| 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 | 51.2 | Low | 78.3 | Confident | 247 Ų | 247 | 144.3 Ų | 144.3 | 100% | 1.217 | 66% | 0.661 | S | S | * | * | 0 | 113.7 | 0 | -75.4 | -173.5 | 171.4 | 0 | 0 | 109.1 | |||||
| 2 | Q | 65.5 | Low | 78.9 | Confident | 141 Ų | 141 | 146.1 Ų | 146.1 | 66% | 0.659 | 67% | 0.666 | S | S | * | * | trans | -71.6 | 140.1 | 177.6 | -74 | 175.4 | -9.3 | 0 | 0 | 111 | ||||
| 3 | S | 78.1 | Confident | 79.6 | Confident | 55 Ų | 55 | 146.1 Ų | 146.1 | 39% | 0.385 | 66% | 0.664 | S | S | . | * | trans | -64.6 | 152.2 | -177.9 | 83.5 | 0 | 0 | 0 | 0 | 111.6 | A5 D6 R7 | S3-A5 PolarHBondContact O-N 3Å; S3-A5 VanDerWaalsContact O-N 3.13Å; S3-A5 PolarHBondContact OG-N 2.91Å; S3-D6 WeakPolarHBondContact CB-OD2 3.49Å; S3-D6 PolarHBondContact O-N 3.5Å; S3-D6 VanDerWaalsContact OG-CG 3.25Å; S3-D6 PolarHBondContact OG-N 2.93Å; S3-D6 PolarHBondContact OG-OD2 2.92Å; S3-R7 PolarHBondContact O-N 3.34Å | ||
| 4 | R | 79.6 | Confident | 80.2 | Confident | 234 Ų | 234 | 148.4 Ų | 148.4 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -57.7 | -27.1 | 175.8 | -131.9 | 176.8 | 177.6 | -173.6 | -0 | 112.1 | K8 | R4-K8 PolarHBondContact O-N 3.31Å |
| 5 | A | 80.5 | Confident | 80.7 | Confident | 67 Ų | 67 | 148 Ų | 148 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.5 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S3 K8 R9 | S3-A5 PolarHBondContact O-N 3Å; S3-A5 VanDerWaalsContact O-N 3.13Å; S3-A5 PolarHBondContact OG-N 2.91Å; A5-K8 PolarHBondContact O-N 3.37Å; A5-R9 PolarHBondContact O-N 3.5Å |
| 6 | D | 83 | Confident | 81.1 | Confident | 80 Ų | 80 | 149.2 Ų | 149.2 | 43% | 0.428 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.9 | -43.4 | 178.3 | -64.3 | -46.5 | 0 | 0 | 0 | 111.5 | S3 K8 R9 E10 | S3-D6 WeakPolarHBondContact CB-OD2 3.49Å; S3-D6 PolarHBondContact O-N 3.5Å; S3-D6 VanDerWaalsContact OG-CG 3.25Å; S3-D6 PolarHBondContact OG-N 2.93Å; S3-D6 PolarHBondContact OG-OD2 2.92Å; D6-K8 VanDerWaalsContact C-N 3.31Å; D6-K8 PolarHBondContact O-N 2.98Å; D6-R9 PolarHBondContact O-N 3.48Å; D6-R9 VanDerWaalsContact O-N 3.12Å; D6-E10 WeakPolarHBondContact O-CB 3.46Å; D6-E10 PolarHBondContact O-N 3.37Å |
| 7 | R | 83.6 | Confident | 81.5 | Confident | 175 Ų | 175 | 148.7 Ų | 148.7 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -58.5 | -38.9 | 172.8 | -101.6 | 179.6 | 154.7 | -166.9 | -5.1 | 112.9 | S3 K11 | S3-R7 PolarHBondContact O-N 3.34Å; R7-K11 WeakPolarHBondContact O-CB 3.44Å; R7-K11 WeakPolarHBondContact O-CG 3.33Å; R7-K11 PolarHBondContact O-N 3.36Å; R7-K11 VanDerWaalsContact O-N 3.08Å |
| 8 | K | 83.3 | Confident | 81.9 | Confident | 166 Ų | 166 | 149 Ų | 149 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.3 | -40.6 | 174.7 | -92.3 | -174.5 | 175.7 | 179.6 | 0 | 111.8 | R4 A5 D6 K12 | R4-K8 PolarHBondContact O-N 3.31Å; A5-K8 PolarHBondContact O-N 3.37Å; D6-K8 VanDerWaalsContact C-N 3.31Å; D6-K8 PolarHBondContact O-N 2.98Å; K8-K12 WeakPolarHBondContact O-CB 3.4Å; K8-K12 PolarHBondContact O-N 2.91Å |
| 9 | R | 85.2 | Confident | 82.2 | Confident | 175 Ų | 175 | 148.3 Ų | 148.3 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.1 | -39.5 | 179.6 | -159.6 | 175.9 | -175.8 | -170.9 | 1.3 | 111.4 | A5 D6 K12 K13 | A5-R9 PolarHBondContact O-N 3.5Å; D6-R9 PolarHBondContact O-N 3.48Å; D6-R9 VanDerWaalsContact O-N 3.12Å; R9-K12 PolarHBondContact O-N 3.44Å; R9-K13 PolarHBondContact O-N 2.9Å |
| 10 | E | 85.9 | Confident | 82.5 | Confident | 88 Ų | 88 | 151.1 Ų | 151.1 | 41% | 0.411 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.4 | -44 | 176.5 | -159.6 | -175.2 | 169.1 | 0 | 0 | 112.2 | D6 K12 K13 R14 | D6-E10 WeakPolarHBondContact O-CB 3.46Å; D6-E10 PolarHBondContact O-N 3.37Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 3.48Å; E10-K13 PolarHBondContact O-N 3.37Å; E10-R14 PolarHBondContact O-N 2.96Å |
| 11 | K | 85.5 | Confident | 82.7 | Confident | 159 Ų | 159 | 148.6 Ų | 148.6 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -57.4 | -41.3 | 171.5 | -79.9 | -173.7 | 176.4 | -171.9 | 0 | 112 | R7 R14 Y15 | R7-K11 WeakPolarHBondContact O-CB 3.44Å; R7-K11 WeakPolarHBondContact O-CG 3.33Å; R7-K11 PolarHBondContact O-N 3.36Å; R7-K11 VanDerWaalsContact O-N 3.08Å; K11-R14 PolarHBondContact O-N 2.87Å; K11-Y15 WeakPolarHBondContact O-CB 3.5Å; K11-Y15 PolarHBondContact O-N 2.92Å |
| 12 | K | 85.9 | Confident | 84.2 | Confident | 166 Ų | 166 | 142.4 Ų | 142.4 | 72% | 0.722 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.7 | -36.5 | 178.3 | -147.8 | 173.9 | -172.1 | 178 | 0 | 112.2 | K8 R9 E10 K16 | K8-K12 WeakPolarHBondContact O-CB 3.4Å; K8-K12 PolarHBondContact O-N 2.91Å; R9-K12 PolarHBondContact O-N 3.44Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 3.48Å; K12-K16 WeakPolarHBondContact O-CB 3.43Å; K12-K16 PolarHBondContact O-N 3.37Å; K12-K16 VanDerWaalsContact O-N 3.14Å |
| 13 | K | 87.4 | Confident | 85 | Confident | 146 Ų | 146 | 144.1 Ų | 144.1 | 64% | 0.635 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.3 | -47.1 | 172.5 | -79.7 | -175.7 | 176.5 | -177.8 | 0 | 111.7 | R9 E10 Y15 K16 K17 | R9-K13 PolarHBondContact O-N 2.9Å; E10-K13 PolarHBondContact O-N 3.37Å; K13-Y15 PolarHBondContact O-N 3.37Å; K13-K16 PolarHBondContact O-N 2.92Å; K13-K17 PolarHBondContact O-N 2.73Å |
| 14 | R | 88.2 | Confident | 85.3 | Confident | 179 Ų | 179 | 144.6 Ų | 144.6 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60 | -43.6 | 176.4 | -77 | -172.5 | 179.8 | -157.7 | 0.4 | 112.3 | E10 K11 K16 K17 R18 | E10-R14 PolarHBondContact O-N 2.96Å; K11-R14 PolarHBondContact O-N 2.87Å; R14-K16 PolarHBondContact O-N 3.42Å; R14-K17 PolarHBondContact O-N 2.98Å; R14-R18 PolarHBondContact O-N 2.9Å |
| 15 | Y | 87.3 | Confident | 85.3 | Confident | 142 Ų | 142 | 136.2 Ų | 136.2 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.5 | -40.8 | 175.8 | -178.9 | -99.6 | 0 | 0 | 0 | 112.6 | K11 K13 R19 | K11-Y15 WeakPolarHBondContact O-CB 3.5Å; K11-Y15 PolarHBondContact O-N 2.92Å; K13-Y15 PolarHBondContact O-N 3.37Å; Y15-R19 WeakPolarHBondContact O-CB 3.44Å; Y15-R19 PolarHBondContact O-N 3.12Å; Y15-R19 VanDerWaalsContact O-N 3.13Å |
| 16 | K | 87.2 | Confident | 85.2 | Confident | 167 Ų | 167 | 142.6 Ų | 142.6 | 73% | 0.726 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69 | -34.4 | 178.7 | -143.6 | 177.9 | -173.4 | -174.9 | 0 | 112.4 | K12 K13 R14 R20 | K12-K16 WeakPolarHBondContact O-CB 3.43Å; K12-K16 PolarHBondContact O-N 3.37Å; K12-K16 VanDerWaalsContact O-N 3.14Å; K13-K16 PolarHBondContact O-N 2.92Å; R14-K16 PolarHBondContact O-N 3.42Å; K16-R20 PolarHBondContact O-N 3.21Å |
| 17 | K | 88.8 | Confident | 84.8 | Confident | 141 Ų | 141 | 147.5 Ų | 147.5 | 61% | 0.613 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.8 | -51.7 | 173.9 | -171.5 | 179.1 | 176.3 | -173.6 | 0 | 111.1 | K13 R14 R19 R20 E21 | K13-K17 PolarHBondContact O-N 2.73Å; R14-K17 PolarHBondContact O-N 2.98Å; K17-R19 VanDerWaalsContact C-N 3.3Å; K17-R19 PolarHBondContact O-N 3.43Å; K17-R20 WeakPolarHBondContact O-CB 3.36Å; K17-R20 PolarHBondContact O-N 3.45Å; K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 PolarHBondContact O-N 3.07Å |
| 18 | R | 88.9 | Confident | 84.3 | Confident | 154 Ų | 154 | 144.1 Ų | 144.1 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.2 | -38.2 | 178.9 | -161.3 | 178 | 81.2 | -175.5 | 7.4 | 113.1 | R14 R20 Q22 | R14-R18 PolarHBondContact O-N 2.9Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 2.92Å; R18-Q22 PolarHBondContact O-N 3.23Å |
| 19 | R | 87.6 | Confident | 83.7 | Confident | 135 Ų | 135 | 138.6 Ų | 138.6 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.3 | -27.3 | 176.7 | -172.4 | 177.3 | 163.4 | -173.1 | -3.4 | 113.1 | Y15 K17 R23 | Y15-R19 WeakPolarHBondContact O-CB 3.44Å; Y15-R19 PolarHBondContact O-N 3.12Å; Y15-R19 VanDerWaalsContact O-N 3.13Å; K17-R19 VanDerWaalsContact C-N 3.3Å; K17-R19 PolarHBondContact O-N 3.43Å; R19-R23 PolarHBondContact O-N 2.98Å |
| 20 | R | 86.9 | Confident | 82.6 | Confident | 205 Ų | 205 | 136 Ų | 136 | 77% | 0.774 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.8 | -41.4 | 176.6 | -150.4 | 177.7 | -174.9 | -179 | 0.3 | 110.4 | K16 K17 R18 R23 S24 | K16-R20 PolarHBondContact O-N 3.21Å; K17-R20 WeakPolarHBondContact O-CB 3.36Å; K17-R20 PolarHBondContact O-N 3.45Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 2.92Å; R20-R23 PolarHBondContact O-N 3.25Å; R20-S24 PolarHBondContact O-N 3.07Å |
| 21 | E | 87 | Confident | 81.3 | Confident | 98 Ų | 98 | 136 Ų | 136 | 46% | 0.458 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.1 | -43.7 | 173.1 | -72.4 | 162.9 | 179.9 | 0 | 0 | 112.1 | K17 R23 S24 A25 | K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 PolarHBondContact O-N 3.07Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 3.44Å; E21-S24 PolarHBondContact O-N 2.86Å; E21-S24 PolarHBondContact O-OG 3.18Å; E21-A25 WeakPolarHBondContact O-CB 3.48Å; E21-A25 PolarHBondContact O-N 3.47Å |
| 22 | Q | 83.7 | Confident | 80 | Confident | 118 Ų | 118 | 134 Ų | 134 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.8 | -32.3 | 173.7 | -84.1 | -177 | -11 | 0 | 0 | 113.3 | R18 R26 | R18-Q22 PolarHBondContact O-N 3.23Å; Q22-R26 WeakPolarHBondContact O-CB 3.39Å; Q22-R26 WeakPolarHBondContact O-CG 3.5Å; Q22-R26 PolarHBondContact O-N 2.89Å |
| 23 | R | 82 | Confident | 78.6 | Confident | 176 Ų | 176 | 132 Ų | 132 | 66% | 0.664 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.2 | -35.3 | 176.4 | -93.5 | -176.8 | 157.3 | -163.7 | -7.6 | 112.7 | R19 R20 E21 R27 | R19-R23 PolarHBondContact O-N 2.98Å; R20-R23 PolarHBondContact O-N 3.25Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 3.44Å; R23-R27 WeakPolarHBondContact O-CB 3.49Å; R23-R27 PolarHBondContact O-N 2.94Å; R23-R27 VanDerWaalsContact O-N 3.13Å |
| 24 | S | 83.1 | Confident | 77 | Confident | 65 Ų | 65 | 128.1 Ų | 128.1 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.2 | -41.1 | 173.8 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | R20 E21 R26 R27 N28 | R20-S24 PolarHBondContact O-N 3.07Å; E21-S24 PolarHBondContact O-N 2.86Å; E21-S24 PolarHBondContact O-OG 3.18Å; S24-R26 PolarHBondContact O-N 3.27Å; S24-R27 PolarHBondContact O-N 2.98Å; S24-R27 VanDerWaalsContact O-N 3.12Å; S24-N28 PolarHBondContact O-N 2.86Å |
| 25 | A | 81.3 | Confident | 75 | Confident | 59 Ų | 59 | 125.5 Ų | 125.5 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.8 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E21 R27 N28 A29 | E21-A25 WeakPolarHBondContact O-CB 3.48Å; E21-A25 PolarHBondContact O-N 3.47Å; A25-R27 VanDerWaalsContact C-N 3.31Å; A25-R27 PolarHBondContact O-N 3.48Å; A25-N28 PolarHBondContact O-N 3.41Å; A25-A29 WeakPolarHBondContact O-CB 3.36Å; A25-A29 PolarHBondContact O-N 2.89Å |
| 26 | R | 77.5 | Confident | 73.2 | Confident | 201 Ų | 201 | 125.5 Ų | 125.5 | 76% | 0.758 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.9 | -29.2 | 173.5 | -82.3 | -174.9 | 163.7 | -161.1 | -4.2 | 114 | Q22 S24 N30 | Q22-R26 WeakPolarHBondContact O-CB 3.39Å; Q22-R26 WeakPolarHBondContact O-CG 3.5Å; Q22-R26 PolarHBondContact O-N 2.89Å; S24-R26 PolarHBondContact O-N 3.27Å; R26-N30 WeakPolarHBondContact O-CB 3.42Å; R26-N30 PolarHBondContact O-N 3.34Å |
