ||
| 12 | K | 59.3 | Low | 55.3 | Low | 160 Ų | 160 | 135.2 Ų | 135.2 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | -75.5 | 80.9 | 176.5 | -152.1 | 168.9 | -174 | 163.4 | 0 | 107.6 | E10 H14 | E10-K12 PolarHBondContact O-N 2.81Å; K12-H14 HydrophobicContact CG-CB 4.42Å; K12-H14 PolarHBondContact O-N 2.9Å | ||
| 13 | V | 57.1 | Low | 56.5 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | -73.9 | 64.7 | 163.3 | -168.7 | 0 | 0 | 0 | 0 | 107.4 | M11 | M11-V13 HydrophobicContact CG-CG2 4.04Å; M11-V13 PolarHBondContact O-N 2.73Å | ||
| 14 | H | 56.7 | Low | 58 | Low | 139 Ų | 139 | 125.4 Ų | 125.4 | 64% | 0.644 | 68% | 0.684 | S | S | * | * | trans | -91.5 | 142.3 | 154.6 | -99.4 | 70.2 | 0 | 0 | 0 | 106.2 | K12 | K12-H14 HydrophobicContact CG-CB 4.42Å; K12-H14 PolarHBondContact O-N 2.9Å | ||
| 15 | I | 58.6 | Low | 59.7 | Low | 155 Ų | 155 | 126.1 Ų | 126.1 | 80% | 0.795 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 95.9 | 64 | 177.1 | -45.8 | 147.7 | 0 | 0 | 0 | 112.6 | ||
| 16 | H | 58.8 | Low | 60.7 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 62% | 0.616 | 66% | 0.655 | S | S | * | * | S | Bend | -171 | 14.7 | 127.2 | -124.7 | -83.2 | 0 | 0 | 0 | 115.4 | K18 F19 | H16-K18 PolarHBondContact O-N 2.05Å; H16-F19 PolarHBondContact O-N 3.45Å | |
| 17 | T | 53.4 | Low | 61.7 | Low | 136 Ų | 136 | 122.8 Ų | 122.8 | 83% | 0.834 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -74 | -9.8 | 171.3 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | F19 | T17-F19 PolarHBondContact O-N 3.05Å; T17-F19 VanDerWaalsContact O-N 3.14Å |
| 18 | K | 57.7 | Low | 62.8 | Low | 189 Ų | 189 | 124.2 Ų | 124.2 | 82% | 0.822 | 63% | 0.63 | S | S | * | * | trans | -84 | 61 | 160.6 | -62.7 | -175.9 | -178.6 | 177.6 | 0 | 108.6 | H16 C20 | H16-K18 PolarHBondContact O-N 2.05Å; K18-C20 PolarHBondContact O-N 2.92Å | ||
| 19 | F | 58.8 | Low | 63.4 | Low | 143 Ų | 143 | 123 Ų | 123 | 63% | 0.627 | 63% | 0.625 | S | S | * | * | trans | -50.9 | 111.2 | 141.9 | -90.6 | -87.1 | 0 | 0 | 0 | 103.8 | H16 T17 L21 L24 | H16-F19 PolarHBondContact O-N 3.45Å; T17-F19 PolarHBondContact O-N 3.05Å; T17-F19 VanDerWaalsContact O-N 3.14Å; F19-L21 VanDerWaalsContact C-N 3.27Å; F19-L21 PolarHBondContact O-N 2.93Å; F19-L24 HydrophobicContact CB-CD1 4.39Å | ||
| 20 | C | 61.4 | Low | 63.7 | Low | 50 Ų | 50 | 123.2 Ų | 123.2 | 34% | 0.338 | 62% | 0.616 | S | S | . | * | trans | -50.8 | 99.3 | -172.9 | 166.8 | 0 | 0 | 0 | 0 | 106.4 | K18 I22 C23 L24 | K18-C20 PolarHBondContact O-N 2.92Å; C20-I22 PolarHBondContact O-N 3.36Å; C20-C23 HydrophobicContact CB-CB 3.49Å; C20-C23 VanDerWaalsContact CB-CB 3.49Å; C20-C23 WeakPolarHBondContact CB-SG 3.14Å; C20-C23 CarbonylContact O-C 3.56Å; C20-C23 VanDerWaalsContact O-CA 3.29Å; C20-C23 WeakPolarHBondContact O-CA 3.29Å; C20-C23 VanDerWaalsContact O-CB 3.26Å; C20-C23 WeakPolarHBondContact O-CB 3.25Å; C20-C23 PolarHBondContact O-N 3.41Å; C20-C23 WeakPolarHBondContact SG-CB 2.93Å; C20-C23 PolarHBondContact SG-N 3.14Å; C20-C23 CovalentContact SG-SG 2.05Å; C20-C23 PolarHBondContact SG-SG 3.25Å; C20-L24 PolarHBondContact O-N 3.36Å | ||
| 21 | L | 70.5 | Confident | 63.9 | Low | 126 Ų | 126 | 123.2 Ų | 123.2 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.9 | -34.8 | -179.3 | -72.7 | 173.5 | 0 | 0 | 0 | 108 | F19 C23 L24 L25 | F19-L21 VanDerWaalsContact C-N 3.27Å; F19-L21 PolarHBondContact O-N 2.93Å; L21-C23 VanDerWaalsContact C-N 3.27Å; L21-C23 PolarHBondContact O-N 3.22Å; L21-L24 HydrophobicContact CD2-CD1 4.38Å; L21-L24 PolarHBondContact O-N 3.08Å; L21-L25 VanDerWaalsContact O-CB 3.29Å; L21-L25 WeakPolarHBondContact O-CB 3.1Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 2.92Å |
| 22 | I | 68.6 | Low | 63.6 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -53.4 | -44.4 | 168.4 | -61.9 | 165.2 | 0 | 0 | 0 | 111.1 | C20 L25 T26 | C20-I22 PolarHBondContact O-N 3.36Å; I22-L25 PolarHBondContact O-N 2.74Å; I22-T26 HydrophobicContact CG2-CG2 4.45Å; I22-T26 WeakPolarHBondContact O-CB 3.3Å; I22-T26 VanDerWaalsContact O-CG2 3.25Å; I22-T26 WeakPolarHBondContact O-CG2 3.26Å; I22-T26 PolarHBondContact O-N 2.78Å; I22-T26 PolarHBondContact O-OG1 3.32Å; I22-T26 VanDerWaalsContact O-OG1 3.08Å |
| 23 | C | 68 | Low | 63.3 | Low | 68 Ų | 68 | 118.6 Ų | 118.6 | 46% | 0.459 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.2 | -35.8 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | C20 L21 T26 F27 | C20-C23 HydrophobicContact CB-CB 3.49Å; C20-C23 VanDerWaalsContact CB-CB 3.49Å; C20-C23 WeakPolarHBondContact CB-SG 3.14Å; C20-C23 CarbonylContact O-C 3.56Å; C20-C23 VanDerWaalsContact O-CA 3.29Å; C20-C23 WeakPolarHBondContact O-CA 3.29Å; C20-C23 VanDerWaalsContact O-CB 3.26Å; C20-C23 WeakPolarHBondContact O-CB 3.25Å; C20-C23 PolarHBondContact O-N 3.41Å; C20-C23 WeakPolarHBondContact SG-CB 2.93Å; C20-C23 PolarHBondContact SG-N 3.14Å; C20-C23 CovalentContact SG-SG 2.05Å; C20-C23 PolarHBondContact SG-SG 3.25Å; L21-C23 VanDerWaalsContact C-N 3.27Å; L21-C23 PolarHBondContact O-N 3.22Å; C23-T26 VanDerWaalsContact CA-OG1 3.24Å; C23-T26 WeakPolarHBondContact CA-OG1 3.15Å; C23-T26 PolarHBondContact O-OG1 3.49Å; C23-F27 VanDerWaalsContact O-CB 3.3Å; C23-F27 WeakPolarHBondContact O-CB 3.46Å; C23-F27 PolarHBondContact O-N 2.78Å |
| 24 | L | 76.3 | Confident | 63 | Low | 87 Ų | 87 | 118.9 Ų | 118.9 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68 | -42.8 | 172 | -69.9 | 173.4 | 0 | 0 | 0 | 111.2 | F19 C20 L21 F27 I28 | F19-L24 HydrophobicContact CB-CD1 4.39Å; C20-L24 PolarHBondContact O-N 3.36Å; L21-L24 HydrophobicContact CD2-CD1 4.38Å; L21-L24 PolarHBondContact O-N 3.08Å; L24-F27 PolarHBondContact O-N 3.17Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.5Å; L24-I28 PolarHBondContact O-N 2.85Å |
| 25 | L | 75.8 | Confident | 62.9 | Low | 95 Ų | 95 | 117.2 Ų | 117.2 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.4 | -48.6 | 175.6 | -69.9 | 169.9 | 0 | 0 | 0 | 110.1 | L21 I22 F27 I28 F29 | L21-L25 VanDerWaalsContact O-CB 3.29Å; L21-L25 WeakPolarHBondContact O-CB 3.1Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 2.92Å; I22-L25 PolarHBondContact O-N 2.74Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 2.69Å; L25-I28 PolarHBondContact O-N 2.95Å; L25-I28 VanDerWaalsContact O-N 3.17Å; L25-F29 HydrophobicContact CB-CD2 4.39Å; L25-F29 HydrophobicContact CB-CE2 4.48Å; L25-F29 WeakPolarHBondContact O-CB 3.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.38Å; L25-F29 PolarHBondContact O-N 2.82Å |