| 27 | R | 74.4 | Confident | 71.1 | Confident | 183 Ų | 183 | 126.4 Ų | 126.4 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.8 | -40.6 | 177.6 | -178.2 | 176.9 | 158.6 | 176.3 | -6.5 | 111.1 | R23 S24 A25 N30 L31 | R23-R27 WeakPolarHBondContact O-CB 3.49Å; R23-R27 PolarHBondContact O-N 2.94Å; R23-R27 VanDerWaalsContact O-N 3.13Å; S24-R27 PolarHBondContact O-N 2.98Å; S24-R27 VanDerWaalsContact O-N 3.12Å; A25-R27 VanDerWaalsContact C-N 3.31Å; A25-R27 PolarHBondContact O-N 3.48Å; R27-N30 PolarHBondContact O-N 2.85Å; R27-L31 HydrophobicContact CG-CD1 4.25Å; R27-L31 WeakPolarHBondContact O-CD1 3.49Å; R27-L31 PolarHBondContact O-N 3.45Å |
| 28 | N | 72.8 | Confident | 68.7 | Low | 103 Ų | 103 | 129.2 Ų | 129.2 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.6 | -40.1 | 175.1 | -74.8 | 15.5 | 0 | 0 | 0 | 111.6 | S24 A25 N30 L31 D32 | S24-N28 PolarHBondContact O-N 2.86Å; A25-N28 PolarHBondContact O-N 3.41Å; N28-N30 VanDerWaalsContact C-N 3.28Å; N28-N30 PolarHBondContact O-N 2.96Å; N28-L31 PolarHBondContact O-N 3.34Å; N28-D32 PolarHBondContact O-N 3.33Å; N28-D32 VanDerWaalsContact O-N 3.1Å |
| 29 | A | 70.5 | Confident | 66.3 | Low | 50 Ų | 50 | 125.6 Ų | 125.6 | 41% | 0.413 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.8 | -30.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A25 L33 | A25-A29 WeakPolarHBondContact O-CB 3.36Å; A25-A29 PolarHBondContact O-N 2.89Å; A29-L33 WeakPolarHBondContact O-CD1 3.29Å; A29-L33 WeakPolarHBondContact O-CG 3.18Å; A29-L33 PolarHBondContact O-N 2.93Å |
| 30 | N | 62.1 | Low | 63.9 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.5 | -12.3 | 174.1 | -94.4 | 9.9 | 0 | 0 | 0 | 113.8 | R26 R27 N28 S34 | R26-N30 WeakPolarHBondContact O-CB 3.42Å; R26-N30 PolarHBondContact O-N 3.34Å; R27-N30 PolarHBondContact O-N 2.85Å; N28-N30 VanDerWaalsContact C-N 3.28Å; N28-N30 PolarHBondContact O-N 2.96Å; N30-S34 PolarHBondContact O-OG 3.32Å |
| 31 | L | 59.9 | Low | 61.5 | Low | 89 Ų | 89 | 125.7 Ų | 125.7 | 47% | 0.466 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -86.8 | -39.6 | 173.7 | -82.2 | 155.4 | 0 | 0 | 0 | 110.3 | R27 N28 L33 S34 | R27-L31 HydrophobicContact CG-CD1 4.25Å; R27-L31 WeakPolarHBondContact O-CD1 3.49Å; R27-L31 PolarHBondContact O-N 3.45Å; N28-L31 PolarHBondContact O-N 3.34Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.49Å; L31-S34 PolarHBondContact O-N 2.84Å; L31-S34 PolarHBondContact O-OG 2.9Å |
| 32 | D | 57.3 | Low | 59.2 | Low | 118 Ų | 118 | 129 Ų | 129 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.2 | -32.8 | 174 | -79.2 | -17.6 | 0 | 0 | 0 | 112.7 | N28 S34 | N28-D32 PolarHBondContact O-N 3.33Å; N28-D32 VanDerWaalsContact O-N 3.1Å; D32-S34 VanDerWaalsContact C-N 3.26Å; D32-S34 PolarHBondContact O-N 2.95Å |
| 33 | L | 56.9 | Low | 57 | Low | 122 Ų | 122 | 126.6 Ų | 126.6 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.7 | -8.2 | 177.7 | -76.1 | 164.5 | 0 | 0 | 0 | 114.3 | A29 L31 | A29-L33 WeakPolarHBondContact O-CD1 3.29Å; A29-L33 WeakPolarHBondContact O-CG 3.18Å; A29-L33 PolarHBondContact O-N 2.93Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.49Å |
| 34 | S | 52.9 | Low | 54.9 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -97.1 | -13.8 | 178.1 | 42 | 0 | 0 | 0 | 0 | 114.3 | N30 L31 D32 | N30-S34 PolarHBondContact O-OG 3.32Å; L31-S34 PolarHBondContact O-N 2.84Å; L31-S34 PolarHBondContact O-OG 2.9Å; D32-S34 VanDerWaalsContact C-N 3.26Å; D32-S34 PolarHBondContact O-N 2.95Å |
| 35 | D | 47.6 | Very low | 52.7 | Low | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -93.3 | -18.9 | 178.1 | -75.4 | -32 | 0 | 0 | 0 | 113.1 | K37 | D35-K37 PolarHBondContact O-N 3.48Å |
| 36 | D | 48.1 | Very low | 50.8 | Low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 13.1 | 179.6 | -79.7 | -24.8 | 0 | 0 | 0 | 115.4 | ||
| 37 | K | 44.4 | Very low | 48.8 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 21.5 | 177.1 | -74.2 | -169.2 | 175.2 | -171.3 | 0 | 114.6 | D35 | D35-K37 PolarHBondContact O-N 3.48Š|
| 38 | K | 38.8 | Very low | 47.1 | Very low | 200 Ų | 200 | 125.1 Ų | 125.1 | 87% | 0.87 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -113.1 | 16.1 | 175.8 | -81.7 | -170.6 | 174 | -175.6 | 0 | 114.7 | ||
| 39 | A | 37.7 | Very low | 45.4 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -121.5 | 134.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 40 | I | 36.7 | Very low | 43.9 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 86% | 0.862 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 98.2 | 81.2 | 179.9 | -47.8 | 154.7 | 0 | 0 | 0 | 113.8 | ||
| 41 | E | 36.3 | Very low | 43 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | 164.8 | 110.6 | 129.2 | -96.3 | 179.7 | 167.3 | 0 | 0 | 107.8 | |||||
| 42 | D | 40.4 | Very low | 42.2 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | -176.3 | 121.7 | 128.9 | -91.2 | -25.1 | 0 | 0 | 0 | 111.1 | |||||
| 43 | G | 36.8 | Very low | 41.6 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 172.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 44 | P | 37.6 | Very low | 41.3 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 143.1 | -150 | 32.6 | -34.2 | 0 | 0 | 0 | 114.1 | ||
| 45 | A | 37.1 | Very low | 41.2 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 139.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 46 | S | 40.7 | Very low | 41.8 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -90.5 | 114.9 | 155.8 | 52.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 47 | D | 35.1 | Very low | 42.3 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | 94.2 | 97.3 | 86.6 | -162.4 | 25 | 0 | 0 | 0 | 110.8 | |||||
| 48 | D | 40.2 | Very low | 42.8 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -177.4 | 96.4 | 139.6 | -100.6 | -24.2 | 0 | 0 | 0 | 108.5 | ||||
| 49 | S | 37.1 | Very low | 43.9 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | -112.3 | 121.4 | -173.8 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 50 | L | 38 | Very low | 45.2 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -159.7 | 97 | 151.7 | -77.5 | -174.5 | 0 | 0 | 0 | 108.6 | ||||
| 51 | D | 42.5 | Very low | 46.8 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | 176.6 | 78 | 150.7 | -84.9 | -24.1 | 0 | 0 | 0 | 106.8 | ||||
| 52 | E | 43.7 | Very low | 48.3 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -86.2 | 114.7 | 176.4 | -71.2 | -178.6 | 164.4 | 0 | 0 | 110.2 | I54 | E52-I54 PolarHBondContact O-N 2.93Å; E52-I54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | D | 44.8 | Very low | 49.4 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -63.9 | 101.6 | 164.8 | -74.6 | -44.2 | 0 | 0 | 0 | 109.5 | E55 | D53-E55 PolarHBondContact O-N 2.99Š| ||
| 54 | I | 50.1 | Low | 51.1 | Low | 144 Ų | 144 | 145.5 Ų | 145.5 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -76.9 | 98.7 | 174.2 | -57.7 | 164 | 0 | 0 | 0 | 108.4 | E52 V56 | E52-I54 PolarHBondContact O-N 2.93Å; E52-I54 VanDerWaalsContact O-N 3.13Å; I54-V56 HydrophobicContact CG2-CG2 3.93Å; I54-V56 PolarHBondContact O-N 3.26Å | ||
| 55 | E | 52.2 | Low | 52.6 | Low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -71.8 | 103.1 | 165.2 | -80.7 | -176.4 | 157.9 | 0 | 0 | 109.5 | D53 E57 | D53-E55 PolarHBondContact O-N 2.99Å; E55-E57 PolarHBondContact O-N 3.07Å | ||
| 56 | V | 60.5 | Low | 54.5 | Low | 114 Ų | 114 | 144.7 Ų | 144.7 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -82.6 | 103.7 | 173.9 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | I54 Y58 | I54-V56 HydrophobicContact CG2-CG2 3.93Å; I54-V56 PolarHBondContact O-N 3.26Å; V56-Y58 PolarHBondContact O-N 3.17Å | ||
| 57 | E | 57.4 | Low | 56.3 | Low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -80.6 | 111.4 | 171.4 | -153.2 | 174.5 | -156.7 | 0 | 0 | 109.4 | E55 I59 | E55-E57 PolarHBondContact O-N 3.07Å; E57-I59 PolarHBondContact O-N 3.44Å; E57-I59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | Y | 55.2 | Low | 58.5 | Low | 211 Ų | 211 | 141.4 Ų | 141.4 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -78.8 | 96.5 | -179.2 | -131.9 | -91 | 0 | 0 | 0 | 109.6 | V56 T60 | V56-Y58 PolarHBondContact O-N 3.17Å; Y58-T60 PolarHBondContact O-N 3.13Å | ||
| 59 | I | 62.8 | Low | 60.2 | Low | 143 Ų | 143 | 138.8 Ų | 138.8 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | -85.4 | 103.8 | 174.2 | -55.7 | 169.7 | 0 | 0 | 0 | 108 | E57 E61 | E57-I59 PolarHBondContact O-N 3.44Å; E57-I59 VanDerWaalsContact O-N 3.14Å; I59-E61 PolarHBondContact O-N 3.3Å | ||
| 60 | T | 64.9 | Low | 62.1 | Low | 124 Ų | 124 | 137.1 Ų | 137.1 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.3 | 168.3 | 15.8 | 0 | 0 | 0 | 0 | 109.9 | Y58 E62 | Y58-T60 PolarHBondContact O-N 3.13Å; T60-E62 PolarHBondContact O-N 2.63Å |
| 61 | E | 68.8 | Low | 64 | Low | 184 Ų | 184 | 134.1 Ų | 134.1 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.8 | 168.2 | -84.5 | -177.2 | 154.1 | 0 | 0 | 110.2 | I59 | I59-E61 PolarHBondContact O-N 3.3Š|
| 62 | E | 68.2 | Low | 65.8 | Low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 124.9 | 173.4 | -66.5 | -173.6 | 163.7 | 0 | 0 | 109.3 | T60 D64 | T60-E62 PolarHBondContact O-N 2.63Å; E62-D64 PolarHBondContact O-N 3.21Å |
| 63 | P | 64.4 | Low | 67.5 | Low | 71 Ų | 71 | 129.9 Ų | 129.9 | 46% | 0.461 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 133.6 | -178.6 | 24.8 | -33 | 0 | 0 | 0 | 111.6 | L65 Y70 | P63-L65 PolarHBondContact O-N 3.03Å; P63-Y70 HydrophobicContact CB-CD2 3.7Å; P63-Y70 HydrophobicContact CB-CE1 4.41Å; P63-Y70 HydrophobicContact CB-CE2 3.47Å; P63-Y70 VanDerWaalsContact CB-CE2 3.47Å; P63-Y70 HydrophobicContact CB-CG 4.28Å; P63-Y70 HydrophobicContact CG-CD2 4.12Å; P63-Y70 HydrophobicContact CG-CE1 4.3Å; P63-Y70 HydrophobicContact CG-CE2 3.35Å; P63-Y70 VanDerWaalsContact CG-CZ 3.44Å; P63-Y70 WeakPolarHBondContact CG-OH 3.46Å |
| 64 | D | 72 | Confident | 69.2 | Low | 108 Ų | 108 | 124.8 Ų | 124.8 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.7 | 179.5 | -171.9 | -3.3 | 0 | 0 | 0 | 111.1 | E62 S66 D67 | E62-D64 PolarHBondContact O-N 3.21Å; D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 VanDerWaalsContact OD1-CB 3.24Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 2.91Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; D64-D67 PolarHBondContact O-N 3.23Å |
| 65 | L | 68.8 | Low | 70.4 | Confident | 127 Ų | 127 | 126 Ų | 126 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -6.8 | 178.6 | -72 | 151.8 | 0 | 0 | 0 | 113.1 | P63 Y70 M74 | P63-L65 PolarHBondContact O-N 3.03Å; L65-Y70 HydrophobicContact CD2-CE1 4.16Å; L65-M74 HydrophobicContact CD2-CE 4.17Å |
| 66 | S | 76.5 | Confident | 71.6 | Confident | 94 Ų | 94 | 119.8 Ų | 119.8 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -12.9 | -179.2 | -45.1 | 0 | 0 | 0 | 0 | 114 | D64 P68 | D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 VanDerWaalsContact OD1-CB 3.24Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 2.91Å; D64-S66 PolarHBondContact OD1-OG 3.19Å; S66-P68 WeakPolarHBondContact O-CD 3.27Å |
| 67 | D | 78.9 | Confident | 72.2 | Confident | 78 Ų | 78 | 119.5 Ų | 119.5 | 42% | 0.417 | 59% | 0.593 | S | S | . | * | trans | -81.1 | 120 | -176.2 | -172.5 | -4 | 0 | 0 | 0 | 112.1 | D64 M69 Y70 L71 | D64-D67 PolarHBondContact O-N 3.23Å; D67-M69 PolarHBondContact O-N 2.94Å; D67-M69 VanDerWaalsContact O-N 3.15Å; D67-M69 PolarHBondContact OD1-N 3Å; D67-Y70 WeakPolarHBondContact O-CB 3.46Å; D67-Y70 PolarHBondContact O-N 2.68Å; D67-L71 PolarHBondContact O-N 3.12Å | ||
| 68 | P | 80.7 | Confident | 72.8 | Confident | 101 Ų | 101 | 117.2 Ų | 117.2 | 66% | 0.656 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -55 | -29.2 | 173.9 | -24.3 | 33.6 | 0 | 0 | 0 | 114.1 | S66 Y72 | S66-P68 WeakPolarHBondContact O-CD 3.27Å; P68-Y72 PolarHBondContact O-N 3.34Å |
| 69 | M | 76.5 | Confident | 73.6 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72 | -37.7 | 175.4 | -83.7 | -68.1 | -78.6 | 0 | 0 | 112.1 | D67 L71 Y72 F73 | D67-M69 PolarHBondContact O-N 2.94Å; D67-M69 VanDerWaalsContact O-N 3.15Å; D67-M69 PolarHBondContact OD1-N 3Å; M69-L71 VanDerWaalsContact C-N 3.33Å; M69-L71 PolarHBondContact O-N 2.94Å; M69-Y72 WeakPolarHBondContact O-CB 3.33Å; M69-Y72 PolarHBondContact O-N 3.24Å; M69-F73 HydrophobicContact CE-CD2 4.36Å; M69-F73 HydrophobicContact CE-CE2 3.59Å; M69-F73 VanDerWaalsContact O-CD2 3.28Å; M69-F73 WeakPolarHBondContact O-CD2 3.4Å; M69-F73 PolarHBondContact O-N 2.87Å; M69-F73 HydrophobicContact SD-CE2 4.4Å |
| 70 | Y | 77.4 | Confident | 73.7 | Confident | 54 Ų | 54 | 114.1 Ų | 114.1 | 21% | 0.212 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -65 | -38 | 174.9 | -178.5 | -112.9 | 0 | 0 | 0 | 111.6 | P63 L65 D67 Y72 F73 M74 F77 | P63-Y70 HydrophobicContact CB-CD2 3.7Å; P63-Y70 HydrophobicContact CB-CE1 4.41Å; P63-Y70 HydrophobicContact CB-CE2 3.47Å; P63-Y70 VanDerWaalsContact CB-CE2 3.47Å; P63-Y70 HydrophobicContact CB-CG 4.28Å; P63-Y70 HydrophobicContact CG-CD2 4.12Å; P63-Y70 HydrophobicContact CG-CE1 4.3Å; P63-Y70 HydrophobicContact CG-CE2 3.35Å; P63-Y70 VanDerWaalsContact CG-CZ 3.44Å; P63-Y70 WeakPolarHBondContact CG-OH 3.46Å; L65-Y70 HydrophobicContact CD2-CE1 4.16Å; D67-Y70 WeakPolarHBondContact O-CB 3.46Å; D67-Y70 PolarHBondContact O-N 2.68Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 3.08Å; Y70-F73 CarbonylContact O-C 3.57Å; Y70-F73 PolarHBondContact O-N 3.29Å; Y70-M74 HydrophobicContact CE1-CE 4.12Å; Y70-M74 WeakPolarHBondContact O-CA 3.33Å; Y70-M74 WeakPolarHBondContact O-CB 3.42Å; Y70-M74 PolarHBondContact O-N 3.41Å; Y70-F77 HydrophobicContact CD2-CD2 4.17Å; Y70-F77 AromaticContact CD2-CE2 3.99Å; Y70-F77 HydrophobicContact CD2-CE2 3.99Å; Y70-F77 AromaticContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CE2 4.06Å |
| 71 | L | 78.4 | Confident | 73.8 | Confident | 101 Ų | 101 | 115.6 Ų | 115.6 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.1 | -36.1 | 173.7 | -69.3 | 173 | 0 | 0 | 0 | 113.1 | D67 M69 M74 | D67-L71 PolarHBondContact O-N 3.12Å; M69-L71 VanDerWaalsContact C-N 3.33Å; M69-L71 PolarHBondContact O-N 2.94Å; L71-M74 HydrophobicContact CD2-CE 3.97Å |
| 72 | Y | 79.7 | Confident | 73.1 | Confident | 174 Ų | 174 | 115.3 Ų | 115.3 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -41.5 | 175.7 | -176.9 | -98.1 | 0 | 0 | 0 | 111.9 | P68 M69 Y70 | P68-Y72 PolarHBondContact O-N 3.34Å; M69-Y72 WeakPolarHBondContact O-CB 3.33Å; M69-Y72 PolarHBondContact O-N 3.24Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 3.08Å |
| 73 | F | 79.8 | Confident | 72.4 | Confident | 79 Ų | 79 | 109.4 Ų | 109.4 | 35% | 0.346 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -88.4 | -7.1 | 179.4 | -70.6 | -73.3 | 0 | 0 | 0 | 114.3 | M69 Y70 K75 V76 F77 | M69-F73 HydrophobicContact CE-CD2 4.36Å; M69-F73 HydrophobicContact CE-CE2 3.59Å; M69-F73 VanDerWaalsContact O-CD2 3.28Å; M69-F73 WeakPolarHBondContact O-CD2 3.4Å; M69-F73 PolarHBondContact O-N 2.87Å; M69-F73 HydrophobicContact SD-CE2 4.4Å; Y70-F73 CarbonylContact O-C 3.57Å; Y70-F73 PolarHBondContact O-N 3.29Å; F73-K75 PolarHBondContact O-N 3.37Å; F73-V76 HydrophobicContact CD1-CB 4.36Å; F73-V76 HydrophobicContact CD1-CG2 4.22Å; F73-V76 CarbonylContact O-C 3.57Å; F73-V76 WeakPolarHBondContact O-CA 3.35Å; F73-V76 WeakPolarHBondContact O-CB 3.43Å; F73-V76 PolarHBondContact O-N 3.19Å; F73-F77 HydrophobicContact CB-CD2 3.79Å; F73-F77 HydrophobicContact CB-CE2 3.37Å; F73-F77 HydrophobicContact CB-CZ 3.98Å; F73-F77 HydrophobicContact CG-CE2 4.42Å; F73-F77 WeakPolarHBondContact O-CD2 3.28Å; F73-F77 PolarHBondContact O-N 2.97Å |
| 74 | M | 80 | Confident | 71.7 | Confident | 56 Ų | 56 | 108 Ų | 108 | 28% | 0.276 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -55.6 | -40.4 | -178.3 | -155.5 | -161 | -103.8 | 0 | 0 | 111.7 | L65 Y70 L71 V76 F77 E78 | L65-M74 HydrophobicContact CD2-CE 4.17Å; Y70-M74 HydrophobicContact CE1-CE 4.12Å; Y70-M74 WeakPolarHBondContact O-CA 3.33Å; Y70-M74 WeakPolarHBondContact O-CB 3.42Å; Y70-M74 PolarHBondContact O-N 3.41Å; L71-M74 HydrophobicContact CD2-CE 3.97Å; M74-V76 VanDerWaalsContact C-N 3.32Å; M74-V76 PolarHBondContact O-N 3.03Å; M74-F77 PolarHBondContact O-N 3.35Å; M74-E78 WeakPolarHBondContact O-CB 3.43Å; M74-E78 WeakPolarHBondContact O-CG 3.45Å; M74-E78 PolarHBondContact O-N 2.9Å |
| 75 | K | 75.9 | Confident | 70.9 | Confident | 168 Ų | 168 | 107.8 Ų | 107.8 | 73% | 0.73 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.8 | -29.8 | 175.8 | -129.1 | 175.5 | -173.2 | 174.9 | 0 | 113.3 | F73 T79 | F73-K75 PolarHBondContact O-N 3.37Å; K75-T79 VanDerWaalsContact O-CG2 3.3Å; K75-T79 WeakPolarHBondContact O-CG2 3.44Å; K75-T79 PolarHBondContact O-N 3.15Å; K75-T79 PolarHBondContact O-OG1 2.85Å |
| 76 | V | 77 | Confident | 70.3 | Confident | 62 Ų | 62 | 108 Ų | 108 | 38% | 0.376 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.3 | -42.9 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | F73 M74 E78 T79 Y80 | F73-V76 HydrophobicContact CD1-CB 4.36Å; F73-V76 HydrophobicContact CD1-CG2 4.22Å; F73-V76 CarbonylContact O-C 3.57Å; F73-V76 WeakPolarHBondContact O-CA 3.35Å; F73-V76 WeakPolarHBondContact O-CB 3.43Å; F73-V76 PolarHBondContact O-N 3.19Å; M74-V76 VanDerWaalsContact C-N 3.32Å; M74-V76 PolarHBondContact O-N 3.03Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.15Å; V76-T79 WeakPolarHBondContact CA-OG1 3.32Å; V76-T79 PolarHBondContact O-N 2.85Å; V76-T79 PolarHBondContact O-OG1 2.92Å; V76-Y80 HydrophobicContact CG1-CD2 3.89Å; V76-Y80 HydrophobicContact CG1-CE2 4.21Å; V76-Y80 WeakPolarHBondContact O-CD2 3.33Å; V76-Y80 PolarHBondContact O-N 3.48Å |
| 77 | F | 73.1 | Confident | 69.5 | Low | 107 Ų | 107 | 107.5 Ų | 107.5 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 176 | -65 | -50.7 | 0 | 0 | 0 | 112.8 | Y70 F73 M74 K81 | Y70-F77 HydrophobicContact CD2-CD2 4.17Å; Y70-F77 AromaticContact CD2-CE2 3.99Å; Y70-F77 HydrophobicContact CD2-CE2 3.99Å; Y70-F77 AromaticContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CE2 4.06Å; F73-F77 HydrophobicContact CB-CD2 3.79Å; F73-F77 HydrophobicContact CB-CE2 3.37Å; F73-F77 HydrophobicContact CB-CZ 3.98Å; F73-F77 HydrophobicContact CG-CE2 4.42Å; F73-F77 WeakPolarHBondContact O-CD2 3.28Å; F73-F77 PolarHBondContact O-N 2.97Å; M74-F77 PolarHBondContact O-N 3.35Å; F77-K81 WeakPolarHBondContact O-CG 3.42Å; F77-K81 PolarHBondContact O-N 3.25Å |
| 78 | E | 70.3 | Confident | 68.6 | Low | 123 Ų | 123 | 107.5 Ų | 107.5 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.8 | -33.7 | 172.5 | -77.9 | -177.9 | 164.9 | 0 | 0 | 113.3 | M74 V76 | M74-E78 WeakPolarHBondContact O-CB 3.43Å; M74-E78 WeakPolarHBondContact O-CG 3.45Å; M74-E78 PolarHBondContact O-N 2.9Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.15Å |
| 79 | T | 72.4 | Confident | 67.7 | Low | 103 Ų | 103 | 105.9 Ų | 105.9 | 63% | 0.632 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -79.6 | -25.5 | 178.7 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | K75 V76 | K75-T79 VanDerWaalsContact O-CG2 3.3Å; K75-T79 WeakPolarHBondContact O-CG2 3.44Å; K75-T79 PolarHBondContact O-N 3.15Å; K75-T79 PolarHBondContact O-OG1 2.85Å; V76-T79 WeakPolarHBondContact CA-OG1 3.32Å; V76-T79 PolarHBondContact O-N 2.85Å; V76-T79 PolarHBondContact O-OG1 2.92Å |
| 80 | Y | 64.8 | Low | 67.1 | Low | 185 Ų | 185 | 105.5 Ų | 105.5 | 73% | 0.725 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -110.9 | 13.4 | 179.5 | -71.2 | -84.2 | 0 | 0 | 0 | 113.9 | V76 L82 | V76-Y80 HydrophobicContact CG1-CD2 3.89Å; V76-Y80 HydrophobicContact CG1-CE2 4.21Å; V76-Y80 WeakPolarHBondContact O-CD2 3.33Å; V76-Y80 PolarHBondContact O-N 3.48Å; Y80-L82 PolarHBondContact O-N 3.2Å |
| 81 | K | 67.1 | Low | 66.6 | Low | 156 Ų | 156 | 108.6 Ų | 108.6 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | trans | -58.6 | 108.3 | 168 | -104.4 | 174.5 | -177 | 179 | 0 | 107.6 | F77 S83 | F77-K81 WeakPolarHBondContact O-CG 3.42Å; F77-K81 PolarHBondContact O-N 3.25Å; K81-S83 PolarHBondContact O-N 3.4Å | ||
| 82 | L | 53.5 | Low | 66.3 | Low | 178 Ų | 178 | 109.4 Ų | 109.4 | 93% | 0.932 | 54% | 0.538 | S | S | * | . | trans | -64.4 | 73.6 | 166 | -77.4 | 152.2 | 0 | 0 | 0 | 107.5 | Y80 A84 | Y80-L82 PolarHBondContact O-N 3.2Å; L82-A84 PolarHBondContact O-N 3.36Å; L82-A84 VanDerWaalsContact O-N 3.15Å | ||
| 83 | S | 52.8 | Low | 65.9 | Low | 62 Ų | 62 | 106.3 Ų | 106.3 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | trans | -62 | 116.5 | 160.2 | 40.2 | 0 | 0 | 0 | 0 | 105.7 | K81 I88 | K81-S83 PolarHBondContact O-N 3.4Å; S83-I88 WeakPolarHBondContact OG-CD1 3.43Å; S83-I88 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 84 | A | 50.1 | Low | 65.5 | Low | 42 Ų | 42 | 110 Ų | 110 | 35% | 0.347 | 54% | 0.541 | S | S | . | . | trans | -50.1 | 139.4 | 171 | 0 | 0 | 0 | 0 | 0 | 107.3 | L82 E86 D87 | L82-A84 PolarHBondContact O-N 3.36Å; L82-A84 VanDerWaalsContact O-N 3.15Å; A84-E86 PolarHBondContact O-N 2.92Å; A84-D87 PolarHBondContact O-N 3.21Å | ||
| 85 | P | 55.2 | Low | 65.2 | Low | 102 Ų | 102 | 116.4 Ų | 116.4 | 66% | 0.662 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -53.4 | -20.8 | 177.8 | 19 | -29.9 | 0 | 0 | 0 | 112 | V89 | P85-V89 WeakPolarHBondContact O-CB 3.39Å; P85-V89 WeakPolarHBondContact O-CG2 3.47Å; P85-V89 PolarHBondContact O-N 3.06Å |
| 86 | E | 56 | Low | 65.1 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 62% | 0.621 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.5 | -28.6 | 173.7 | -56.8 | -172.5 | 175.1 | 0 | 0 | 114.8 | A84 K90 | A84-E86 PolarHBondContact O-N 2.92Å; E86-K90 WeakPolarHBondContact O-CB 3.47Å; E86-K90 WeakPolarHBondContact O-CD 3.36Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 3Å; E86-K90 VanDerWaalsContact O-N 3.12Å |
| 87 | D | 59 | Low | 64.9 | Low | 83 Ų | 83 | 118.5 Ų | 118.5 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -90.3 | -30.4 | -177.9 | -67.5 | -26.4 | 0 | 0 | 0 | 112.4 | A84 V89 K90 E91 | A84-D87 PolarHBondContact O-N 3.21Å; D87-V89 VanDerWaalsContact C-N 3.35Å; D87-K90 PolarHBondContact O-N 3.43Å; D87-K90 IonicContact OD1-NZ 3.71Å; D87-K90 PolarHBondContact OD1-NZ 3.45Å; D87-E91 WeakPolarHBondContact O-CB 3.31Å; D87-E91 PolarHBondContact O-N 3.12Å |