| 26 | T | 70.3 | Confident | 62.7 | Low | 78 Ų | 78 | 117 Ų | 117 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.8 | -38.8 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | I22 C23 F29 H30 | I22-T26 HydrophobicContact CG2-CG2 4.45Å; I22-T26 WeakPolarHBondContact O-CB 3.3Å; I22-T26 VanDerWaalsContact O-CG2 3.25Å; I22-T26 WeakPolarHBondContact O-CG2 3.26Å; I22-T26 PolarHBondContact O-N 2.78Å; I22-T26 PolarHBondContact O-OG1 3.32Å; I22-T26 VanDerWaalsContact O-OG1 3.08Å; C23-T26 VanDerWaalsContact CA-OG1 3.24Å; C23-T26 WeakPolarHBondContact CA-OG1 3.15Å; C23-T26 PolarHBondContact O-OG1 3.49Å; T26-F29 PolarHBondContact O-N 3.45Å; T26-H30 WeakPolarHBondContact O-CB 3.32Å; T26-H30 PolarHBondContact O-N 3.35Å |
| 27 | F | 72 | Confident | 62.3 | Low | 126 Ų | 126 | 118.4 Ų | 118.4 | 55% | 0.553 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.3 | -46 | 175.2 | -178.1 | -96.7 | 0 | 0 | 0 | 111.3 | C23 L24 L25 H30 H31 | C23-F27 VanDerWaalsContact O-CB 3.3Å; C23-F27 WeakPolarHBondContact O-CB 3.46Å; C23-F27 PolarHBondContact O-N 2.78Å; L24-F27 PolarHBondContact O-N 3.17Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 2.69Å; F27-H30 PolarHBondContact O-N 2.8Å; F27-H31 AromaticContact CE1-CD2 3.65Å; F27-H31 AromaticContact CE2-CD2 3.38Å; F27-H31 WeakPolarHBondContact CE2-CD2 3.45Å; F27-H31 AromaticContact CE2-NE2 3.77Å; F27-H31 AromaticContact CZ-CD2 3.15Å; F27-H31 WeakPolarHBondContact CZ-CD2 3.06Å; F27-H31 AromaticContact CZ-NE2 3.45Å; F27-H31 WeakPolarHBondContact CZ-NE2 3.11Å; F27-H31 WeakPolarHBondContact O-CB 3.26Å; F27-H31 PolarHBondContact O-N 2.95Å |
| 28 | I | 73.1 | Confident | 62.2 | Low | 98 Ų | 98 | 118 Ų | 118 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.6 | -45.7 | 177.8 | -66.9 | 165.7 | 0 | 0 | 0 | 111.3 | L24 L25 H30 H31 C32 | L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.5Å; L24-I28 PolarHBondContact O-N 2.85Å; L25-I28 PolarHBondContact O-N 2.95Å; L25-I28 VanDerWaalsContact O-N 3.17Å; I28-H30 VanDerWaalsContact C-N 3.32Å; I28-H30 PolarHBondContact O-N 3.48Å; I28-H31 PolarHBondContact O-N 3.29Å; I28-C32 WeakPolarHBondContact O-CB 3Å; I28-C32 PolarHBondContact O-N 3.15Å; I28-C32 VanDerWaalsContact O-N 3.07Å; I28-C32 PolarHBondContact O-SG 3.11Å |
| 29 | F | 65.9 | Low | 62.2 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.3 | -35.4 | 177.1 | -79.9 | -71.5 | 0 | 0 | 0 | 112.1 | L25 T26 N33 | L25-F29 HydrophobicContact CB-CD2 4.39Å; L25-F29 HydrophobicContact CB-CE2 4.48Å; L25-F29 WeakPolarHBondContact O-CB 3.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.38Å; L25-F29 PolarHBondContact O-N 2.82Å; T26-F29 PolarHBondContact O-N 3.45Å; F29-N33 WeakPolarHBondContact O-CB 3.38Å; F29-N33 VanDerWaalsContact O-CG 3.29Å; F29-N33 PolarHBondContact O-N 3.35Å; F29-N33 VanDerWaalsContact O-N 3.13Å; F29-N33 PolarHBondContact O-ND2 3.28Å |
| 30 | H | 64.3 | Low | 61.7 | Low | 141 Ų | 141 | 117.3 Ų | 117.3 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79.2 | -32.9 | 179.4 | -153.4 | -65.7 | 0 | 0 | 0 | 112.6 | T26 F27 I28 H34 | T26-H30 WeakPolarHBondContact O-CB 3.32Å; T26-H30 PolarHBondContact O-N 3.35Å; F27-H30 PolarHBondContact O-N 2.8Å; I28-H30 VanDerWaalsContact C-N 3.32Å; I28-H30 PolarHBondContact O-N 3.48Å; H30-H34 PolarHBondContact O-N 3.33Å |
| 31 | H | 57.7 | Low | 61.1 | Low | 120 Ų | 120 | 122.4 Ų | 122.4 | 56% | 0.556 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75 | -26.4 | 175.3 | -117.6 | -80.7 | 0 | 0 | 0 | 113.1 | F27 I28 | F27-H31 AromaticContact CE1-CD2 3.65Å; F27-H31 AromaticContact CE2-CD2 3.38Å; F27-H31 WeakPolarHBondContact CE2-CD2 3.45Å; F27-H31 AromaticContact CE2-NE2 3.77Å; F27-H31 AromaticContact CZ-CD2 3.15Å; F27-H31 WeakPolarHBondContact CZ-CD2 3.06Å; F27-H31 AromaticContact CZ-NE2 3.45Å; F27-H31 WeakPolarHBondContact CZ-NE2 3.11Å; F27-H31 WeakPolarHBondContact O-CB 3.26Å; F27-H31 PolarHBondContact O-N 2.95Å; I28-H31 PolarHBondContact O-N 3.29Å |
| 32 | C | 52.2 | Low | 59.6 | Low | 93 Ų | 93 | 119 Ų | 119 | 63% | 0.628 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -87.1 | -23.9 | 174.4 | -69.3 | 0 | 0 | 0 | 0 | 113.3 | I28 H34 | I28-C32 WeakPolarHBondContact O-CB 3Å; I28-C32 PolarHBondContact O-N 3.15Å; I28-C32 VanDerWaalsContact O-N 3.07Å; I28-C32 PolarHBondContact O-SG 3.11Å; C32-H34 VanDerWaalsContact C-N 3.3Å |
| 33 | N | 52.8 | Low | 58.9 | Low | 135 Ų | 135 | 119.4 Ų | 119.4 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -79.3 | -12.1 | 171.6 | -79 | -18.9 | 0 | 0 | 0 | 113.3 | F29 C35 | F29-N33 WeakPolarHBondContact O-CB 3.38Å; F29-N33 VanDerWaalsContact O-CG 3.29Å; F29-N33 PolarHBondContact O-N 3.35Å; F29-N33 VanDerWaalsContact O-N 3.13Å; F29-N33 PolarHBondContact O-ND2 3.28Å; N33-C35 VanDerWaalsContact C-N 3.29Å; N33-C35 PolarHBondContact O-N 2.92Å |
| 34 | H | 49.7 | Very low | 57.7 | Low | 122 Ų | 122 | 125.3 Ų | 125.3 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 32.5 | 177.3 | -151 | 62.8 | 0 | 0 | 0 | 112.8 | H30 C32 | H30-H34 PolarHBondContact O-N 3.33Å; C32-H34 VanDerWaalsContact C-N 3.3Å |
| 35 | C | 55.4 | Low | 56.4 | Low | 103 Ų | 103 | 129.9 Ų | 129.9 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -106.8 | 58.6 | 162.2 | -73.9 | 0 | 0 | 0 | 0 | 108.8 | N33 | N33-C35 VanDerWaalsContact C-N 3.29Å; N33-C35 PolarHBondContact O-N 2.92Å |
| 36 | H | 54.4 | Low | 55.2 | Low | 150 Ų | 150 | 131.6 Ų | 131.6 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | trans | -173.5 | 86.6 | 155.3 | -116 | -89.4 | 0 | 0 | 0 | 106.8 | D38 | H36-D38 IonicContact ND1-OD1 3.81Å; H36-D38 PolarHBondContact ND1-OD1 2.66Å; H36-D38 PolarHBondContact O-N 2.69Å; H36-D38 VanDerWaalsContact O-N 3.13Å | ||
| 37 | E | 49.4 | Very low | 53.9 | Low | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | trans | -71.7 | 96.9 | 153.2 | -122 | 171 | 157.2 | 0 | 0 | 104.6 | H39 | E37-H39 PolarHBondContact O-N 3.28Å; E37-H39 VanDerWaalsContact O-N 3.13Å | ||
| 38 | D | 52.7 | Low | 52.3 | Low | 126 Ų | 126 | 139.2 Ų | 139.2 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | trans | -53.9 | 119 | 169 | -71 | -42.3 | 0 | 0 | 0 | 107.6 | H36 D40 | H36-D38 IonicContact ND1-OD1 3.81Å; H36-D38 PolarHBondContact ND1-OD1 2.66Å; H36-D38 PolarHBondContact O-N 2.69Å; H36-D38 VanDerWaalsContact O-N 3.13Å; D38-D40 PolarHBondContact O-N 2.99Å | ||
| 39 | H | 57.2 | Low | 51.3 | Low | 167 Ų | 167 | 143.3 Ų | 143.3 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -63.2 | 87.5 | 166.7 | -84.3 | -65.6 | 0 | 0 | 0 | 108 | E37 H41 | E37-H39 PolarHBondContact O-N 3.28Å; E37-H39 VanDerWaalsContact O-N 3.13Å; H39-H41 VanDerWaalsContact C-N 3.32Å; H39-H41 AromaticContact ND1-NE2 3.94Å; H39-H41 PolarHBondContact O-N 3.09Å | ||
| 40 | D | 47.3 | Very low | 50.2 | Low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -69.5 | 91.4 | 167.7 | -167.3 | 19 | 0 | 0 | 0 | 108.1 | D38 | D38-D40 PolarHBondContact O-N 2.99Š| ||
| 41 | H | 50.3 | Low | 49.1 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -103.8 | 101 | 163.9 | -69.1 | -48.1 | 0 | 0 | 0 | 108 | H39 | H39-H41 VanDerWaalsContact C-N 3.32Å; H39-H41 AromaticContact ND1-NE2 3.94Å; H39-H41 PolarHBondContact O-N 3.09Å | ||