| 88 | I | 60 | Low | 64.8 | Low | 78 Ų | 78 | 119.4 Ų | 119.4 | 40% | 0.4 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -42.3 | 169.3 | -54.1 | 161.6 | 0 | 0 | 0 | 109.5 | S83 E91 E92 | S83-I88 WeakPolarHBondContact OG-CD1 3.43Å; S83-I88 WeakPolarHBondContact OG-CG1 3.49Å; I88-E91 PolarHBondContact O-N 3.38Å; I88-E92 WeakPolarHBondContact O-CB 3.46Å; I88-E92 WeakPolarHBondContact O-CG 3.49Å; I88-E92 PolarHBondContact O-N 2.99Å |
| 89 | V | 62.2 | Low | 64.8 | Low | 67 Ų | 67 | 118.2 Ų | 118.2 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111.1 | P85 D87 E91 E92 E93 | P85-V89 WeakPolarHBondContact O-CB 3.39Å; P85-V89 WeakPolarHBondContact O-CG2 3.47Å; P85-V89 PolarHBondContact O-N 3.06Å; D87-V89 VanDerWaalsContact C-N 3.35Å; V89-E91 PolarHBondContact O-N 3.46Å; V89-E92 PolarHBondContact O-N 2.95Å; V89-E93 HydrophobicContact CG1-CG 4.24Å; V89-E93 VanDerWaalsContact O-CB 3.22Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.47Å; V89-E93 PolarHBondContact O-N 3.47Å |
| 90 | K | 65.3 | Low | 64.7 | Low | 103 Ų | 103 | 118.9 Ų | 118.9 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67 | -33.7 | 174.9 | -76.5 | 168.3 | -163.5 | 156.9 | 0 | 113.7 | E86 D87 R94 | E86-K90 WeakPolarHBondContact O-CB 3.47Å; E86-K90 WeakPolarHBondContact O-CD 3.36Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 3Å; E86-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 PolarHBondContact O-N 3.43Å; D87-K90 IonicContact OD1-NZ 3.71Å; D87-K90 PolarHBondContact OD1-NZ 3.45Å; K90-R94 WeakPolarHBondContact O-CB 3.4Å; K90-R94 PolarHBondContact O-N 3.45Å |
| 91 | E | 66.8 | Low | 64.6 | Low | 119 Ų | 119 | 116.4 Ų | 116.4 | 56% | 0.556 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.2 | -41.1 | 176.9 | -155.6 | 82.4 | 179.6 | 0 | 0 | 111 | D87 I88 V89 R94 R95 | D87-E91 WeakPolarHBondContact O-CB 3.31Å; D87-E91 PolarHBondContact O-N 3.12Å; I88-E91 PolarHBondContact O-N 3.38Å; V89-E91 PolarHBondContact O-N 3.46Å; E91-R94 PolarHBondContact O-N 3.14Å; E91-R94 IonicContact OE2-CZ 2.75Å; E91-R94 IonicContact OE2-NH2 2.89Å; E91-R94 PolarHBondContact OE2-NH2 3.04Å; E91-R95 WeakPolarHBondContact O-CB 3.13Å; E91-R95 PolarHBondContact O-N 3.31Å |
| 92 | E | 70.7 | Confident | 64.7 | Low | 118 Ų | 118 | 112.1 Ų | 112.1 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 172.4 | -76.2 | -176 | 160.2 | 0 | 0 | 111.5 | I88 V89 R94 R95 E96 | I88-E92 WeakPolarHBondContact O-CB 3.46Å; I88-E92 WeakPolarHBondContact O-CG 3.49Å; I88-E92 PolarHBondContact O-N 2.99Å; V89-E92 PolarHBondContact O-N 2.95Å; E92-R94 PolarHBondContact O-N 3.44Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 VanDerWaalsContact O-N 3.15Å; E92-E96 WeakPolarHBondContact O-CB 3.44Å; E92-E96 WeakPolarHBondContact O-CG 3.3Å; E92-E96 PolarHBondContact O-N 3.09Å |
| 93 | E | 70.9 | Confident | 65.2 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.5 | -78 | 177.6 | 168.1 | 0 | 0 | 111.6 | V89 R95 E96 E97 | V89-E93 HydrophobicContact CG1-CG 4.24Å; V89-E93 VanDerWaalsContact O-CB 3.22Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 WeakPolarHBondContact O-CG 3.47Å; V89-E93 PolarHBondContact O-N 3.47Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 3.24Å; E93-E96 PolarHBondContact O-N 3.21Å; E93-E97 WeakPolarHBondContact O-CB 3.45Å; E93-E97 WeakPolarHBondContact O-CG 3.46Å; E93-E97 PolarHBondContact O-N 3.45Å |
| 94 | R | 72.9 | Confident | 65.4 | Low | 156 Ų | 156 | 112.2 Ų | 112.2 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -38 | 174.2 | -100.5 | -168.7 | -64.3 | -155.8 | 3.3 | 112.8 | K90 E91 E92 F98 | K90-R94 WeakPolarHBondContact O-CB 3.4Å; K90-R94 PolarHBondContact O-N 3.45Å; E91-R94 PolarHBondContact O-N 3.14Å; E91-R94 IonicContact OE2-CZ 2.75Å; E91-R94 IonicContact OE2-NH2 2.89Å; E91-R94 PolarHBondContact OE2-NH2 3.04Å; E92-R94 PolarHBondContact O-N 3.44Å; R94-F98 WeakPolarHBondContact O-CB 3.47Å; R94-F98 PolarHBondContact O-N 3.23Å |
| 95 | R | 73.4 | Confident | 65.9 | Low | 191 Ų | 191 | 119 Ų | 119 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.9 | -39.5 | -179.9 | -152.8 | 178.2 | -169.6 | -159 | 3 | 110.9 | E91 E92 E93 F98 E99 | E91-R95 WeakPolarHBondContact O-CB 3.13Å; E91-R95 PolarHBondContact O-N 3.31Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 VanDerWaalsContact O-N 3.15Å; E93-R95 VanDerWaalsContact C-N 3.35Å; E93-R95 PolarHBondContact O-N 3.24Å; R95-F98 PolarHBondContact O-N 3.21Å; R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 WeakPolarHBondContact O-CG 3.36Å; R95-E99 PolarHBondContact O-N 3.15Å |
| 96 | E | 73.9 | Confident | 66.1 | Low | 134 Ų | 134 | 121.5 Ų | 121.5 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -42.4 | 171.7 | -73.2 | -172.9 | 172.4 | 0 | 0 | 111.8 | E92 E93 F98 E99 K100 | E92-E96 WeakPolarHBondContact O-CB 3.44Å; E92-E96 WeakPolarHBondContact O-CG 3.3Å; E92-E96 PolarHBondContact O-N 3.09Å; E93-E96 PolarHBondContact O-N 3.21Å; E96-F98 PolarHBondContact O-N 3.31Å; E96-E99 PolarHBondContact O-N 3.4Å; E96-K100 WeakPolarHBondContact O-CB 3.35Å; E96-K100 PolarHBondContact O-N 3.47Å |
| 97 | E | 72 | Confident | 66.2 | Low | 139 Ų | 139 | 116.5 Ų | 116.5 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -41.3 | 173.4 | -81.1 | -172.5 | 161.1 | 0 | 0 | 111.9 | E93 K100 W101 | E93-E97 WeakPolarHBondContact O-CB 3.45Å; E93-E97 WeakPolarHBondContact O-CG 3.46Å; E93-E97 PolarHBondContact O-N 3.45Å; E97-K100 PolarHBondContact O-N 3.01Å; E97-W101 VanDerWaalsContact O-CB 3.27Å; E97-W101 WeakPolarHBondContact O-CB 3.21Å; E97-W101 PolarHBondContact O-N 3.24Å |
| 98 | F | 71.6 | Confident | 66.1 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 55% | 0.553 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69 | -39.7 | 177.6 | -170.3 | -101.1 | 0 | 0 | 0 | 112.7 | R94 R95 E96 W101 N102 | R94-F98 WeakPolarHBondContact O-CB 3.47Å; R94-F98 PolarHBondContact O-N 3.23Å; R95-F98 PolarHBondContact O-N 3.21Å; E96-F98 PolarHBondContact O-N 3.31Å; F98-W101 HydrophobicContact CE2-CE3 4.48Å; F98-W101 PolarHBondContact O-N 3.05Å; F98-N102 WeakPolarHBondContact CE1-ND2 3.5Å; F98-N102 PolarHBondContact O-N 3.34Å |
| 99 | E | 71.2 | Confident | 66.1 | Low | 98 Ų | 98 | 122.2 Ų | 122.2 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69 | -34.1 | 172.7 | -77.5 | -166.4 | 180 | 0 | 0 | 112.9 | R95 E96 R103 | R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 WeakPolarHBondContact O-CG 3.36Å; R95-E99 PolarHBondContact O-N 3.15Å; E96-E99 PolarHBondContact O-N 3.4Å; E99-R103 WeakPolarHBondContact O-CB 3.23Å; E99-R103 PolarHBondContact O-N 2.77Å; E99-R103 IonicContact OE2-NH2 3.17Å; E99-R103 PolarHBondContact OE2-NH2 3.1Å |
| 100 | K | 68.4 | Low | 66.1 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68 | -42.6 | 174.6 | -161.3 | 176.3 | -174.9 | -174.1 | 0 | 110.3 | E96 E97 R103 E104 D119 | E96-K100 WeakPolarHBondContact O-CB 3.35Å; E96-K100 PolarHBondContact O-N 3.47Å; E97-K100 PolarHBondContact O-N 3.01Å; K100-R103 PolarHBondContact O-N 2.87Å; K100-E104 PolarHBondContact O-N 2.9Å; K100-D119 IonicContact NZ-OD2 2.73Å |
| 101 | W | 64.6 | Low | 65.9 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -43.3 | 174.2 | -176.5 | 84.9 | 0 | 0 | 0 | 112.9 | E97 F98 E104 R105 | E97-W101 VanDerWaalsContact O-CB 3.27Å; E97-W101 WeakPolarHBondContact O-CB 3.21Å; E97-W101 PolarHBondContact O-N 3.24Å; F98-W101 HydrophobicContact CE2-CE3 4.48Å; F98-W101 PolarHBondContact O-N 3.05Å; W101-E104 PolarHBondContact O-N 3.28Å; W101-R105 VanDerWaalsContact CH2-NH1 3.28Å; W101-R105 PolarHBondContact O-N 2.89Å |
| 102 | N | 67.6 | Low | 65.7 | Low | 66 Ų | 66 | 116.5 Ų | 116.5 | 35% | 0.353 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 174.9 | -89.4 | -28.8 | 0 | 0 | 0 | 112.6 | F98 | F98-N102 WeakPolarHBondContact CE1-ND2 3.5Å; F98-N102 PolarHBondContact O-N 3.34Å |
| 103 | R | 63.8 | Low | 65.6 | Low | 150 Ų | 150 | 115.4 Ų | 115.4 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.2 | -35.9 | 175 | -100 | 179 | -78.2 | -132.3 | -4.2 | 113.2 | E99 K100 | E99-R103 WeakPolarHBondContact O-CB 3.23Å; E99-R103 PolarHBondContact O-N 2.77Å; E99-R103 IonicContact OE2-NH2 3.17Å; E99-R103 PolarHBondContact OE2-NH2 3.1Å; K100-R103 PolarHBondContact O-N 2.87Å |
| 104 | E | 58 | Low | 65.5 | Low | 91 Ų | 91 | 116.7 Ų | 116.7 | 43% | 0.425 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.6 | -32.5 | 178.6 | -114 | 177.6 | 167.1 | 0 | 0 | 112.8 | K100 W101 L106 I112 | K100-E104 PolarHBondContact O-N 2.9Å; W101-E104 PolarHBondContact O-N 3.28Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.26Å; E104-I112 WeakPolarHBondContact O-CD1 3.47Å |
| 105 | R | 60.7 | Low | 65.2 | Low | 186 Ų | 186 | 116.5 Ų | 116.5 | 70% | 0.702 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75.3 | -19.7 | -177.7 | -159.8 | 173.3 | 168.7 | -166.4 | -4.7 | 113.9 | W101 | W101-R105 VanDerWaalsContact CH2-NH1 3.28Å; W101-R105 PolarHBondContact O-N 2.89Å |
| 106 | L | 59.7 | Low | 65.2 | Low | 154 Ų | 154 | 111.5 Ų | 111.5 | 81% | 0.806 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -3.7 | -179.1 | -80.6 | 151.3 | 0 | 0 | 0 | 113.7 | E104 | E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.26Å |
| 107 | A | 56.6 | Low | 65.3 | Low | 27 Ų | 27 | 109 Ų | 109 | 22% | 0.223 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -90.6 | 139.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I112 | A107-I112 HydrophobicContact CB-CD1 4.48Å; A107-I112 HydrophobicContact CB-CG1 4.05Å |
| 108 | P | 58.1 | Low | 65.5 | Low | 97 Ų | 97 | 107.3 Ų | 107.3 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | trans | -61.8 | 140.2 | 174.3 | 26.1 | -32.6 | 0 | 0 | 0 | 110 | A110 A111 | P108-A110 PolarHBondContact O-N 2.84Å; P108-A111 HydrophobicContact CG-CB 4.35Å; P108-A111 PolarHBondContact O-N 3.08Å | ||
| 109 | K | 59.4 | Low | 65.8 | Low | 184 Ų | 184 | 104.7 Ų | 104.7 | 80% | 0.8 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -49.3 | -24.4 | -172.3 | -67.9 | 178.2 | 177.5 | 175.7 | 0 | 115.3 | ||
| 110 | A | 61.6 | Low | 66.1 | Low | 82 Ų | 82 | 103.8 Ų | 103.8 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72 | -35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P108 | P108-A110 PolarHBondContact O-N 2.84Å |
| 111 | A | 62.5 | Low | 66.5 | Low | 40 Ų | 40 | 103.8 Ų | 103.8 | 33% | 0.331 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.6 | -25.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | P108 R115 | P108-A111 HydrophobicContact CG-CB 4.35Å; P108-A111 PolarHBondContact O-N 3.08Å; A111-R115 PolarHBondContact O-N 3.29Å |
| 112 | I | 61.4 | Low | 67.3 | Low | 48 Ų | 48 | 103.8 Ų | 103.8 | 25% | 0.246 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -69.4 | -42.9 | 176.9 | -62.3 | 172.1 | 0 | 0 | 0 | 110.3 | E104 A107 I116 | E104-I112 WeakPolarHBondContact O-CD1 3.47Å; A107-I112 HydrophobicContact CB-CD1 4.48Å; A107-I112 HydrophobicContact CB-CG1 4.05Å; I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 WeakPolarHBondContact O-CD1 3.5Å; I112-I116 VanDerWaalsContact O-CG1 3.23Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.49Å; I112-I116 VanDerWaalsContact O-N 3.09Å |
| 113 | V | 69.5 | Low | 67.8 | Low | 95 Ų | 95 | 103.2 Ų | 103.2 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.6 | -39.3 | -178.8 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | I116 V117 | V113-I116 PolarHBondContact O-N 3.08Å; V113-V117 WeakPolarHBondContact O-CG2 3.47Å; V113-V117 PolarHBondContact O-N 3.09Å |
| 114 | E | 69.2 | Low | 68.5 | Low | 136 Ų | 136 | 102.7 Ų | 102.7 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.8 | -39.2 | -179.2 | -151.7 | 174.7 | -159 | 0 | 0 | 112.1 | V117 Q118 | E114-V117 PolarHBondContact O-N 3.33Å; E114-Q118 PolarHBondContact O-N 2.98Å; E114-Q118 VanDerWaalsContact O-N 3.15Å |
| 115 | R | 66.8 | Low | 69.5 | Low | 151 Ų | 151 | 103.4 Ų | 103.4 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 173.2 | -83.6 | -174.5 | -178 | 164.2 | 1.8 | 113.3 | A111 V117 Q118 D119 | A111-R115 PolarHBondContact O-N 3.29Å; R115-V117 PolarHBondContact O-N 2.82Å; R115-Q118 PolarHBondContact O-N 3.34Å; R115-Q118 VanDerWaalsContact O-N 3.15Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 3.31Å |
| 116 | I | 72.1 | Confident | 70.3 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -37 | 177.1 | -68.9 | 165.2 | 0 | 0 | 0 | 111 | I112 V113 V120 | I112-I116 HydrophobicContact CG2-CD1 3.76Å; I112-I116 WeakPolarHBondContact O-CD1 3.5Å; I112-I116 VanDerWaalsContact O-CG1 3.23Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.49Å; I112-I116 VanDerWaalsContact O-N 3.09Å; V113-I116 PolarHBondContact O-N 3.08Å; I116-V120 HydrophobicContact CG2-CG2 4.44Å; I116-V120 WeakPolarHBondContact O-CB 3.13Å; I116-V120 WeakPolarHBondContact O-CG2 3.36Å; I116-V120 PolarHBondContact O-N 2.84Å; I116-V120 VanDerWaalsContact O-N 3.09Å |
| 117 | V | 75.4 | Confident | 71.1 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | V113 E114 R115 V120 E121 | V113-V117 WeakPolarHBondContact O-CG2 3.47Å; V113-V117 PolarHBondContact O-N 3.09Å; E114-V117 PolarHBondContact O-N 3.33Å; R115-V117 PolarHBondContact O-N 2.82Å; V117-V120 PolarHBondContact O-N 3.32Å; V117-E121 PolarHBondContact O-N 3.47Å; V117-E121 VanDerWaalsContact O-N 3.08Å |
| 118 | Q | 76.9 | Confident | 71.9 | Confident | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 176 | -73.4 | 176.9 | -9.7 | 0 | 0 | 112.1 | E114 R115 V120 E121 E122 | E114-Q118 PolarHBondContact O-N 2.98Å; E114-Q118 VanDerWaalsContact O-N 3.15Å; R115-Q118 PolarHBondContact O-N 3.34Å; R115-Q118 VanDerWaalsContact O-N 3.15Å; Q118-V120 VanDerWaalsContact C-N 3.28Å; Q118-V120 PolarHBondContact O-N 2.96Å; Q118-E121 PolarHBondContact O-N 3.19Å; Q118-E121 VanDerWaalsContact O-N 3.08Å; Q118-E122 PolarHBondContact O-N 3.35Å |
| 119 | D | 78 | Confident | 72.7 | Confident | 72 Ų | 72 | 104.6 Ų | 104.6 | 39% | 0.385 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 178 | -75.6 | 11.3 | 0 | 0 | 0 | 111.6 | K100 R115 A123 | K100-D119 IonicContact NZ-OD2 2.73Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 3.31Å; D119-A123 WeakPolarHBondContact O-CB 3.49Å; D119-A123 PolarHBondContact O-N 2.92Å |
| 120 | V | 78.4 | Confident | 73.2 | Confident | 78 Ų | 78 | 100.5 Ų | 100.5 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.4 | -33.7 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 112.4 | I116 V117 Q118 K124 | I116-V120 HydrophobicContact CG2-CG2 4.44Å; I116-V120 WeakPolarHBondContact O-CB 3.13Å; I116-V120 WeakPolarHBondContact O-CG2 3.36Å; I116-V120 PolarHBondContact O-N 2.84Å; I116-V120 VanDerWaalsContact O-N 3.09Å; V117-V120 PolarHBondContact O-N 3.32Å; Q118-V120 VanDerWaalsContact C-N 3.28Å; Q118-V120 PolarHBondContact O-N 2.96Å; V120-K124 PolarHBondContact O-N 2.84Å |
| 121 | E | 76.9 | Confident | 73.4 | Confident | 118 Ų | 118 | 101.9 Ų | 101.9 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74 | -41 | 174.2 | -78 | -168.1 | 152.4 | 0 | 0 | 112.2 | V117 Q118 K124 Q125 | V117-E121 PolarHBondContact O-N 3.47Å; V117-E121 VanDerWaalsContact O-N 3.08Å; Q118-E121 PolarHBondContact O-N 3.19Å; Q118-E121 VanDerWaalsContact O-N 3.08Å; E121-K124 WeakPolarHBondContact O-CB 2.86Å; E121-K124 PolarHBondContact O-N 3.16Å; E121-Q125 WeakPolarHBondContact O-CG 3.48Å; E121-Q125 PolarHBondContact O-N 3.12Å |
| 122 | E | 80.4 | Confident | 73.4 | Confident | 133 Ų | 133 | 103.9 Ų | 103.9 | 62% | 0.621 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 174.4 | -74.1 | -171.2 | 167.8 | 0 | 0 | 111.6 | Q118 K124 Q125 A126 | Q118-E122 PolarHBondContact O-N 3.35Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 PolarHBondContact O-N 3.4Å; E122-Q125 PolarHBondContact O-N 2.9Å; E122-Q125 VanDerWaalsContact O-N 3.1Å; E122-A126 WeakPolarHBondContact O-CB 3.43Å; E122-A126 PolarHBondContact O-N 3.08Å |
| 123 | A | 79.1 | Confident | 73.5 | Confident | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -32.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D119 K127 | D119-A123 WeakPolarHBondContact O-CB 3.49Å; D119-A123 PolarHBondContact O-N 2.92Å; A123-K127 PolarHBondContact O-N 3.02Å; A123-K127 VanDerWaalsContact O-N 3.13Å |
| 124 | K | 78.8 | Confident | 73.2 | Confident | 139 Ų | 139 | 109.8 Ų | 109.8 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.3 | -41.5 | 172.1 | -94 | 177.8 | -178.1 | 160.6 | 0 | 112.3 | V120 E121 E122 L128 | V120-K124 PolarHBondContact O-N 2.84Å; E121-K124 WeakPolarHBondContact O-CB 2.86Å; E121-K124 PolarHBondContact O-N 3.16Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 PolarHBondContact O-N 3.4Å; K124-L128 WeakPolarHBondContact O-CB 3.44Å; K124-L128 WeakPolarHBondContact O-CD1 3.47Å; K124-L128 VanDerWaalsContact O-CG 3.31Å; K124-L128 WeakPolarHBondContact O-CG 3.12Å; K124-L128 PolarHBondContact O-N 2.77Å |
| 125 | Q | 77 | Confident | 73.1 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.9 | -39.2 | 176.9 | -73.4 | -167.8 | 23.5 | 0 | 0 | 111.5 | E121 E122 L128 R129 | E121-Q125 WeakPolarHBondContact O-CG 3.48Å; E121-Q125 PolarHBondContact O-N 3.12Å; E122-Q125 PolarHBondContact O-N 2.9Å; E122-Q125 VanDerWaalsContact O-N 3.1Å; Q125-L128 PolarHBondContact O-N 3.46Å; Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 2.97Å |
| 126 | A | 79.2 | Confident | 73.2 | Confident | 55 Ų | 55 | 112.6 Ų | 112.6 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.2 | -48.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E122 L128 R129 E130 | E122-A126 WeakPolarHBondContact O-CB 3.43Å; E122-A126 PolarHBondContact O-N 3.08Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.88Å; A126-R129 PolarHBondContact O-N 3.3Å; A126-R129 VanDerWaalsContact O-N 3.15Å; A126-E130 WeakPolarHBondContact O-CB 3.43Å; A126-E130 PolarHBondContact O-N 2.83Å |
| 127 | K | 76.2 | Confident | 73.2 | Confident | 148 Ų | 148 | 112.9 Ų | 112.9 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.6 | -35.3 | 174.4 | -78.9 | -175.1 | 176.5 | 178 | 0 | 113.5 | A123 D131 | A123-K127 PolarHBondContact O-N 3.02Å; A123-K127 VanDerWaalsContact O-N 3.13Å; K127-D131 WeakPolarHBondContact O-CB 3.36Å; K127-D131 PolarHBondContact O-N 2.96Å |
| 128 | L | 73.1 | Confident | 73.7 | Confident | 121 Ų | 121 | 112.5 Ų | 112.5 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.7 | -33 | 176 | -77 | 165.1 | 0 | 0 | 0 | 112.6 | K124 Q125 A126 A132 | K124-L128 WeakPolarHBondContact O-CB 3.44Å; K124-L128 WeakPolarHBondContact O-CD1 3.47Å; K124-L128 VanDerWaalsContact O-CG 3.31Å; K124-L128 WeakPolarHBondContact O-CG 3.12Å; K124-L128 PolarHBondContact O-N 2.77Å; Q125-L128 PolarHBondContact O-N 3.46Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.88Å; L128-A132 VanDerWaalsContact O-CB 3.3Å; L128-A132 WeakPolarHBondContact O-CB 3.46Å; L128-A132 PolarHBondContact O-N 3.26Å |
| 129 | R | 73.9 | Confident | 74.1 | Confident | 164 Ų | 164 | 115.6 Ų | 115.6 | 62% | 0.619 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.5 | -44.5 | 173.2 | -73.2 | 178.6 | -175.4 | -174.9 | 4.6 | 111 | Q125 A126 D131 A132 E133 | Q125-R129 WeakPolarHBondContact O-CG 3.27Å; Q125-R129 PolarHBondContact O-N 2.97Å; A126-R129 PolarHBondContact O-N 3.3Å; A126-R129 VanDerWaalsContact O-N 3.15Å; R129-D131 PolarHBondContact O-N 3.13Å; R129-A132 CarbonylContact O-C 3.57Å; R129-A132 WeakPolarHBondContact O-CA 3.43Å; R129-A132 WeakPolarHBondContact O-CB 3.11Å; R129-A132 PolarHBondContact O-N 3.06Å; R129-E133 WeakPolarHBondContact O-CB 3.42Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 3.43Å |
| 130 | E | 71 | Confident | 74.4 | Confident | 98 Ų | 98 | 119.6 Ų | 119.6 | 46% | 0.458 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.4 | -39.5 | 177.6 | -154.5 | -158.8 | 143.1 | 0 | 0 | 112.3 | A126 A132 E133 K134 | A126-E130 WeakPolarHBondContact O-CB 3.43Å; A126-E130 PolarHBondContact O-N 2.83Å; E130-A132 VanDerWaalsContact C-N 3.28Å; E130-A132 PolarHBondContact O-N 2.92Å; E130-E133 PolarHBondContact O-N 3.31Å; E130-K134 WeakPolarHBondContact O-CG 3.45Å; E130-K134 PolarHBondContact O-N 3.5Å; E130-K134 VanDerWaalsContact O-N 3.13Å; E130-K134 WeakPolarHBondContact OE1-CE 3.23Å; E130-K134 IonicContact OE1-NZ 3.73Å; E130-K134 PolarHBondContact OE1-NZ 3.37Å |
| 131 | D | 65 | Low | 74.9 | Confident | 112 Ų | 112 | 122.1 Ų | 122.1 | 60% | 0.599 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.4 | -20.3 | 173.2 | -85 | -14.9 | 0 | 0 | 0 | 113.2 | K127 R129 | K127-D131 WeakPolarHBondContact O-CB 3.36Å; K127-D131 PolarHBondContact O-N 2.96Å; R129-D131 PolarHBondContact O-N 3.13Å |
| 132 | A | 64 | Low | 75.3 | Confident | 82 Ų | 82 | 119.9 Ų | 119.9 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -87.7 | -28.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L128 R129 E130 | L128-A132 VanDerWaalsContact O-CB 3.3Å; L128-A132 WeakPolarHBondContact O-CB 3.46Å; L128-A132 PolarHBondContact O-N 3.26Å; R129-A132 CarbonylContact O-C 3.57Å; R129-A132 WeakPolarHBondContact O-CA 3.43Å; R129-A132 WeakPolarHBondContact O-CB 3.11Å; R129-A132 PolarHBondContact O-N 3.06Å; E130-A132 VanDerWaalsContact C-N 3.28Å; E130-A132 PolarHBondContact O-N 2.92Å |
| 133 | E | 61.8 | Low | 75.5 | Confident | 154 Ų | 154 | 121.4 Ų | 121.4 | 72% | 0.72 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -82.7 | -25.7 | 178.5 | -77.3 | 176.2 | -178.1 | 0 | 0 | 113.3 | R129 E130 P135 | R129-E133 WeakPolarHBondContact O-CB 3.42Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 3.43Å; E130-E133 PolarHBondContact O-N 3.31Å; E133-P135 WeakPolarHBondContact O-CD 3.44Å |
| 134 | K | 65 | Low | 75.8 | Confident | 113 Ų | 113 | 124.4 Ų | 124.4 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -64.7 | 108.2 | 168.8 | -74.7 | 168 | -171.1 | 164.2 | 0 | 108.5 | E130 R136 | E130-K134 WeakPolarHBondContact O-CG 3.45Å; E130-K134 PolarHBondContact O-N 3.5Å; E130-K134 VanDerWaalsContact O-N 3.13Å; E130-K134 WeakPolarHBondContact OE1-CE 3.23Å; E130-K134 IonicContact OE1-NZ 3.73Å; E130-K134 PolarHBondContact OE1-NZ 3.37Å; K134-R136 PolarHBondContact O-N 2.97Å |