| 42 | G | 39.1 | Very low | 48.2 | Very low | 54 Ų | 54 | 146.6 Ų | 146.6 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | trans | -58.9 | 170.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E44 | G42-E44 PolarHBondContact O-N 3.31Š| ||
| 43 | P | 52.5 | Low | 47.9 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -86.3 | 104.3 | -159.4 | 33.7 | -31.2 | 0 | 0 | 0 | 110.9 | ||||
| 44 | E | 42.7 | Very low | 47.6 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -118.3 | 100.4 | 154.6 | -76.6 | -105.7 | 144 | 0 | 0 | 107.5 | G42 | G42-E44 PolarHBondContact O-N 3.31Š| ||
| 45 | E | 49.3 | Very low | 47.6 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -31.6 | 132.4 | 154.6 | -117.5 | 179 | 156 | 0 | 0 | 110.8 | ||||
| 46 | L | 51.2 | Low | 47.4 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | 161.4 | 124.3 | 113.5 | -164.9 | 77.4 | 0 | 0 | 0 | 110.9 | |||||
| 47 | H | 42.4 | Very low | 47.3 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | 97.3 | 107.5 | 156.4 | -65.6 | -34.3 | 0 | 0 | 0 | 121.6 | ||||
| 48 | R | 38 | Very low | 47.6 | Very low | 215 Ų | 215 | 148.6 Ų | 148.6 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | 93.5 | 95.5 | 127.1 | -74.9 | 176.3 | 81.7 | 103.7 | -2.9 | 117 | |||||
| 49 | H | 52.7 | Low | 47.8 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | 32.5 | 94.8 | 126.2 | -69 | -71.5 | 0 | 0 | 0 | 116.5 | |||||
| 50 | H | 43.8 | Very low | 48 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | -145.9 | 101.3 | 139.2 | -133.9 | -107.4 | 0 | 0 | 0 | 111.1 | ||||
| 51 | R | 40.7 | Very low | 48.9 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 54.1 | 107.4 | 130.1 | -171.4 | 175.5 | 163.2 | 141 | -3.6 | 117.7 | ||||
| 52 | G | 38.9 | Very low | 50.4 | Low | 65 Ų | 65 | 140.4 Ų | 140.4 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | trans | 78.7 | 90.6 | 134.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T54 | G52-T54 VanDerWaalsContact C-N 3.26Å; G52-T54 PolarHBondContact O-N 3.13Å | ||
| 53 | M | 46.3 | Very low | 52.7 | Low | 180 Ų | 180 | 141.8 Ų | 141.8 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | trans | -57.4 | 86.9 | 161 | -165.4 | 89 | 76.8 | 0 | 0 | 109.6 | ||||
| 54 | T | 45.9 | Very low | 54.6 | Low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 70% | 0.704 | S | S | * | * | trans | -84.2 | 102.9 | 148.8 | 31.2 | 0 | 0 | 0 | 0 | 106.3 | G52 S56 | G52-T54 VanDerWaalsContact C-N 3.26Å; G52-T54 PolarHBondContact O-N 3.13Å; T54-S56 PolarHBondContact O-N 3.15Å | ||
| 55 | E | 48.6 | Very low | 57 | Low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | trans | -47.3 | 128 | 169.1 | -72.8 | 172 | 128.1 | 0 | 0 | 111.2 | E57 | E55-E57 PolarHBondContact O-N 3.46Š| ||
| 56 | S | 52.3 | Low | 59 | Low | 79 Ų | 79 | 128.2 Ų | 128.2 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 44.4 | 49.8 | 136.2 | -167.8 | 0 | 0 | 0 | 0 | 118.5 | T54 S59 | T54-S56 PolarHBondContact O-N 3.15Å; S56-S59 PolarHBondContact OG-OG 3.26Å |
| 57 | E | 51.8 | Low | 61 | Low | 148 Ų | 148 | 126.9 Ų | 126.9 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -90.7 | -21.4 | 161.9 | -70.3 | -103.1 | 119.3 | 0 | 0 | 111.7 | E55 S59 K60 F61 | E55-E57 PolarHBondContact O-N 3.46Å; E57-S59 VanDerWaalsContact C-N 3.33Å; E57-S59 PolarHBondContact O-N 3.46Å; E57-K60 PolarHBondContact O-N 3.29Å; E57-F61 PolarHBondContact O-N 3.01Å |
| 58 | S | 55.3 | Low | 63.5 | Low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.4 | -29.4 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 59 | S | 58.7 | Low | 66.2 | Low | 64 Ų | 64 | 118.7 Ų | 118.7 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -80.3 | -34 | -178.4 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | S56 E57 S62 V63 | S56-S59 PolarHBondContact OG-OG 3.26Å; E57-S59 VanDerWaalsContact C-N 3.33Å; E57-S59 PolarHBondContact O-N 3.46Å; S59-S62 PolarHBondContact O-N 3.36Å; S59-V63 PolarHBondContact O-N 3.07Å |
| 60 | K | 60.3 | Low | 68.2 | Low | 142 Ų | 142 | 117.1 Ų | 117.1 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.5 | -35.9 | 178.3 | -66.9 | -179.9 | -176.5 | 169.6 | 0 | 112.2 | E57 S62 V63 Q64 | E57-K60 PolarHBondContact O-N 3.29Å; K60-S62 VanDerWaalsContact C-N 3.33Å; K60-S62 PolarHBondContact O-N 3.36Å; K60-V63 PolarHBondContact O-N 3.1Å; K60-Q64 PolarHBondContact O-N 2.77Å |
| 61 | F | 65.8 | Low | 70.6 | Confident | 146 Ų | 146 | 114.6 Ų | 114.6 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.4 | -45.2 | 176.2 | -169.1 | -104.7 | 0 | 0 | 0 | 111.2 | E57 V63 Q64 D65 | E57-F61 PolarHBondContact O-N 3.01Å; F61-V63 PolarHBondContact O-N 3.5Å; F61-Q64 PolarHBondContact O-N 2.94Å; F61-D65 WeakPolarHBondContact CD1-OD2 3.49Å; F61-D65 WeakPolarHBondContact CE1-OD2 3.32Å; F61-D65 WeakPolarHBondContact CZ-OD2 3.37Å; F61-D65 WeakPolarHBondContact O-CB 3.45Å; F61-D65 PolarHBondContact O-N 2.75Å |
| 62 | S | 81.7 | Confident | 73.2 | Confident | 77 Ų | 77 | 109.6 Ų | 109.6 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.7 | -42.2 | 176.7 | 157.8 | 0 | 0 | 0 | 0 | 113.6 | S59 K60 A66 | S59-S62 PolarHBondContact O-N 3.36Å; K60-S62 VanDerWaalsContact C-N 3.33Å; K60-S62 PolarHBondContact O-N 3.36Å; S62-A66 WeakPolarHBondContact O-CB 3.49Å; S62-A66 PolarHBondContact O-N 3.23Å; S62-A66 VanDerWaalsContact O-N 3.13Å |
| 63 | V | 88.1 | Confident | 75.9 | Confident | 84 Ų | 84 | 112.8 Ų | 112.8 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.9 | -45.4 | -179.7 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | S59 K60 F61 D65 A66 E67 | S59-V63 PolarHBondContact O-N 3.07Å; K60-V63 PolarHBondContact O-N 3.1Å; F61-V63 PolarHBondContact O-N 3.5Å; V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 PolarHBondContact O-N 3.19Å; V63-A66 PolarHBondContact O-N 3.11Å; V63-E67 WeakPolarHBondContact O-CG 3.35Å; V63-E67 PolarHBondContact O-N 3Å |
| 64 | Q | 92.1 | Very high | 78.2 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -39.5 | -179.4 | -171.1 | 62 | 76.5 | 0 | 0 | 111.9 | K60 F61 E67 N68 | K60-Q64 PolarHBondContact O-N 2.77Å; F61-Q64 PolarHBondContact O-N 2.94Å; Q64-E67 PolarHBondContact NE2-OE2 3.13Å; Q64-E67 PolarHBondContact O-N 3.43Å; Q64-N68 PolarHBondContact NE2-OD1 3.45Å; Q64-N68 WeakPolarHBondContact O-CB 3.46Å; Q64-N68 PolarHBondContact O-N 3.13Å; Q64-N68 PolarHBondContact O-ND2 3.33Å; Q64-N68 VanDerWaalsContact O-ND2 3.17Å |
| 65 | D | 92.5 | Very high | 80.5 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 176.6 | -73.5 | -16.1 | 0 | 0 | 0 | 111.6 | F61 V63 E67 N68 E69 | F61-D65 WeakPolarHBondContact CD1-OD2 3.49Å; F61-D65 WeakPolarHBondContact CE1-OD2 3.32Å; F61-D65 WeakPolarHBondContact CZ-OD2 3.37Å; F61-D65 WeakPolarHBondContact O-CB 3.45Å; F61-D65 PolarHBondContact O-N 2.75Å; V63-D65 VanDerWaalsContact C-N 3.33Å; V63-D65 PolarHBondContact O-N 3.19Å; D65-E67 VanDerWaalsContact C-N 3.34Å; D65-E67 PolarHBondContact O-N 2.77Å; D65-N68 PolarHBondContact O-N 3.5Å; D65-E69 WeakPolarHBondContact O-CB 3.49Å; D65-E69 PolarHBondContact O-N 3.12Å |