| 135 | P | 65.4 | Low | 76.1 | Confident | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | trans | -61.1 | 114 | -176.1 | 25 | -32.6 | 0 | 0 | 0 | 107.9 | E133 L137 | E133-P135 WeakPolarHBondContact O-CD 3.44Å; P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 2.8Å | ||
| 136 | R | 69.9 | Low | 76.6 | Confident | 238 Ų | 238 | 125.3 Ų | 125.3 | 90% | 0.898 | 61% | 0.61 | S | S | * | * | trans | -62.9 | 96.3 | 177.9 | -61.8 | -175.3 | 89.9 | 170 | 11.2 | 107.7 | K134 S138 | K134-R136 PolarHBondContact O-N 2.97Å; R136-S138 PolarHBondContact O-N 3.22Å | ||
| 137 | L | 72.2 | Confident | 77.1 | Confident | 91 Ų | 91 | 127.7 Ų | 127.7 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | trans | -50.2 | 127.2 | -179.2 | -30.3 | 149.3 | 0 | 0 | 0 | 107.5 | P135 K139 L142 | P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 2.8Å; L137-K139 PolarHBondContact O-N 3.13Å; L137-L142 HydrophobicContact CD1-CD1 3.51Å | ||
| 138 | S | 86.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 122 Ų | 122 | 51% | 0.51 | 59% | 0.586 | S | S | . | * | trans | -54.7 | 139.7 | 170.6 | 173.5 | 0 | 0 | 0 | 0 | 108.9 | R136 K140 K141 L142 | R136-S138 PolarHBondContact O-N 3.22Å; S138-K140 CarbonylContact O-C 3.52Å; S138-K140 PolarHBondContact O-N 3.45Å; S138-K140 PolarHBondContact OG-N 3.03Å; S138-K141 WeakPolarHBondContact O-CA 3.2Å; S138-K141 WeakPolarHBondContact O-CB 3.27Å; S138-K141 PolarHBondContact O-N 2.74Å; S138-L142 PolarHBondContact O-N 2.91Å | ||
| 139 | K | 84.7 | Confident | 78.8 | Confident | 170 Ų | 170 | 118.8 Ų | 118.8 | 74% | 0.739 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -52.5 | -22.9 | 175.5 | -67.9 | -177.4 | 179.3 | 180 | 0 | 113 | L137 R143 | L137-K139 PolarHBondContact O-N 3.13Å; K139-R143 WeakPolarHBondContact O-CG 3.3Å; K139-R143 PolarHBondContact O-N 3.45Å; K139-R143 PolarHBondContact O-NE 2.9Å |
| 140 | K | 84.8 | Confident | 79.8 | Confident | 156 Ų | 156 | 114.3 Ų | 114.3 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.9 | -44.3 | 172.6 | -66.8 | -175.5 | 178.9 | -178.3 | 0 | 111.8 | S138 R143 L144 | S138-K140 CarbonylContact O-C 3.52Å; S138-K140 PolarHBondContact O-N 3.45Å; S138-K140 PolarHBondContact OG-N 3.03Å; K140-R143 PolarHBondContact O-N 2.92Å; K140-L144 PolarHBondContact O-N 3.43Å |
| 141 | K | 87.2 | Confident | 80.9 | Confident | 130 Ų | 130 | 111.7 Ų | 111.7 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.4 | -42.4 | 177.3 | -169.3 | 172.9 | -177 | 178 | 0 | 111.5 | S138 R143 L144 L145 | S138-K141 WeakPolarHBondContact O-CA 3.2Å; S138-K141 WeakPolarHBondContact O-CB 3.27Å; S138-K141 PolarHBondContact O-N 2.74Å; K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 3.44Å; K141-L144 PolarHBondContact O-N 3.04Å; K141-L145 HydrophobicContact CG-CD1 4.22Å; K141-L145 WeakPolarHBondContact O-CG 3.19Å; K141-L145 PolarHBondContact O-N 2.85Å |
| 142 | L | 85.8 | Confident | 82.3 | Confident | 71 Ų | 71 | 112 Ų | 112 | 37% | 0.372 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.1 | -45.4 | 173.5 | -172.1 | 84.3 | 0 | 0 | 0 | 111.6 | L137 S138 L144 L145 M146 | L137-L142 HydrophobicContact CD1-CD1 3.51Å; S138-L142 PolarHBondContact O-N 2.91Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.35Å; L142-L145 PolarHBondContact O-N 3.13Å; L142-M146 HydrophobicContact CD1-CE 4.26Å; L142-M146 HydrophobicContact CD2-CE 4.2Å; L142-M146 HydrophobicContact CD2-SD 4.38Å; L142-M146 HydrophobicContact CG-CE 4.11Å; L142-M146 HydrophobicContact CG-SD 4.19Å; L142-M146 WeakPolarHBondContact O-CG 3.36Å; L142-M146 PolarHBondContact O-N 3.01Å |
| 143 | R | 84.3 | Confident | 83.8 | Confident | 165 Ų | 165 | 108.1 Ų | 108.1 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -34.7 | 177.7 | -80.9 | -175.4 | -77.2 | 168 | -7.4 | 113.3 | K139 K140 K141 M146 R147 | K139-R143 WeakPolarHBondContact O-CG 3.3Å; K139-R143 PolarHBondContact O-N 3.45Å; K139-R143 PolarHBondContact O-NE 2.9Å; K140-R143 PolarHBondContact O-N 2.92Å; K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 3.44Å; R143-M146 PolarHBondContact O-N 3.46Å; R143-R147 PolarHBondContact O-N 3.23Å |
| 144 | L | 86 | Confident | 85.5 | Confident | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.9 | -38.4 | 176.9 | -171.1 | 66.6 | 0 | 0 | 0 | 111.7 | K140 K141 L142 M146 R147 | K140-L144 PolarHBondContact O-N 3.43Å; K141-L144 PolarHBondContact O-N 3.04Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.35Å; L144-M146 VanDerWaalsContact C-N 3.31Å; L144-R147 WeakPolarHBondContact O-CB 3.44Å; L144-R147 PolarHBondContact O-N 3.3Å |
| 145 | L | 86.1 | Confident | 86.9 | Confident | 124 Ų | 124 | 103.9 Ų | 103.9 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.6 | -30.1 | 174.7 | -74.1 | 162.7 | 0 | 0 | 0 | 112.7 | K141 L142 R147 | K141-L145 HydrophobicContact CG-CD1 4.22Å; K141-L145 WeakPolarHBondContact O-CG 3.19Å; K141-L145 PolarHBondContact O-N 2.85Å; L142-L145 PolarHBondContact O-N 3.13Å; L145-R147 VanDerWaalsContact C-N 3.33Å |
| 146 | M | 86.1 | Confident | 88.2 | Confident | 140 Ų | 140 | 101.9 Ų | 101.9 | 69% | 0.69 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.4 | 177 | -73.3 | 177.8 | 166.4 | 0 | 0 | 114 | L142 R143 L144 P148 | L142-M146 HydrophobicContact CD1-CE 4.26Å; L142-M146 HydrophobicContact CD2-CE 4.2Å; L142-M146 HydrophobicContact CD2-SD 4.38Å; L142-M146 HydrophobicContact CG-CE 4.11Å; L142-M146 HydrophobicContact CG-SD 4.19Å; L142-M146 WeakPolarHBondContact O-CG 3.36Å; L142-M146 PolarHBondContact O-N 3.01Å; R143-M146 PolarHBondContact O-N 3.46Å; L144-M146 VanDerWaalsContact C-N 3.31Å; M146-P148 WeakPolarHBondContact O-CD 3.35Å |
| 147 | R | 90.8 | Very high | 89.3 | Confident | 105 Ų | 105 | 91.7 Ų | 91.7 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 119.8 | -178.9 | 165.2 | 162.8 | 175.4 | -155.8 | 2.2 | 108.9 | R143 L144 L145 V168 T169 | R143-R147 PolarHBondContact O-N 3.23Å; L144-R147 WeakPolarHBondContact O-CB 3.44Å; L144-R147 PolarHBondContact O-N 3.3Å; L145-R147 VanDerWaalsContact C-N 3.33Å; R147-V168 WeakPolarHBondContact CD-O 3.39Å; R147-V168 HydrophobicContact CG-CB 4.16Å; R147-V168 WeakPolarHBondContact CG-O 3.38Å; R147-V168 VanDerWaalsContact NE-CG2 3.29Å; R147-V168 PolarHBondContact NE-O 3.24Å; R147-T169 VanDerWaalsContact NH1-CG2 3.33Å |
| 148 | P | 91.4 | Very high | 90.3 | Very high | 30 Ų | 30 | 97.4 Ų | 97.4 | 20% | 0.195 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 152.6 | 176.6 | 28.6 | -34 | 0 | 0 | 0 | 110.5 | M146 E152 V168 P173 | M146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-E152 WeakPolarHBondContact CA-OE2 3.35Å; P148-E152 HydrophobicContact CB-CB 4.35Å; P148-V168 VanDerWaalsContact O-CG1 3.31Å; P148-V168 WeakPolarHBondContact O-CG1 3.39Å; P148-P173 HydrophobicContact CG-CB 4.1Å; P148-P173 HydrophobicContact CG-CG 3.98Å |
| 149 | S | 93.1 | Very high | 90.6 | Very high | 52 Ų | 52 | 100.6 Ų | 100.6 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -67 | 158.2 | 166.9 | 72.7 | 0 | 0 | 0 | 0 | 110.2 | G151 E152 L153 | S149-G151 PolarHBondContact O-N 2.6Å; S149-E152 WeakPolarHBondContact CB-OE1 3.44Å; S149-E152 PolarHBondContact N-OE2 2.89Å; S149-E152 VanDerWaalsContact N-OE2 3.12Å; S149-E152 PolarHBondContact O-N 3.13Å; S149-E152 WeakPolarHBondContact OG-CB 3.4Å; S149-E152 WeakPolarHBondContact OG-CG 3.17Å; S149-E152 PolarHBondContact OG-N 3.48Å; S149-E152 VanDerWaalsContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE1 3.24Å; S149-L153 PolarHBondContact O-N 3.1Å |
| 150 | I | 94.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 95.3 Ų | 95.3 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -33 | 176.6 | -176.1 | 157.1 | 0 | 0 | 0 | 111.5 | L153 K154 V163 W165 V168 | I150-L153 PolarHBondContact O-N 3.24Å; I150-K154 HydrophobicContact CG1-CD 4.39Å; I150-K154 HydrophobicContact CG1-CG 4.44Å; I150-K154 WeakPolarHBondContact O-CB 3.42Å; I150-K154 WeakPolarHBondContact O-CG 3.5Å; I150-K154 PolarHBondContact O-N 2.73Å; I150-V163 HydrophobicContact CG1-CG1 4.28Å; I150-W165 HydrophobicContact CD1-CB 4.45Å; I150-V168 HydrophobicContact CB-CG1 4.23Å |
| 151 | G | 95.4 | Very high | 91.7 | Very high | 43 Ų | 43 | 93.4 Ų | 93.4 | 44% | 0.443 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S149 L153 K154 A155 | S149-G151 PolarHBondContact O-N 2.6Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 3.27Å; G151-K154 PolarHBondContact O-N 2.94Å; G151-A155 WeakPolarHBondContact O-CB 3.27Å; G151-A155 PolarHBondContact O-N 3.44Å |
| 152 | E | 94.2 | Very high | 92 | Very high | 118 Ų | 118 | 88.7 Ų | 88.7 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.2 | -43.6 | 173.9 | -75.3 | 153.4 | -132.4 | 0 | 0 | 112 | P148 S149 A155 S156 | P148-E152 WeakPolarHBondContact CA-OE2 3.35Å; P148-E152 HydrophobicContact CB-CB 4.35Å; S149-E152 WeakPolarHBondContact CB-OE1 3.44Å; S149-E152 PolarHBondContact N-OE2 2.89Å; S149-E152 VanDerWaalsContact N-OE2 3.12Å; S149-E152 PolarHBondContact O-N 3.13Å; S149-E152 WeakPolarHBondContact OG-CB 3.4Å; S149-E152 WeakPolarHBondContact OG-CG 3.17Å; S149-E152 PolarHBondContact OG-N 3.48Å; S149-E152 VanDerWaalsContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE1 3.24Å; E152-A155 PolarHBondContact O-N 2.89Å; E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 3.49Å; E152-S156 PolarHBondContact O-OG 3.31Å |
| 153 | L | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 85.6 Ų | 85.6 | 1% | 0.005 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | -179.7 | -173.3 | 58.6 | 0 | 0 | 0 | 110.9 | S149 I150 G151 S156 T157 V163 D167 V168 P173 K174 V177 | S149-L153 PolarHBondContact O-N 3.1Å; I150-L153 PolarHBondContact O-N 3.24Å; G151-L153 VanDerWaalsContact C-N 3.31Å; G151-L153 PolarHBondContact O-N 3.27Å; L153-S156 PolarHBondContact O-N 3.34Å; L153-S156 PolarHBondContact O-OG 3.12Å; L153-T157 HydrophobicContact CD1-CG2 4.28Å; L153-T157 WeakPolarHBondContact O-CG2 3.5Å; L153-T157 PolarHBondContact O-N 3.47Å; L153-T157 PolarHBondContact O-OG1 3.47Å; L153-V163 HydrophobicContact CB-CG1 4.45Å; L153-V163 HydrophobicContact CD2-CG1 3.79Å; L153-V163 HydrophobicContact CG-CG1 4.02Å; L153-D167 HydrophobicContact CD2-CB 4.06Å; L153-V168 HydrophobicContact CB-CG1 4.32Å; L153-V168 HydrophobicContact CD2-CG1 3.86Å; L153-P173 HydrophobicContact CD1-CB 3.92Å; L153-P173 HydrophobicContact CD2-CB 3.88Å; L153-K174 HydrophobicContact CD1-CG 4.29Å; L153-V177 HydrophobicContact CD1-CG2 4.22Å; L153-V177 HydrophobicContact CD2-CG2 3.91Å; L153-V177 HydrophobicContact CG-CG2 4.11Å |
| 154 | K | 96.8 | Very high | 93 | Very high | 89 Ų | 89 | 82.5 Ų | 82.5 | 39% | 0.387 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.5 | -77.3 | -173.9 | 173 | -164.1 | 0 | 111.9 | I150 G151 S156 T157 P160 V163 | I150-K154 HydrophobicContact CG1-CD 4.39Å; I150-K154 HydrophobicContact CG1-CG 4.44Å; I150-K154 WeakPolarHBondContact O-CB 3.42Å; I150-K154 WeakPolarHBondContact O-CG 3.5Å; I150-K154 PolarHBondContact O-N 2.73Å; G151-K154 PolarHBondContact O-N 2.94Å; K154-S156 VanDerWaalsContact C-N 3.26Å; K154-S156 PolarHBondContact O-N 2.99Å; K154-T157 PolarHBondContact O-N 3.13Å; K154-T157 PolarHBondContact O-OG1 3.36Å; K154-P160 HydrophobicContact CB-CB 3.91Å; K154-P160 WeakPolarHBondContact CE-O 3.45Å; K154-P160 HydrophobicContact CG-CB 4.09Å; K154-V163 HydrophobicContact CG-CB 3.82Å; K154-V163 HydrophobicContact CG-CG1 3.95Å; K154-V163 HydrophobicContact CG-CG2 4.13Å |
| 155 | A | 95.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 84.6 Ų | 84.6 | 74% | 0.736 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.9 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G151 E152 T157 | G151-A155 WeakPolarHBondContact O-CB 3.27Å; G151-A155 PolarHBondContact O-N 3.44Å; E152-A155 PolarHBondContact O-N 2.89Å; A155-T157 VanDerWaalsContact C-N 3.31Å; A155-T157 PolarHBondContact O-N 3.04Å |
| 156 | S | 92.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 80.5 Ų | 80.5 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -10.2 | -179.8 | 72.8 | 0 | 0 | 0 | 0 | 115.1 | E152 L153 K154 | E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 3.49Å; E152-S156 PolarHBondContact O-OG 3.31Å; L153-S156 PolarHBondContact O-N 3.34Å; L153-S156 PolarHBondContact O-OG 3.12Å; K154-S156 VanDerWaalsContact C-N 3.26Å; K154-S156 PolarHBondContact O-N 2.99Å |
| 157 | T | 92.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 74.3 Ų | 74.3 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -111.6 | 141.6 | -168.8 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | L153 K154 A155 R159 V177 | L153-T157 HydrophobicContact CD1-CG2 4.28Å; L153-T157 WeakPolarHBondContact O-CG2 3.5Å; L153-T157 PolarHBondContact O-N 3.47Å; L153-T157 PolarHBondContact O-OG1 3.47Å; K154-T157 PolarHBondContact O-N 3.13Å; K154-T157 PolarHBondContact O-OG1 3.36Å; A155-T157 VanDerWaalsContact C-N 3.31Å; A155-T157 PolarHBondContact O-N 3.04Å; T157-R159 VanDerWaalsContact C-N 3.31Å; T157-R159 PolarHBondContact O-N 3.44Å; T157-V177 HydrophobicContact CG2-CB 3.92Å; T157-V177 HydrophobicContact CG2-CG1 3.42Å; T157-V177 VanDerWaalsContact CG2-CG1 3.42Å; T157-V177 HydrophobicContact CG2-CG2 4.48Å |
| 158 | K | 93 | Very high | 94.4 | Very high | 212 Ų | 212 | 69.7 Ų | 69.7 | 92% | 0.922 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -65.3 | -31.6 | 178 | -63.7 | -173.7 | 178.4 | -172.7 | 0 | 113.5 | P160 | K158-P160 WeakPolarHBondContact O-CD 3.44Š|
| 159 | R | 94 | Very high | 94.4 | Very high | 140 Ų | 140 | 72.3 Ų | 72.3 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | trans | -119.7 | 85.3 | 178.8 | -76 | -169.9 | 120.2 | 132.2 | 6.4 | 109.6 | T157 D161 V162 | T157-R159 VanDerWaalsContact C-N 3.31Å; T157-R159 PolarHBondContact O-N 3.44Å; R159-D161 VanDerWaalsContact C-OD1 3.28Å; R159-D161 WeakPolarHBondContact CA-OD1 3.2Å; R159-D161 WeakPolarHBondContact CB-OD1 3.35Å; R159-D161 PolarHBondContact O-N 2.75Å; R159-V162 HydrophobicContact CB-CG2 4.36Å; R159-V162 VanDerWaalsContact O-CG2 3.31Å; R159-V162 WeakPolarHBondContact O-CG2 3.44Å | ||
| 160 | P | 95.7 | Very high | 94.4 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -75.1 | -11.7 | -177.6 | 29.4 | -35.3 | 0 | 0 | 0 | 113.9 | K154 K158 V163 | K154-P160 HydrophobicContact CB-CB 3.91Å; K154-P160 WeakPolarHBondContact CE-O 3.45Å; K154-P160 HydrophobicContact CG-CB 4.09Å; K158-P160 WeakPolarHBondContact O-CD 3.44Å; P160-V163 PolarHBondContact O-N 2.87Å |
| 161 | D | 95.1 | Very high | 94.3 | Very high | 116 Ų | 116 | 78.8 Ų | 78.8 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -67.6 | -34.1 | 178 | 59.9 | -43.8 | 0 | 0 | 0 | 113 | R159 V163 | R159-D161 VanDerWaalsContact C-OD1 3.28Å; R159-D161 WeakPolarHBondContact CA-OD1 3.2Å; R159-D161 WeakPolarHBondContact CB-OD1 3.35Å; R159-D161 PolarHBondContact O-N 2.75Å; D161-V163 VanDerWaalsContact C-N 3.28Å; D161-V163 PolarHBondContact O-N 3.42Å |
| 162 | V | 94.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 80.7 Ų | 80.7 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -79 | -10.5 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | R159 E164 V177 K180 | R159-V162 HydrophobicContact CB-CG2 4.36Å; R159-V162 VanDerWaalsContact O-CG2 3.31Å; R159-V162 WeakPolarHBondContact O-CG2 3.44Å; V162-E164 PolarHBondContact O-N 2.89Å; V162-V177 HydrophobicContact CG2-CG1 4.06Å; V162-K180 HydrophobicContact CB-CD 3.78Å; V162-K180 HydrophobicContact CB-CG 4.04Å; V162-K180 HydrophobicContact CG2-CB 4.35Å; V162-K180 HydrophobicContact CG2-CD 4.21Å; V162-K180 HydrophobicContact CG2-CG 4.33Å; V162-K180 WeakPolarHBondContact O-CD 3.19Å; V162-K180 PolarHBondContact O-NZ 3.36Å; V162-K180 VanDerWaalsContact O-NZ 3.16Å |
| 163 | V | 95.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 75.9 Ų | 75.9 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | trans | -76.2 | 117.2 | -175 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | I150 L153 K154 P160 D161 V177 | I150-V163 HydrophobicContact CG1-CG1 4.28Å; L153-V163 HydrophobicContact CB-CG1 4.45Å; L153-V163 HydrophobicContact CD2-CG1 3.79Å; L153-V163 HydrophobicContact CG-CG1 4.02Å; K154-V163 HydrophobicContact CG-CB 3.82Å; K154-V163 HydrophobicContact CG-CG1 3.95Å; K154-V163 HydrophobicContact CG-CG2 4.13Å; P160-V163 PolarHBondContact O-N 2.87Å; D161-V163 VanDerWaalsContact C-N 3.28Å; D161-V163 PolarHBondContact O-N 3.42Å; V163-V177 HydrophobicContact CG1-CG2 4.46Å; V163-V177 HydrophobicContact CG2-CB 4.44Å; V163-V177 HydrophobicContact CG2-CG1 3.67Å; V163-V177 HydrophobicContact CG2-CG2 3.86Å | ||
| 164 | E | 94.7 | Very high | 94.1 | Very high | 99 Ų | 99 | 82.5 Ų | 82.5 | 46% | 0.463 | 41% | 0.414 | S | S | . | . | trans | -102.1 | 158 | 179.3 | -67.1 | -70.7 | -178.2 | 0 | 0 | 111.4 | V162 H166 D167 | V162-E164 PolarHBondContact O-N 2.89Å; E164-H166 PolarHBondContact O-N 3.39Å; E164-H166 VanDerWaalsContact O-N 3.08Å; E164-D167 PolarHBondContact N-OD2 3.2Å; E164-D167 WeakPolarHBondContact O-CB 3.43Å; E164-D167 PolarHBondContact O-N 3.44Å | ||
| 165 | W | 93 | Very high | 94 | Very high | 162 Ų | 162 | 82.4 Ų | 82.4 | 61% | 0.614 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.2 | 179.1 | 65.9 | -91.5 | 0 | 0 | 0 | 114.4 | I150 V168 | I150-W165 HydrophobicContact CD1-CB 4.45Å; W165-V168 WeakPolarHBondContact O-CG2 3.35Å |
| 166 | H | 94.3 | Very high | 94 | Very high | 39 Ų | 39 | 81.1 Ų | 81.1 | 18% | 0.181 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -25.7 | 175.9 | -63.7 | -79.2 | 0 | 0 | 0 | 113.3 | E164 V168 T169 W192 | E164-H166 PolarHBondContact O-N 3.39Å; E164-H166 VanDerWaalsContact O-N 3.08Å; H166-V168 VanDerWaalsContact C-N 3.26Å; H166-V168 PolarHBondContact O-N 2.85Å; H166-T169 WeakPolarHBondContact O-CB 2.99Å; H166-T169 PolarHBondContact O-N 3.3Å; H166-T169 PolarHBondContact O-OG1 3.32Å; H166-W192 HydrophobicContact CB-CH2 4.15Å; H166-W192 HydrophobicContact CB-CZ2 4.23Å; H166-W192 AromaticContact CD2-CH2 3.79Å; H166-W192 AromaticContact CD2-CZ2 3.44Å; H166-W192 VanDerWaalsContact CD2-CZ2 3.44Å; H166-W192 WeakPolarHBondContact CD2-CZ2 3.39Å; H166-W192 AromaticContact CE1-CH2 3.47Å; H166-W192 VanDerWaalsContact CE1-CH2 3.47Å; H166-W192 WeakPolarHBondContact CE1-CH2 3.43Å; H166-W192 AromaticContact CE1-CZ2 3.8Å; H166-W192 AromaticContact CG-CH2 3.65Å; H166-W192 AromaticContact CG-CZ2 3.73Å; H166-W192 AromaticContact ND1-CH2 3.51Å; H166-W192 AromaticContact ND1-CZ2 4Å; H166-W192 AromaticContact NE2-CH2 3.66Å; H166-W192 AromaticContact NE2-CZ2 3.46Å; H166-W192 WeakPolarHBondContact NE2-CZ2 3.33Å |
| 167 | D | 95.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 78.1 Ų | 78.1 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -66.1 | -31.8 | -168.7 | -63.6 | -21.9 | 0 | 0 | 0 | 111.9 | L153 E164 T169 A170 L176 V177 K180 | L153-D167 HydrophobicContact CD2-CB 4.06Å; E164-D167 PolarHBondContact N-OD2 3.2Å; E164-D167 WeakPolarHBondContact O-CB 3.43Å; E164-D167 PolarHBondContact O-N 3.44Å; D167-T169 PolarHBondContact O-N 3.05Å; D167-T169 VanDerWaalsContact O-N 3.16Å; D167-A170 WeakPolarHBondContact O-CB 3.49Å; D167-A170 PolarHBondContact O-N 2.99Å; D167-L176 HydrophobicContact CB-CD2 4.08Å; D167-V177 HydrophobicContact CB-CG2 4.32Å; D167-K180 IonicContact OD1-NZ 3.95Å; D167-K180 PolarHBondContact OD1-NZ 3.1Å; D167-K180 IonicContact OD2-NZ 3.04Å; D167-K180 PolarHBondContact OD2-NZ 3.02Å |
| 168 | V | 94.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 82.8 Ų | 82.8 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -61.1 | -21.9 | 173.2 | -69.5 | 0 | 0 | 0 | 0 | 113.1 | R147 P148 I150 L153 W165 H166 A170 | R147-V168 WeakPolarHBondContact CD-O 3.39Å; R147-V168 HydrophobicContact CG-CB 4.16Å; R147-V168 WeakPolarHBondContact CG-O 3.38Å; R147-V168 VanDerWaalsContact NE-CG2 3.29Å; R147-V168 PolarHBondContact NE-O 3.24Å; P148-V168 VanDerWaalsContact O-CG1 3.31Å; P148-V168 WeakPolarHBondContact O-CG1 3.39Å; I150-V168 HydrophobicContact CB-CG1 4.23Å; L153-V168 HydrophobicContact CB-CG1 4.32Å; L153-V168 HydrophobicContact CD2-CG1 3.86Å; W165-V168 WeakPolarHBondContact O-CG2 3.35Å; H166-V168 VanDerWaalsContact C-N 3.26Å; H166-V168 PolarHBondContact O-N 2.85Å; V168-A170 VanDerWaalsContact C-N 3.33Å |
| 169 | T | 93.4 | Very high | 94.4 | Very high | 85 Ų | 85 | 77.5 Ų | 77.5 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -85.5 | -5.1 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | R147 H166 D167 | R147-T169 VanDerWaalsContact NH1-CG2 3.33Å; H166-T169 WeakPolarHBondContact O-CB 2.99Å; H166-T169 PolarHBondContact O-N 3.3Å; H166-T169 PolarHBondContact O-OG1 3.32Å; D167-T169 PolarHBondContact O-N 3.05Å; D167-T169 VanDerWaalsContact O-N 3.16Å |
| 170 | A | 93.1 | Very high | 94.5 | Very high | 34 Ų | 34 | 73.6 Ų | 73.6 | 28% | 0.281 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -64.2 | 157.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D167 V168 D172 P173 L176 | D167-A170 WeakPolarHBondContact O-CB 3.49Å; D167-A170 PolarHBondContact O-N 2.99Å; V168-A170 VanDerWaalsContact C-N 3.33Å; A170-D172 PolarHBondContact O-N 2.99Å; A170-P173 HydrophobicContact CB-CG 4.49Å; A170-L176 HydrophobicContact CB-CB 4.37Å; A170-L176 HydrophobicContact CB-CD2 3.57Å |
| 171 | K | 91.8 | Very high | 94.5 | Very high | 226 Ų | 226 | 72 Ų | 72 | 98% | 0.983 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -62.7 | -35.7 | 174.2 | -69.9 | 179.1 | -178.3 | 173.6 | 0 | 111.8 | ||
| 172 | D | 93.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 68.4 Ų | 68.4 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -136.9 | 91.1 | 175.3 | -170 | -22.3 | 0 | 0 | 0 | 108.6 | A170 K174 L175 L176 | A170-D172 PolarHBondContact O-N 2.99Å; D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 PolarHBondContact O-N 3.07Å; D172-K174 PolarHBondContact OD1-N 3.36Å; D172-L175 HydrophobicContact CB-CB 4.05Å; D172-L175 PolarHBondContact OD1-N 3.44Å; D172-L175 WeakPolarHBondContact OD2-CB 3.48Å; D172-L176 WeakPolarHBondContact O-CB 3.47Å; D172-L176 PolarHBondContact O-N 3.32Å; D172-L176 VanDerWaalsContact O-N 3.09Å |