| 66 | A | 91.9 | Very high | 82.7 | Confident | 57 Ų | 57 | 102.7 Ų | 102.7 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S62 V63 E69 K70 | S62-A66 WeakPolarHBondContact O-CB 3.49Å; S62-A66 PolarHBondContact O-N 3.23Å; S62-A66 VanDerWaalsContact O-N 3.13Å; V63-A66 PolarHBondContact O-N 3.11Å; A66-E69 PolarHBondContact O-N 2.84Å; A66-K70 WeakPolarHBondContact O-CB 3.39Å; A66-K70 PolarHBondContact O-N 3.28Å |
| 67 | E | 93.4 | Very high | 84.7 | Confident | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 174.3 | -74.8 | -172.1 | 160.7 | 0 | 0 | 112.3 | V63 Q64 D65 K70 K71 | V63-E67 WeakPolarHBondContact O-CG 3.35Å; V63-E67 PolarHBondContact O-N 3Å; Q64-E67 PolarHBondContact NE2-OE2 3.13Å; Q64-E67 PolarHBondContact O-N 3.43Å; D65-E67 VanDerWaalsContact C-N 3.34Å; D65-E67 PolarHBondContact O-N 2.77Å; E67-K70 PolarHBondContact O-N 3.41Å; E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 2.76Å |
| 68 | N | 94.9 | Very high | 86.8 | Confident | 82 Ų | 82 | 98 Ų | 98 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.9 | -70.9 | -23.6 | 0 | 0 | 0 | 111.3 | Q64 D65 K71 Y72 | Q64-N68 PolarHBondContact NE2-OD1 3.45Å; Q64-N68 WeakPolarHBondContact O-CB 3.46Å; Q64-N68 PolarHBondContact O-N 3.13Å; Q64-N68 PolarHBondContact O-ND2 3.33Å; Q64-N68 VanDerWaalsContact O-ND2 3.17Å; D65-N68 PolarHBondContact O-N 3.5Å; N68-K71 PolarHBondContact O-N 2.94Å; N68-Y72 WeakPolarHBondContact O-CB 3.39Å; N68-Y72 PolarHBondContact O-N 3.49Å |
| 69 | E | 94 | Very high | 88.7 | Confident | 110 Ų | 110 | 98.6 Ų | 98.6 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 175.6 | -176.5 | 174.7 | -163.4 | 0 | 0 | 111.2 | D65 A66 K71 Y72 Y73 | D65-E69 WeakPolarHBondContact O-CB 3.49Å; D65-E69 PolarHBondContact O-N 3.12Å; A66-E69 PolarHBondContact O-N 2.84Å; E69-K71 VanDerWaalsContact C-N 3.32Å; E69-K71 PolarHBondContact O-N 3.4Å; E69-Y72 WeakPolarHBondContact O-CB 3.44Å; E69-Y72 PolarHBondContact O-N 3.28Å; E69-Y73 HydrophobicContact CG-CD2 3.79Å; E69-Y73 HydrophobicContact CG-CE2 3.4Å; E69-Y73 VanDerWaalsContact CG-CE2 3.4Å; E69-Y73 WeakPolarHBondContact O-CD2 3.48Å; E69-Y73 PolarHBondContact O-N 2.98Å; E69-Y73 VanDerWaalsContact O-N 3.08Å |
| 70 | K | 94.7 | Very high | 90.4 | Very high | 149 Ų | 149 | 104.2 Ų | 104.2 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.5 | -48.2 | 174.9 | -170.4 | -175.6 | 102.1 | -174.7 | 0 | 111 | A66 E67 Y72 Y73 I74 | A66-K70 WeakPolarHBondContact O-CB 3.39Å; A66-K70 PolarHBondContact O-N 3.28Å; E67-K70 PolarHBondContact O-N 3.41Å; K70-Y72 VanDerWaalsContact C-N 3.35Å; K70-Y72 PolarHBondContact O-N 3.45Å; K70-Y73 PolarHBondContact O-N 3.46Å; K70-I74 WeakPolarHBondContact O-CG1 3.47Å; K70-I74 PolarHBondContact O-N 2.92Å; K70-I74 VanDerWaalsContact O-N 3.07Å |
| 71 | K | 94.9 | Very high | 92.1 | Very high | 125 Ų | 125 | 99.2 Ų | 99.2 | 54% | 0.543 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 178.8 | -179.2 | 179 | 171.9 | -177.2 | 0 | 111.2 | E67 N68 E69 Y73 I74 E75 | E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 2.76Å; N68-K71 PolarHBondContact O-N 2.94Å; E69-K71 VanDerWaalsContact C-N 3.32Å; E69-K71 PolarHBondContact O-N 3.4Å; K71-Y73 VanDerWaalsContact C-N 3.34Å; K71-Y73 PolarHBondContact O-N 3.37Å; K71-I74 PolarHBondContact O-N 3.38Å; K71-E75 WeakPolarHBondContact CE-OE1 3.44Å; K71-E75 HydrophobicContact CG-CG 4.45Å; K71-E75 IonicContact NZ-OE1 3.98Å; K71-E75 WeakPolarHBondContact O-CG 3.16Å; K71-E75 PolarHBondContact O-N 3.24Å |
| 72 | Y | 95.7 | Very high | 93.5 | Very high | 122 Ų | 122 | 93 Ų | 93 | 48% | 0.478 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -54.8 | -47.5 | 178 | 173 | -93.8 | 0 | 0 | 0 | 112.2 | N68 E69 K70 E75 K76 | N68-Y72 WeakPolarHBondContact O-CB 3.39Å; N68-Y72 PolarHBondContact O-N 3.49Å; E69-Y72 WeakPolarHBondContact O-CB 3.44Å; E69-Y72 PolarHBondContact O-N 3.28Å; K70-Y72 VanDerWaalsContact C-N 3.35Å; K70-Y72 PolarHBondContact O-N 3.45Å; Y72-E75 PolarHBondContact O-N 2.85Å; Y72-K76 HydrophobicContact CD1-CG 4.46Å; Y72-K76 HydrophobicContact CE1-CG 4.03Å; Y72-K76 HydrophobicContact CE2-CG 4.48Å; Y72-K76 WeakPolarHBondContact O-CG 3.42Å; Y72-K76 PolarHBondContact O-N 3.11Å; Y72-K76 WeakPolarHBondContact OH-CE 2.96Å |
| 73 | Y | 95.4 | Very high | 94.1 | Very high | 132 Ų | 132 | 96.5 Ų | 96.5 | 52% | 0.518 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.5 | -36.1 | -179.6 | -72.5 | -62.3 | 0 | 0 | 0 | 113.2 | E69 K70 K71 K76 L77 | E69-Y73 HydrophobicContact CG-CD2 3.79Å; E69-Y73 HydrophobicContact CG-CE2 3.4Å; E69-Y73 VanDerWaalsContact CG-CE2 3.4Å; E69-Y73 WeakPolarHBondContact O-CD2 3.48Å; E69-Y73 PolarHBondContact O-N 2.98Å; E69-Y73 VanDerWaalsContact O-N 3.08Å; K70-Y73 PolarHBondContact O-N 3.46Å; K71-Y73 VanDerWaalsContact C-N 3.34Å; K71-Y73 PolarHBondContact O-N 3.37Å; Y73-K76 PolarHBondContact O-N 2.77Å; Y73-L77 WeakPolarHBondContact O-CG 3.44Å; Y73-L77 PolarHBondContact O-N 3.13Å |
| 74 | I | 93.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 100.2 Ų | 100.2 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 173.6 | -67.1 | -62.2 | 0 | 0 | 0 | 111 | K70 K71 K76 L77 F78 | K70-I74 WeakPolarHBondContact O-CG1 3.47Å; K70-I74 PolarHBondContact O-N 2.92Å; K70-I74 VanDerWaalsContact O-N 3.07Å; K71-I74 PolarHBondContact O-N 3.38Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.45Å; I74-L77 HydrophobicContact CD1-CD1 4.32Å; I74-L77 WeakPolarHBondContact O-CB 3.35Å; I74-L77 PolarHBondContact O-N 3.36Å; I74-L77 VanDerWaalsContact O-N 3.12Å; I74-F78 HydrophobicContact CG2-CD2 4.27Å; I74-F78 HydrophobicContact CG2-CE1 4.26Å; I74-F78 HydrophobicContact CG2-CE2 3.88Å; I74-F78 HydrophobicContact CG2-CZ 3.87Å; I74-F78 PolarHBondContact O-N 3.28Å |
| 75 | E | 94.7 | Very high | 94 | Very high | 92 Ų | 92 | 98.1 Ų | 98.1 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.3 | -73.6 | 176.6 | 172 | 0 | 0 | 111.1 | K71 Y72 L77 F78 D79 | K71-E75 WeakPolarHBondContact CE-OE1 3.44Å; K71-E75 HydrophobicContact CG-CG 4.45Å; K71-E75 IonicContact NZ-OE1 3.98Å; K71-E75 WeakPolarHBondContact O-CG 3.16Å; K71-E75 PolarHBondContact O-N 3.24Å; Y72-E75 PolarHBondContact O-N 2.85Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 2.94Å; E75-F78 CarbonylContact O-C 3.56Å; E75-F78 PolarHBondContact O-N 2.87Å; E75-F78 VanDerWaalsContact O-N 3.1Å; E75-D79 VanDerWaalsContact O-CG 3.3Å; E75-D79 PolarHBondContact O-N 3.02Å |
| 76 | K | 94.7 | Very high | 94 | Very high | 97 Ų | 97 | 104.2 Ų | 104.2 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -32.8 | 174.8 | -71 | -61.1 | 175 | -156 | 0 | 114.1 | Y72 Y73 I74 D79 R80 | Y72-K76 HydrophobicContact CD1-CG 4.46Å; Y72-K76 HydrophobicContact CE1-CG 4.03Å; Y72-K76 HydrophobicContact CE2-CG 4.48Å; Y72-K76 WeakPolarHBondContact O-CG 3.42Å; Y72-K76 PolarHBondContact O-N 3.11Å; Y72-K76 WeakPolarHBondContact OH-CE 2.96Å; Y73-K76 PolarHBondContact O-N 2.77Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.45Å; K76-D79 IonicContact NZ-OD2 3.94Å; K76-R80 WeakPolarHBondContact O-CB 3.22Å; K76-R80 PolarHBondContact O-N 3.1Å |
| 77 | L | 94.5 | Very high | 94 | Very high | 64 Ų | 64 | 104.1 Ų | 104.1 | 34% | 0.335 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 173.1 | -72.2 | 168.8 | 0 | 0 | 0 | 111 | Y73 I74 E75 R80 Y81 L95 | Y73-L77 WeakPolarHBondContact O-CG 3.44Å; Y73-L77 PolarHBondContact O-N 3.13Å; I74-L77 HydrophobicContact CD1-CD1 4.32Å; I74-L77 WeakPolarHBondContact O-CB 3.35Å; I74-L77 PolarHBondContact O-N 3.36Å; I74-L77 VanDerWaalsContact O-N 3.12Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 2.94Å; L77-R80 PolarHBondContact O-N 3.46Å; L77-Y81 HydrophobicContact CD2-CD2 4.2Å; L77-Y81 HydrophobicContact CD2-CE2 4.2Å; L77-Y81 WeakPolarHBondContact O-CB 3.18Å; L77-Y81 PolarHBondContact O-N 3.25Å; L77-L95 HydrophobicContact CD2-CD1 3.76Å; L77-L95 HydrophobicContact CD2-CD2 4.49Å |
| 78 | F | 95.4 | Very high | 94 | Very high | 65 Ų | 65 | 102 Ų | 102 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -35.4 | 178.9 | -67.7 | -3.8 | 0 | 0 | 0 | 112.5 | I74 E75 R80 G82 G85 L87 | I74-F78 HydrophobicContact CG2-CD2 4.27Å; I74-F78 HydrophobicContact CG2-CE1 4.26Å; I74-F78 HydrophobicContact CG2-CE2 3.88Å; I74-F78 HydrophobicContact CG2-CZ 3.87Å; I74-F78 PolarHBondContact O-N 3.28Å; E75-F78 CarbonylContact O-C 3.56Å; E75-F78 PolarHBondContact O-N 2.87Å; E75-F78 VanDerWaalsContact O-N 3.1Å; F78-R80 PolarHBondContact O-N 2.9Å; F78-G82 CarbonylContact O-C 3.6Å; F78-G82 WeakPolarHBondContact O-CA 3.44Å; F78-G82 PolarHBondContact O-N 2.92Å; F78-G82 VanDerWaalsContact O-O 3.12Å; F78-G85 WeakPolarHBondContact CD2-O 3.38Å; F78-G85 WeakPolarHBondContact CE2-O 3.35Å; F78-L87 HydrophobicContact CD1-CB 4.39Å; F78-L87 HydrophobicContact CE1-CB 4.09Å |
| 79 | D | 94.9 | Very high | 93.8 | Very high | 118 Ų | 118 | 103.5 Ų | 103.5 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.5 | -35.2 | 172.3 | -73.1 | -14.3 | 0 | 0 | 0 | 112 | E75 K76 | E75-D79 VanDerWaalsContact O-CG 3.3Å; E75-D79 PolarHBondContact O-N 3.02Å; K76-D79 IonicContact NZ-OD2 3.94Å |
| 80 | R | 95.8 | Very high | 93.7 | Very high | 182 Ų | 182 | 105 Ų | 105 | 69% | 0.687 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -89.8 | -37.6 | -173.7 | -176.1 | 178 | -70.1 | -145.2 | 2 | 113.5 | K76 L77 F78 | K76-R80 WeakPolarHBondContact O-CB 3.22Å; K76-R80 PolarHBondContact O-N 3.1Å; L77-R80 PolarHBondContact O-N 3.46Å; F78-R80 PolarHBondContact O-N 2.9Å |
| 81 | Y | 95.9 | Very high | 93.7 | Very high | 37 Ų | 37 | 98 Ų | 98 | 15% | 0.145 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -122.9 | -13.7 | -170.4 | -60 | -73.4 | 0 | 0 | 0 | 113.4 | L77 G91 K94 L95 N98 | L77-Y81 HydrophobicContact CD2-CD2 4.2Å; L77-Y81 HydrophobicContact CD2-CE2 4.2Å; L77-Y81 WeakPolarHBondContact O-CB 3.18Å; L77-Y81 PolarHBondContact O-N 3.25Å; Y81-G91 WeakPolarHBondContact O-CA 3.42Å; Y81-K94 HydrophobicContact CD1-CB 4.29Å; Y81-K94 HydrophobicContact CD1-CD 4.29Å; Y81-K94 HydrophobicContact CD1-CG 4.05Å; Y81-K94 HydrophobicContact CE1-CG 4.21Å; Y81-L95 HydrophobicContact CD1-CB 4.04Å; Y81-L95 HydrophobicContact CD2-CB 4.08Å; Y81-L95 HydrophobicContact CD2-CD1 3.63Å; Y81-L95 HydrophobicContact CD2-CG 4.34Å; Y81-L95 HydrophobicContact CE1-CB 4.44Å; Y81-L95 HydrophobicContact CE2-CB 4.44Å; Y81-L95 HydrophobicContact CE2-CD1 3.44Å; Y81-L95 VanDerWaalsContact CE2-CD1 3.44Å; Y81-L95 HydrophobicContact CG-CB 3.86Å; Y81-L95 HydrophobicContact CG-CD1 4.29Å; Y81-N98 WeakPolarHBondContact CE1-ND2 3.39Å |
| 82 | G | 95.1 | Very high | 93.5 | Very high | 15 Ų | 15 | 95.4 Ų | 95.4 | 16% | 0.155 | 45% | 0.454 | C | S | . | . | trans | -110.1 | -176.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F78 R86 | F78-G82 CarbonylContact O-C 3.6Å; F78-G82 WeakPolarHBondContact O-CA 3.44Å; F78-G82 PolarHBondContact O-N 2.92Å; F78-G82 VanDerWaalsContact O-O 3.12Å; G82-R86 CarbonylContact C-O 3.2Å; G82-R86 WeakPolarHBondContact CA-O 3.43Å | ||
| 83 | E | 92.7 | Very high | 93.4 | Very high | 151 Ų | 151 | 92.6 Ų | 92.6 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | B | Isolated β-bridge | trans | -144.9 | 144.5 | 173.3 | -67.4 | 179.4 | -178.5 | 0 | 0 | 108.1 | G85 R86 | E83-G85 PolarHBondContact O-N 3.4Å; E83-R86 PolarHBondContact N-O 2.89Å; E83-R86 PolarHBondContact O-N 3.49Å; E83-R86 VanDerWaalsContact O-O 3.04Å |
| 84 | N | 90.4 | Very high | 93.2 | Very high | 162 Ų | 162 | 91.4 Ų | 91.4 | 87% | 0.866 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 36 | 178.8 | -54 | -45.7 | 0 | 0 | 0 | 114.1 | R86 | N84-R86 PolarHBondContact O-N 3.36Š|
| 85 | G | 89.4 | Confident | 93.2 | Very high | 52 Ų | 52 | 88.9 Ų | 88.9 | 54% | 0.536 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 18.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | F78 E83 | F78-G85 WeakPolarHBondContact CD2-O 3.38Å; F78-G85 WeakPolarHBondContact CE2-O 3.35Å; E83-G85 PolarHBondContact O-N 3.4Å |
| 86 | R | 91.8 | Very high | 93.1 | Very high | 198 Ų | 198 | 86.8 Ų | 86.8 | 75% | 0.747 | 42% | 0.421 | S | S | * | . | B | Isolated β-bridge | trans | -129.6 | 150.7 | 177.9 | -69.3 | -176.1 | 165.4 | -129.1 | -3 | 110.6 | G82 E83 N84 | G82-R86 CarbonylContact C-O 3.2Å; G82-R86 WeakPolarHBondContact CA-O 3.43Å; E83-R86 PolarHBondContact N-O 2.89Å; E83-R86 PolarHBondContact O-N 3.49Å; E83-R86 VanDerWaalsContact O-O 3.04Å; N84-R86 PolarHBondContact O-N 3.36Å |
| 87 | L | 92.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 85.8 Ų | 85.8 | 29% | 0.293 | 42% | 0.423 | S | S | . | . | trans | -96.5 | 115.1 | 173.5 | -162.6 | 66.2 | 0 | 0 | 0 | 109.1 | F78 L92 L95 | F78-L87 HydrophobicContact CD1-CB 4.39Å; F78-L87 HydrophobicContact CE1-CB 4.09Å; L87-L92 HydrophobicContact CD2-CB 3.74Å; L87-L92 HydrophobicContact CD2-CD1 3.7Å; L87-L92 HydrophobicContact CD2-CG 4.29Å; L87-L92 HydrophobicContact CG-CB 3.97Å; L87-L95 HydrophobicContact CD2-CD2 4.16Å | ||
| 88 | S | 92.3 | Very high | 92.8 | Very high | 59 Ų | 59 | 87.6 Ų | 87.6 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | trans | -73.5 | 165.6 | 172 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | F90 G91 L92 | S88-F90 VanDerWaalsContact C-N 3.28Å; S88-F90 PolarHBondContact O-N 3.38Å; S88-G91 PolarHBondContact O-N 3.35Å; S88-G91 VanDerWaalsContact O-N 3.11Å; S88-G91 PolarHBondContact OG-N 3.08Å; S88-L92 WeakPolarHBondContact O-CB 3.12Å; S88-L92 PolarHBondContact O-N 3.22Å | ||
| 89 | F | 91.1 | Very high | 92.5 | Very high | 112 Ų | 112 | 89.9 Ų | 89.9 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.8 | -47.1 | 173.3 | 176.2 | -97.4 | 0 | 0 | 0 | 111.5 | G91 L92 E93 V106 | F89-G91 VanDerWaalsContact C-N 3.32Å; F89-G91 PolarHBondContact O-N 3.48Å; F89-L92 PolarHBondContact O-N 3.07Å; F89-E93 WeakPolarHBondContact O-CB 3.41Å; F89-E93 PolarHBondContact O-N 3.38Å; F89-V106 HydrophobicContact CD2-CG2 4.4Å; F89-V106 HydrophobicContact CE2-CG2 3.37Å; F89-V106 HydrophobicContact CZ-CG2 3.54Å |
| 90 | F | 92.1 | Very high | 92.2 | Very high | 142 Ų | 142 | 87.4 Ų | 87.4 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.2 | -40.1 | 176.2 | 178.9 | -103.9 | 0 | 0 | 0 | 112.5 | S88 E93 K94 | S88-F90 VanDerWaalsContact C-N 3.28Å; S88-F90 PolarHBondContact O-N 3.38Å; F90-E93 PolarHBondContact O-N 2.91Å; F90-K94 WeakPolarHBondContact O-CB 3.47Å; F90-K94 PolarHBondContact O-N 3.31Å |
| 91 | G | 94.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 84.5 Ų | 84.5 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y81 S88 F89 E93 K94 L95 | Y81-G91 WeakPolarHBondContact O-CA 3.42Å; S88-G91 PolarHBondContact O-N 3.35Å; S88-G91 VanDerWaalsContact O-N 3.11Å; S88-G91 PolarHBondContact OG-N 3.08Å; F89-G91 VanDerWaalsContact C-N 3.32Å; F89-G91 PolarHBondContact O-N 3.48Å; G91-E93 VanDerWaalsContact C-N 3.31Å; G91-E93 PolarHBondContact O-N 3.23Å; G91-K94 PolarHBondContact O-N 3.12Å; G91-L95 WeakPolarHBondContact O-CB 3.44Å; G91-L95 PolarHBondContact O-N 3.42Å |
| 92 | L | 91.6 | Very high | 90.8 | Very high | 70 Ų | 70 | 84.8 Ų | 84.8 | 37% | 0.366 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.6 | 177.5 | 61.7 | 0 | 0 | 0 | 111.1 | L87 S88 F89 L95 L96 | L87-L92 HydrophobicContact CD2-CB 3.74Å; L87-L92 HydrophobicContact CD2-CD1 3.7Å; L87-L92 HydrophobicContact CD2-CG 4.29Å; L87-L92 HydrophobicContact CG-CB 3.97Å; S88-L92 WeakPolarHBondContact O-CB 3.12Å; S88-L92 PolarHBondContact O-N 3.22Å; F89-L92 PolarHBondContact O-N 3.07Å; L92-L95 WeakPolarHBondContact O-CB 3.16Å; L92-L95 PolarHBondContact O-N 3.37Å; L92-L96 HydrophobicContact CD1-CD1 3.69Å; L92-L96 HydrophobicContact CD1-CG 3.96Å; L92-L96 HydrophobicContact CG-CD1 3.91Å; L92-L96 HydrophobicContact CG-CG 4.49Å; L92-L96 WeakPolarHBondContact O-CG 3.07Å; L92-L96 PolarHBondContact O-N 3Å |
| 93 | E | 92.3 | Very high | 90 | Very high | 64 Ų | 64 | 91.3 Ų | 91.3 | 30% | 0.299 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 177.7 | -178.4 | -177 | -159.4 | 0 | 0 | 112.4 | F89 F90 G91 L95 L96 T97 I104 | F89-E93 WeakPolarHBondContact O-CB 3.41Å; F89-E93 PolarHBondContact O-N 3.38Å; F90-E93 PolarHBondContact O-N 2.91Å; G91-E93 VanDerWaalsContact C-N 3.31Å; G91-E93 PolarHBondContact O-N 3.23Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.34Å; E93-L96 PolarHBondContact O-N 2.8Å; E93-T97 WeakPolarHBondContact O-CB 3.38Å; E93-T97 PolarHBondContact O-N 3.1Å; E93-T97 PolarHBondContact O-OG1 3.37Å; E93-I104 VanDerWaalsContact CA-CD1 3.4Å; E93-I104 HydrophobicContact CB-CD1 3.98Å; E93-I104 HydrophobicContact CG-CD1 3.99Å |
| 94 | K | 93.1 | Very high | 89 | Confident | 106 Ų | 106 | 86.2 Ų | 86.2 | 46% | 0.461 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.6 | -170.8 | 177.8 | -179.1 | -175.3 | 0 | 112 | Y81 F90 G91 N98 | Y81-K94 HydrophobicContact CD1-CB 4.29Å; Y81-K94 HydrophobicContact CD1-CD 4.29Å; Y81-K94 HydrophobicContact CD1-CG 4.05Å; Y81-K94 HydrophobicContact CE1-CG 4.21Å; F90-K94 WeakPolarHBondContact O-CB 3.47Å; F90-K94 PolarHBondContact O-N 3.31Å; G91-K94 PolarHBondContact O-N 3.12Å; K94-N98 WeakPolarHBondContact O-CB 3.43Å; K94-N98 VanDerWaalsContact O-CG 3.31Å; K94-N98 PolarHBondContact O-N 2.84Å; K94-N98 VanDerWaalsContact O-N 3.11Å; K94-N98 PolarHBondContact O-ND2 3.05Å |
| 95 | L | 93.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 12% | 0.12 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.5 | -54.9 | 176.8 | 169.3 | 61.1 | 0 | 0 | 0 | 111 | L77 Y81 L87 G91 L92 E93 T97 N98 L99 | L77-L95 HydrophobicContact CD2-CD1 3.76Å; L77-L95 HydrophobicContact CD2-CD2 4.49Å; Y81-L95 HydrophobicContact CD1-CB 4.04Å; Y81-L95 HydrophobicContact CD2-CB 4.08Å; Y81-L95 HydrophobicContact CD2-CD1 3.63Å; Y81-L95 HydrophobicContact CD2-CG 4.34Å; Y81-L95 HydrophobicContact CE1-CB 4.44Å; Y81-L95 HydrophobicContact CE2-CB 4.44Å; Y81-L95 HydrophobicContact CE2-CD1 3.44Å; Y81-L95 VanDerWaalsContact CE2-CD1 3.44Å; Y81-L95 HydrophobicContact CG-CB 3.86Å; Y81-L95 HydrophobicContact CG-CD1 4.29Å; L87-L95 HydrophobicContact CD2-CD2 4.16Å; G91-L95 WeakPolarHBondContact O-CB 3.44Å; G91-L95 PolarHBondContact O-N 3.42Å; L92-L95 WeakPolarHBondContact O-CB 3.16Å; L92-L95 PolarHBondContact O-N 3.37Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.34Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3Å; L95-N98 PolarHBondContact O-N 2.95Å; L95-L99 HydrophobicContact CD1-CD1 3.79Å; L95-L99 HydrophobicContact CG-CD1 3.98Å; L95-L99 PolarHBondContact O-N 3.36Å; L95-L99 VanDerWaalsContact O-N 3.1Å |
| 96 | L | 91.4 | Very high | 87.5 | Confident | 47 Ų | 47 | 88.3 Ų | 88.3 | 25% | 0.246 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68.2 | -34.6 | -175.2 | -65.5 | 174.2 | 0 | 0 | 0 | 112.1 | L92 E93 N98 L99 G100 L101 I104 | L92-L96 HydrophobicContact CD1-CD1 3.69Å; L92-L96 HydrophobicContact CD1-CG 3.96Å; L92-L96 HydrophobicContact CG-CD1 3.91Å; L92-L96 HydrophobicContact CG-CG 4.49Å; L92-L96 WeakPolarHBondContact O-CG 3.07Å; L92-L96 PolarHBondContact O-N 3Å; E93-L96 PolarHBondContact O-N 2.8Å; L96-N98 PolarHBondContact O-N 3.26Å; L96-L99 HydrophobicContact CD2-CD1 4.31Å; L96-L99 WeakPolarHBondContact O-CB 3.44Å; L96-L99 PolarHBondContact O-N 3.27Å; L96-G100 PolarHBondContact O-N 3.48Å; L96-L101 HydrophobicContact CB-CB 4.47Å; L96-L101 HydrophobicContact CB-CD1 4.39Å; L96-L101 HydrophobicContact CD2-CD1 3.48Å; L96-L101 VanDerWaalsContact CD2-CD1 3.48Å; L96-L101 WeakPolarHBondContact O-CB 3.41Å; L96-L101 PolarHBondContact O-N 3.48Å; L96-L101 VanDerWaalsContact O-N 3.11Å; L96-I104 HydrophobicContact CB-CD1 3.65Å; L96-I104 HydrophobicContact CB-CG1 4.37Å; L96-I104 HydrophobicContact CD1-CD1 3.61Å; L96-I104 HydrophobicContact CD1-CG1 4.33Å; L96-I104 HydrophobicContact CG-CD1 4.19Å |
| 97 | T | 91.3 | Very high | 86.7 | Confident | 76 Ų | 76 | 84.1 Ų | 84.1 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 172.2 | -58 | 0 | 0 | 0 | 0 | 111.3 | E93 L95 L99 G100 | E93-T97 WeakPolarHBondContact O-CB 3.38Å; E93-T97 PolarHBondContact O-N 3.1Å; E93-T97 PolarHBondContact O-OG1 3.37Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3Å; T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 3.46Å; T97-G100 PolarHBondContact O-N 3.44Å |
| 98 | N | 91.8 | Very high | 85.9 | Confident | 102 Ų | 102 | 89.1 Ų | 89.1 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71 | -19.6 | 178.4 | -73.5 | -50.6 | 0 | 0 | 0 | 113.7 | Y81 K94 L95 L96 G100 | Y81-N98 WeakPolarHBondContact CE1-ND2 3.39Å; K94-N98 WeakPolarHBondContact O-CB 3.43Å; K94-N98 VanDerWaalsContact O-CG 3.31Å; K94-N98 PolarHBondContact O-N 2.84Å; K94-N98 VanDerWaalsContact O-N 3.11Å; K94-N98 PolarHBondContact O-ND2 3.05Å; L95-N98 PolarHBondContact O-N 2.95Å; L96-N98 PolarHBondContact O-N 3.26Å; N98-G100 VanDerWaalsContact C-N 3.25Å |
| 99 | L | 90.4 | Very high | 85 | Confident | 113 Ų | 113 | 92.5 Ų | 92.5 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.3 | 169.6 | -80.8 | 151.6 | 0 | 0 | 0 | 112.9 | L95 L96 T97 L101 | L95-L99 HydrophobicContact CD1-CD1 3.79Å; L95-L99 HydrophobicContact CG-CD1 3.98Å; L95-L99 PolarHBondContact O-N 3.36Å; L95-L99 VanDerWaalsContact O-N 3.1Å; L96-L99 HydrophobicContact CD2-CD1 4.31Å; L96-L99 WeakPolarHBondContact O-CB 3.44Å; L96-L99 PolarHBondContact O-N 3.27Å; T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 3.46Å; L99-L101 HydrophobicContact CB-CD1 3.96Å; L99-L101 HydrophobicContact CB-CG 4.07Å; L99-L101 HydrophobicContact CD1-CD1 4.37Å |
| 100 | G | 88 | Confident | 83.8 | Confident | 66 Ų | 66 | 92.9 Ų | 92.9 | 68% | 0.68 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 19.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L96 T97 N98 G102 | L96-G100 PolarHBondContact O-N 3.48Å; T97-G100 PolarHBondContact O-N 3.44Å; N98-G100 VanDerWaalsContact C-N 3.25Å; G100-G102 PolarHBondContact O-N 3.32Å |
| 101 | L | 86.4 | Confident | 82.6 | Confident | 122 Ų | 122 | 94.1 Ų | 94.1 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | trans | -81.4 | 7 | -178.4 | -66.2 | 167.8 | 0 | 0 | 0 | 113.9 | L96 L99 | L96-L101 HydrophobicContact CB-CB 4.47Å; L96-L101 HydrophobicContact CB-CD1 4.39Å; L96-L101 HydrophobicContact CD2-CD1 3.48Å; L96-L101 VanDerWaalsContact CD2-CD1 3.48Å; L96-L101 WeakPolarHBondContact O-CB 3.41Å; L96-L101 PolarHBondContact O-N 3.48Å; L96-L101 VanDerWaalsContact O-N 3.11Å; L99-L101 HydrophobicContact CB-CD1 3.96Å; L99-L101 HydrophobicContact CB-CG 4.07Å; L99-L101 HydrophobicContact CD1-CD1 4.37Å | ||
| 102 | G | 76.8 | Confident | 81.1 | Confident | 43 Ų | 43 | 101.3 Ų | 101.3 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | trans | 80.3 | -169.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G100 | G100-G102 PolarHBondContact O-N 3.32Š| ||
| 103 | E | 76.7 | Confident | 79.7 | Confident | 151 Ų | 151 | 105.6 Ų | 105.6 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -70.3 | 131.1 | 179.8 | -173.4 | -170 | -171.9 | 0 | 0 | 110.6 | K105 | E103-K105 WeakPolarHBondContact OE1-CE 3.35Å; E103-K105 IonicContact OE1-NZ 3.15Å; E103-K105 WeakPolarHBondContact OE2-CE 2.94Å; E103-K105 IonicContact OE2-NZ 2.73Å; E103-K105 PolarHBondContact OE2-NZ 3.36Å; E103-K105 VanDerWaalsContact OE2-NZ 3.15Å | ||
| 104 | I | 73.1 | Confident | 78.2 | Confident | 45 Ų | 45 | 108.3 Ų | 108.3 | 23% | 0.231 | 58% | 0.579 | C | S | . | * | trans | -93.9 | 126.2 | 178.6 | -59.4 | 166 | 0 | 0 | 0 | 108.8 | E93 L96 | E93-I104 VanDerWaalsContact CA-CD1 3.4Å; E93-I104 HydrophobicContact CB-CD1 3.98Å; E93-I104 HydrophobicContact CG-CD1 3.99Å; L96-I104 HydrophobicContact CB-CD1 3.65Å; L96-I104 HydrophobicContact CB-CG1 4.37Å; L96-I104 HydrophobicContact CD1-CD1 3.61Å; L96-I104 HydrophobicContact CD1-CG1 4.33Å; L96-I104 HydrophobicContact CG-CD1 4.19Å | ||
| 105 | K | 75.1 | Confident | 76.5 | Confident | 140 Ų | 140 | 106 Ų | 106 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | trans | -115.1 | 125.4 | 173.9 | -66.3 | -175.7 | -177.7 | 174.7 | 0 | 109.2 | E103 V107 | E103-K105 WeakPolarHBondContact OE1-CE 3.35Å; E103-K105 IonicContact OE1-NZ 3.15Å; E103-K105 WeakPolarHBondContact OE2-CE 2.94Å; E103-K105 IonicContact OE2-NZ 2.73Å; E103-K105 PolarHBondContact OE2-NZ 3.36Å; E103-K105 VanDerWaalsContact OE2-NZ 3.15Å; K105-V107 HydrophobicContact CB-CG2 4.33Å; K105-V107 PolarHBondContact O-N 3.05Å | ||
| 106 | V | 72.2 | Confident | 74.7 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | trans | -75.5 | 110.6 | 166.7 | -176.5 | 0 | 0 | 0 | 0 | 106.5 | F89 | F89-V106 HydrophobicContact CD2-CG2 4.4Å; F89-V106 HydrophobicContact CE2-CG2 3.37Å; F89-V106 HydrophobicContact CZ-CG2 3.54Å | ||
| 107 | V | 76.2 | Confident | 73 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | trans | -107.3 | 120.6 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 107 | K105 I109 | K105-V107 HydrophobicContact CB-CG2 4.33Å; K105-V107 PolarHBondContact O-N 3.05Å; V107-I109 PolarHBondContact O-N 3.47Å; V107-I109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | E | 74.3 | Confident | 71.4 | Confident | 162 Ų | 162 | 120.1 Ų | 120.1 | 76% | 0.757 | 65% | 0.649 | S | S | * | * | trans | -66.5 | 110.9 | 170.9 | -173.9 | 172.5 | -160.8 | 0 | 0 | 108 | N110 | E108-N110 PolarHBondContact O-N 3.43Š| ||
| 109 | I | 73.7 | Confident | 69.7 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | trans | -85.6 | 96.8 | 174.4 | -51.4 | 176.9 | 0 | 0 | 0 | 106.1 | V107 H111 | V107-I109 PolarHBondContact O-N 3.47Å; V107-I109 VanDerWaalsContact O-N 3.15Å; I109-H111 PolarHBondContact O-N 3.34Å | ||
| 110 | N | 66.1 | Low | 68.1 | Low | 120 Ų | 120 | 120.3 Ų | 120.3 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | trans | -63.7 | 104.5 | 167.4 | -78.3 | -37.5 | 0 | 0 | 0 | 107.9 | E108 E112 | E108-N110 PolarHBondContact O-N 3.43Å; N110-E112 PolarHBondContact O-N 3.3Å; N110-E112 VanDerWaalsContact O-N 3.09Å | ||
| 111 | H | 67.4 | Low | 66.6 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 78% | 0.778 | 66% | 0.66 | S | S | * | * | trans | -74.9 | 91.3 | 159.7 | -72 | 3.4 | 0 | 0 | 0 | 106.1 | I109 D113 | I109-H111 PolarHBondContact O-N 3.34Å; H111-D113 PolarHBondContact O-N 3.47Å | ||
| 112 | E | 63.2 | Low | 65.1 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 71% | 0.71 | 67% | 0.674 | S | S | * | * | trans | -52.8 | 128.1 | 156.6 | -60.4 | 179.8 | -156.1 | 0 | 0 | 105.8 | N110 L114 | N110-E112 PolarHBondContact O-N 3.3Å; N110-E112 VanDerWaalsContact O-N 3.09Å; E112-L114 HydrophobicContact CB-CD1 4.25Å; E112-L114 PolarHBondContact O-N 3.4Å | ||
| 113 | D | 61.5 | Low | 63.7 | Low | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | trans | -66.4 | 60.9 | 179.5 | -170.7 | 30.5 | 0 | 0 | 0 | 110 | H111 G115 | H111-D113 PolarHBondContact O-N 3.47Å; D113-G115 PolarHBondContact O-N 3.17Å | ||
| 114 | L | 59.5 | Low | 62.6 | Low | 120 Ų | 120 | 130.3 Ų | 130.3 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | trans | -70.6 | 84.4 | 164.3 | -86.3 | 144.8 | 0 | 0 | 0 | 104.4 | E112 H116 | E112-L114 HydrophobicContact CB-CD1 4.25Å; E112-L114 PolarHBondContact O-N 3.4Å; L114-H116 VanDerWaalsContact C-N 3.25Å; L114-H116 PolarHBondContact O-N 3.04Å | ||
| 115 | G | 57.7 | Low | 61.5 | Low | 59 Ų | 59 | 136.7 Ų | 136.7 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | trans | -50.4 | 88.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D113 | D113-G115 PolarHBondContact O-N 3.17Š| ||
| 116 | H | 56.6 | Low | 60.5 | Low | 129 Ų | 129 | 133.4 Ų | 133.4 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | trans | -135 | 94.6 | 177.1 | -66.5 | -33.9 | 0 | 0 | 0 | 107.5 | L114 H118 | L114-H116 VanDerWaalsContact C-N 3.25Å; L114-H116 PolarHBondContact O-N 3.04Å; H116-H118 PolarHBondContact O-CD2 2.91Å; H116-H118 PolarHBondContact O-N 2.93Å | ||
| 117 | D | 55 | Low | 59.7 | Low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -7.1 | 66.4 | 144.8 | -161.5 | 24.2 | 0 | 0 | 0 | 116.5 | ||||
| 118 | H | 58.4 | Low | 58.5 | Low | 158 Ų | 158 | 136 Ų | 136 | 73% | 0.731 | 73% | 0.726 | S | S | * | * | trans | -123.6 | 37.4 | 171.4 | -64 | -43.2 | 0 | 0 | 0 | 111.1 | H116 S120 | H116-H118 PolarHBondContact O-CD2 2.91Å; H116-H118 PolarHBondContact O-N 2.93Å; H118-S120 PolarHBondContact O-N 3.24Å; H118-S120 VanDerWaalsContact O-N 3.12Å | ||
| 119 | V | 55.8 | Low | 57.3 | Low | 144 Ų | 144 | 137.1 Ų | 137.1 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | trans | -83.1 | 43.2 | 168.4 | -166.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 120 | S | 55.7 | Low | 56.3 | Low | 76 Ų | 76 | 133.5 Ų | 133.5 | 53% | 0.531 | 73% | 0.726 | S | S | . | * | trans | -144.5 | 104.4 | 162.5 | 52.3 | 0 | 0 | 0 | 0 | 105.5 | H118 | H118-S120 PolarHBondContact O-N 3.24Å; H118-S120 VanDerWaalsContact O-N 3.12Å | ||
| 121 | H | 58.1 | Low | 55.6 | Low | 141 Ų | 141 | 136.5 Ų | 136.5 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | S | Bend | -171.3 | 38 | 95.3 | -81.7 | -66.2 | 0 | 0 | 0 | 112.4 | D123 I124 | H121-D123 VanDerWaalsContact C-N 3.29Å; H121-I124 HydrophobicContact CB-CD1 4.44Å | |
| 122 | L | 54.6 | Low | 54.6 | Low | 176 Ų | 176 | 134.7 Ų | 134.7 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 24.4 | 167.6 | -82 | 172.6 | 0 | 0 | 0 | 113.5 | ||
| 123 | D | 47.9 | Very low | 53.6 | Low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 1.8 | 169 | -93.8 | -15.4 | 0 | 0 | 0 | 113.8 | H121 L125 | H121-D123 VanDerWaalsContact C-N 3.29Å; D123-L125 PolarHBondContact O-N 3.02Å; D123-L125 VanDerWaalsContact O-N 3.1Å |
| 124 | I | 52 | Low | 52.9 | Low | 129 Ų | 129 | 135.6 Ų | 135.6 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 42.2 | 177.3 | -42.3 | 177.2 | 0 | 0 | 0 | 111.2 | H121 | H121-I124 HydrophobicContact CB-CD1 4.44Š|
| 125 | L | 51.4 | Low | 52.3 | Low | 178 Ų | 178 | 135.3 Ų | 135.3 | 93% | 0.932 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | 25.5 | 162.1 | -70.6 | 179.6 | 0 | 0 | 0 | 111.4 | D123 | D123-L125 PolarHBondContact O-N 3.02Å; D123-L125 VanDerWaalsContact O-N 3.1Å |
| 126 | A | 52.4 | Low | 51.8 | Low | 72 Ų | 72 | 140.3 Ų | 140.3 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -127.2 | 108.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 127 | V | 57.2 | Low | 51.4 | Low | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 53.1 | 99 | 149.9 | -173.5 | 0 | 0 | 0 | 0 | 116.8 | E129 | V127-E129 HydrophobicContact CG1-CB 4.13Š| ||
| 128 | Q | 49.9 | Very low | 51.1 | Low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -119.3 | 65.7 | 147.2 | -150.4 | 175.2 | 61.7 | 0 | 0 | 109.7 | G130 H132 | Q128-G130 PolarHBondContact O-N 3.2Å; Q128-H132 PolarHBondContact OE1-CE1 2.84Å; Q128-H132 PolarHBondContact OE1-NE2 3.39Å | ||
| 129 | E | 48.4 | Very low | 50.7 | Low | 184 Ų | 184 | 140.6 Ų | 140.6 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -72.2 | 109.1 | 159.5 | -174.4 | 173.5 | -161 | 0 | 0 | 107.7 | V127 | V127-E129 HydrophobicContact CG1-CB 4.13Š| ||
| 130 | G | 53.6 | Low | 50.4 | Low | 54 Ų | 54 | 141.4 Ų | 141.4 | 56% | 0.557 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 103.2 | 118.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q128 | Q128-G130 PolarHBondContact O-N 3.2Š|
| 131 | K | 52.3 | Low | 50 | Low | 183 Ų | 183 | 146.4 Ų | 146.4 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 86.2 | 79.4 | 151.9 | -52.2 | 173.4 | -173.1 | 176 | 0 | 116.8 | F133 | K131-F133 HydrophobicContact CB-CD2 4.29Å; K131-F133 HydrophobicContact CB-CE2 4.4Å; K131-F133 HydrophobicContact CG-CE2 4.37Å | ||
| 132 | H | 46 | Very low | 49.6 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 61% | 0.606 | 76% | 0.755 | S | S | * | * | trans | -93.7 | 103.1 | 147.2 | -71.5 | -78.8 | 0 | 0 | 0 | 108.7 | Q128 | Q128-H132 PolarHBondContact OE1-CE1 2.84Å; Q128-H132 PolarHBondContact OE1-NE2 3.39Å | ||
| 133 | F | 42.6 | Very low | 48.9 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -93.3 | 114.3 | 163.4 | -82.2 | -91.7 | 0 | 0 | 0 | 107.7 | K131 | K131-F133 HydrophobicContact CB-CD2 4.29Å; K131-F133 HydrophobicContact CB-CE2 4.4Å; K131-F133 HydrophobicContact CG-CE2 4.37Å | ||
| 134 | H | 46.3 | Very low | 48.5 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | trans | -96 | 103.7 | 169 | -65.9 | -72.6 | 0 | 0 | 0 | 109.2 | H136 | H134-H136 PolarHBondContact O-N 3.01Š| ||
| 135 | S | 46.8 | Very low | 48.3 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -80.6 | 101.6 | 159.9 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 136 | H | 47.5 | Very low | 48.1 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -87.5 | 102.3 | 165.6 | -72.2 | -73.4 | 0 | 0 | 0 | 108.4 | H134 | H134-H136 PolarHBondContact O-N 3.01Š| ||
| 137 | T | 47.5 | Very low | 47.9 | Very low | 107 Ų | 107 | 157.3 Ų | 157.3 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -138.4 | 92.4 | 155.3 | -59.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 138 | H | 49.1 | Very low | 47.3 | Very low | 177 Ų | 177 | 159.1 Ų | 159.1 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -131.1 | 91.3 | 150.2 | -90.3 | -75 | 0 | 0 | 0 | 107.2 | H140 | H138-H140 PolarHBondContact O-N 3.4Š| ||
| 139 | Q | 49.8 | Very low | 47.2 | Very low | 164 Ų | 164 | 159.4 Ų | 159.4 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -69.7 | 107.4 | 157.5 | -74.5 | -176.2 | -18 | 0 | 0 | 107.1 | ||||
| 140 | H | 50 | Low | 47.1 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -89.1 | 113.2 | 158.4 | -96.3 | -78.6 | 0 | 0 | 0 | 107.6 | H138 | H138-H140 PolarHBondContact O-N 3.4Š| ||
| 141 | F | 46 | Very low | 46.6 | Very low | 181 Ų | 181 | 165.1 Ų | 165.1 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -105.4 | 140.9 | 157 | -89.2 | -83.1 | 0 | 0 | 0 | 109.4 | ||||
| 142 | H | 50.8 | Low | 46.2 | Very low | 180 Ų | 180 | 163.8 Ų | 163.8 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -73.2 | 157.9 | -164.2 | -75.2 | -91.5 | 0 | 0 | 0 | 115.2 | ||||
| 143 | N | 39.9 | Very low | 46.2 | Very low | 165 Ų | 165 | 166.5 Ų | 166.5 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -41.2 | 140.8 | 165.3 | -86.3 | -4.7 | 0 | 0 | 0 | 114.5 | ||||
| 144 | H | 38.3 | Very low | 46.5 | Very low | 255 Ų | 255 | 164.3 Ų | 164.3 | 100% | 1.181 | 81% | 0.807 | S | S | * | * | -161.3 | 0 | 104.8 | -149.2 | -58.1 | 0 | 0 | 0 | 111.5 |
Retrieved 144 of 144 residues in 193.1 ms
(Link to these results)