| 173 | P | 94.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 75.7 Ų | 75.7 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | -178.1 | -24.8 | 35.4 | 0 | 0 | 0 | 113.2 | P148 L153 A170 L176 V177 | P148-P173 HydrophobicContact CG-CB 4.1Å; P148-P173 HydrophobicContact CG-CG 3.98Å; L153-P173 HydrophobicContact CD1-CB 3.92Å; L153-P173 HydrophobicContact CD2-CB 3.88Å; A170-P173 HydrophobicContact CB-CG 4.49Å; P173-L176 PolarHBondContact O-N 3.26Å; P173-V177 WeakPolarHBondContact O-CG2 3.36Å; P173-V177 PolarHBondContact O-N 3.5Å |
| 174 | K | 93.4 | Very high | 94.3 | Very high | 140 Ų | 140 | 82.1 Ų | 82.1 | 61% | 0.609 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.4 | -46.4 | -177.6 | -67.9 | -173.4 | 177.8 | -174.1 | 0 | 111 | L153 D172 V177 H178 | L153-K174 HydrophobicContact CD1-CG 4.29Å; D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 PolarHBondContact O-N 3.07Å; D172-K174 PolarHBondContact OD1-N 3.36Å; K174-V177 PolarHBondContact O-N 3.02Å; K174-H178 WeakPolarHBondContact O-CB 3.46Å; K174-H178 PolarHBondContact O-N 2.98Å |
| 175 | L | 94.9 | Very high | 94.3 | Very high | 88 Ų | 88 | 80.5 Ų | 80.5 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.6 | 179.5 | 62.6 | 0 | 0 | 0 | 111.9 | D172 V177 H178 L179 | D172-L175 HydrophobicContact CB-CB 4.05Å; D172-L175 PolarHBondContact OD1-N 3.44Å; D172-L175 WeakPolarHBondContact OD2-CB 3.48Å; L175-V177 PolarHBondContact O-N 2.72Å; L175-H178 WeakPolarHBondContact O-CB 3.21Å; L175-H178 PolarHBondContact O-N 2.85Å; L175-L179 HydrophobicContact CD1-CG 4.4Å; L175-L179 HydrophobicContact CG-CD1 4.34Å; L175-L179 WeakPolarHBondContact O-CG 3.34Å; L175-L179 PolarHBondContact O-N 3.49Å |
| 176 | L | 95.3 | Very high | 94.3 | Very high | 62 Ų | 62 | 76.1 Ų | 76.1 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 178.3 | 175.6 | 63.2 | 0 | 0 | 0 | 111.5 | D167 A170 D172 P173 H178 L179 K180 | D167-L176 HydrophobicContact CB-CD2 4.08Å; A170-L176 HydrophobicContact CB-CB 4.37Å; A170-L176 HydrophobicContact CB-CD2 3.57Å; D172-L176 WeakPolarHBondContact O-CB 3.47Å; D172-L176 PolarHBondContact O-N 3.32Å; D172-L176 VanDerWaalsContact O-N 3.09Å; P173-L176 PolarHBondContact O-N 3.26Å; L176-H178 VanDerWaalsContact C-N 3.31Å; L176-H178 PolarHBondContact O-N 3.39Å; L176-L179 PolarHBondContact O-N 3.03Å; L176-K180 WeakPolarHBondContact O-CB 3.34Å; L176-K180 PolarHBondContact O-N 2.83Å |
| 177 | V | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | L153 T157 V162 V163 D167 P173 K174 L175 L179 K180 S181 | L153-V177 HydrophobicContact CD1-CG2 4.22Å; L153-V177 HydrophobicContact CD2-CG2 3.91Å; L153-V177 HydrophobicContact CG-CG2 4.11Å; T157-V177 HydrophobicContact CG2-CB 3.92Å; T157-V177 HydrophobicContact CG2-CG1 3.42Å; T157-V177 VanDerWaalsContact CG2-CG1 3.42Å; T157-V177 HydrophobicContact CG2-CG2 4.48Å; V162-V177 HydrophobicContact CG2-CG1 4.06Å; V163-V177 HydrophobicContact CG1-CG2 4.46Å; V163-V177 HydrophobicContact CG2-CB 4.44Å; V163-V177 HydrophobicContact CG2-CG1 3.67Å; V163-V177 HydrophobicContact CG2-CG2 3.86Å; D167-V177 HydrophobicContact CB-CG2 4.32Å; P173-V177 WeakPolarHBondContact O-CG2 3.36Å; P173-V177 PolarHBondContact O-N 3.5Å; K174-V177 PolarHBondContact O-N 3.02Å; L175-V177 PolarHBondContact O-N 2.72Å; V177-L179 VanDerWaalsContact C-N 3.34Å; V177-L179 PolarHBondContact O-N 2.82Å; V177-K180 PolarHBondContact O-N 3.18Å; V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.22Å; V177-S181 PolarHBondContact O-N 3.28Å; V177-S181 PolarHBondContact O-OG 3.43Å |
| 178 | H | 95.4 | Very high | 94.3 | Very high | 122 Ų | 122 | 83 Ų | 83 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56.4 | -48.6 | 174.5 | -177.8 | 67.9 | 0 | 0 | 0 | 111.6 | K174 L175 L176 K180 S181 A182 | K174-H178 WeakPolarHBondContact O-CB 3.46Å; K174-H178 PolarHBondContact O-N 2.98Å; L175-H178 WeakPolarHBondContact O-CB 3.21Å; L175-H178 PolarHBondContact O-N 2.85Å; L176-H178 VanDerWaalsContact C-N 3.31Å; L176-H178 PolarHBondContact O-N 3.39Å; H178-K180 PolarHBondContact O-N 3.23Å; H178-S181 WeakPolarHBondContact CA-OG 3.34Å; H178-S181 PolarHBondContact O-N 3.28Å; H178-S181 PolarHBondContact O-OG 2.88Å; H178-A182 PolarHBondContact O-N 3.37Å; H178-A182 VanDerWaalsContact O-N 3.15Å |
| 179 | L | 95.6 | Very high | 94.3 | Very high | 100 Ų | 100 | 85.1 Ų | 85.1 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.2 | -68 | 175.2 | 0 | 0 | 0 | 112.5 | L175 L176 V177 S181 A182 | L175-L179 HydrophobicContact CD1-CG 4.4Å; L175-L179 HydrophobicContact CG-CD1 4.34Å; L175-L179 WeakPolarHBondContact O-CG 3.34Å; L175-L179 PolarHBondContact O-N 3.49Å; L176-L179 PolarHBondContact O-N 3.03Å; V177-L179 VanDerWaalsContact C-N 3.34Å; V177-L179 PolarHBondContact O-N 2.82Å; L179-S181 PolarHBondContact O-N 3.42Å; L179-A182 WeakPolarHBondContact O-CB 3.48Å; L179-A182 PolarHBondContact O-N 2.92Å |
| 180 | K | 95.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 90.6 Ų | 90.6 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.4 | -28.5 | 176.9 | -163.7 | -171.8 | -77.7 | -179.3 | 0 | 112.3 | V162 D167 L176 V177 H178 T185 | V162-K180 HydrophobicContact CB-CD 3.78Å; V162-K180 HydrophobicContact CB-CG 4.04Å; V162-K180 HydrophobicContact CG2-CB 4.35Å; V162-K180 HydrophobicContact CG2-CD 4.21Å; V162-K180 HydrophobicContact CG2-CG 4.33Å; V162-K180 WeakPolarHBondContact O-CD 3.19Å; V162-K180 PolarHBondContact O-NZ 3.36Å; V162-K180 VanDerWaalsContact O-NZ 3.16Å; D167-K180 IonicContact OD1-NZ 3.95Å; D167-K180 PolarHBondContact OD1-NZ 3.1Å; D167-K180 IonicContact OD2-NZ 3.04Å; D167-K180 PolarHBondContact OD2-NZ 3.02Å; L176-K180 WeakPolarHBondContact O-CB 3.34Å; L176-K180 PolarHBondContact O-N 2.83Å; V177-K180 PolarHBondContact O-N 3.18Å; H178-K180 PolarHBondContact O-N 3.23Å; K180-T185 PolarHBondContact O-OG1 2.87Å |
| 181 | S | 94.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 92.3 Ų | 92.3 | 19% | 0.189 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6 | 178.2 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | V177 H178 L179 | V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.22Å; V177-S181 PolarHBondContact O-N 3.28Å; V177-S181 PolarHBondContact O-OG 3.43Å; H178-S181 WeakPolarHBondContact CA-OG 3.34Å; H178-S181 PolarHBondContact O-N 3.28Å; H178-S181 PolarHBondContact O-OG 2.88Å; L179-S181 PolarHBondContact O-N 3.42Å |
| 182 | A | 94.5 | Very high | 94.4 | Very high | 39 Ų | 39 | 88.4 Ų | 88.4 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -68.4 | 148.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H178 L179 T185 | H178-A182 PolarHBondContact O-N 3.37Å; H178-A182 VanDerWaalsContact O-N 3.15Å; L179-A182 WeakPolarHBondContact O-CB 3.48Å; L179-A182 PolarHBondContact O-N 2.92Å; A182-T185 HydrophobicContact CB-CG2 3.7Å; A182-T185 WeakPolarHBondContact O-CG2 3.06Å; A182-T185 PolarHBondContact O-N 2.69Å; A182-T185 PolarHBondContact O-OG1 3.47Å |
| 183 | K | 94.2 | Very high | 94.4 | Very high | 184 Ų | 184 | 87.4 Ų | 87.4 | 80% | 0.8 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 138.3 | -175 | -174.2 | 175.7 | 173.2 | 113.2 | 0 | 111 | T185 | K183-T185 PolarHBondContact O-N 2.77Å; K183-T185 VanDerWaalsContact O-N 3.16Å |
| 184 | N | 93.8 | Very high | 94.4 | Very high | 141 Ų | 141 | 92.5 Ų | 92.5 | 75% | 0.754 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 21.8 | 178.7 | -57.2 | -15 | 0 | 0 | 0 | 114.5 | ||
| 185 | T | 94.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 96.4 Ų | 96.4 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 137.8 | 170.5 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | K180 A182 K183 | K180-T185 PolarHBondContact O-OG1 2.87Å; A182-T185 HydrophobicContact CB-CG2 3.7Å; A182-T185 WeakPolarHBondContact O-CG2 3.06Å; A182-T185 PolarHBondContact O-N 2.69Å; A182-T185 PolarHBondContact O-OG1 3.47Å; K183-T185 PolarHBondContact O-N 2.77Å; K183-T185 VanDerWaalsContact O-N 3.16Å |
| 186 | V | 94.2 | Very high | 94.2 | Very high | 70 Ų | 70 | 101.4 Ų | 101.4 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 128 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | L278 | V186-L278 HydrophobicContact CG1-CD1 3.58Å; V186-L278 HydrophobicContact CG1-CD2 3.91Å; V186-L278 HydrophobicContact CG1-CG 3.66Å |
| 187 | P | 94.4 | Very high | 94.1 | Very high | 85 Ų | 85 | 107 Ų | 107 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 157.5 | -179.5 | 27.5 | -35.2 | 0 | 0 | 0 | 111.6 | L278 | P187-L278 VanDerWaalsContact O-CD1 3.29Å; P187-L278 WeakPolarHBondContact O-CD1 3.35Å |
| 188 | V | 94.6 | Very high | 94 | Very high | 109 Ų | 109 | 110.5 Ų | 110.5 | 66% | 0.661 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 134.2 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | R190 W192 | V188-R190 PolarHBondContact O-N 3.22Å; V188-W192 HydrophobicContact CG1-CG 4.38Å |
| 189 | P | 95 | Very high | 93.8 | Very high | 51 Ų | 51 | 108.7 Ų | 108.7 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 132.5 | 178.1 | -28.3 | 34.6 | 0 | 0 | 0 | 113.1 | H191 W192 L278 | P189-H191 WeakPolarHBondContact CB-ND1 3.45Å; P189-H191 PolarHBondContact O-N 3.03Å; P189-W192 VanDerWaalsContact O-CD1 3.3Å; P189-W192 PolarHBondContact O-N 2.94Å; P189-L278 HydrophobicContact CG-CD1 4.15Å |
| 190 | R | 91.5 | Very high | 93.6 | Very high | 200 Ų | 200 | 106.4 Ų | 106.4 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -56.2 | -23 | -170.5 | -65.8 | -176.3 | 174 | -165.3 | -2.5 | 115.7 | V188 W192 | V188-R190 PolarHBondContact O-N 3.22Å; R190-W192 PolarHBondContact O-N 3.01Å |
| 191 | H | 94.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 105 Ų | 105 | 32% | 0.324 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -73.9 | -7.2 | -172.9 | 68.6 | -93.8 | 0 | 0 | 0 | 115.1 | P189 C193 F194 Y198 | P189-H191 WeakPolarHBondContact CB-ND1 3.45Å; P189-H191 PolarHBondContact O-N 3.03Å; H191-C193 PolarHBondContact O-N 3.47Å; H191-F194 HydrophobicContact CB-CD2 3.98Å; H191-F194 HydrophobicContact CB-CE2 4.42Å; H191-F194 WeakPolarHBondContact O-CB 3.38Å; H191-F194 PolarHBondContact O-N 3.05Å; H191-F194 VanDerWaalsContact O-N 3.09Å; H191-Y198 HydrophobicContact CB-CD2 3.74Å; H191-Y198 HydrophobicContact CB-CE2 4.38Å; H191-Y198 AromaticContact CD2-CD2 3.89Å; H191-Y198 AromaticContact CE1-CD2 3.72Å; H191-Y198 AromaticContact CE1-CE2 3.95Å; H191-Y198 AromaticContact CG-CD2 3.36Å; H191-Y198 AromaticContact CG-CE2 3.98Å; H191-Y198 AromaticContact ND1-CD2 3.25Å; H191-Y198 VanDerWaalsContact ND1-CD2 3.25Å; H191-Y198 WeakPolarHBondContact ND1-CD2 3.48Å; H191-Y198 AromaticContact ND1-CE2 3.42Å; H191-Y198 WeakPolarHBondContact ND1-CE2 3.46Å |
| 192 | W | 94.8 | Very high | 92.8 | Very high | 144 Ų | 144 | 106.7 Ų | 106.7 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -60.6 | -29 | -176.7 | 74.4 | -92.9 | 0 | 0 | 0 | 113.7 | H166 V188 P189 R190 | H166-W192 HydrophobicContact CB-CH2 4.15Å; H166-W192 HydrophobicContact CB-CZ2 4.23Å; H166-W192 AromaticContact CD2-CH2 3.79Å; H166-W192 AromaticContact CD2-CZ2 3.44Å; H166-W192 VanDerWaalsContact CD2-CZ2 3.44Å; H166-W192 WeakPolarHBondContact CD2-CZ2 3.39Å; H166-W192 AromaticContact CE1-CH2 3.47Å; H166-W192 VanDerWaalsContact CE1-CH2 3.47Å; H166-W192 WeakPolarHBondContact CE1-CH2 3.43Å; H166-W192 AromaticContact CE1-CZ2 3.8Å; H166-W192 AromaticContact CG-CH2 3.65Å; H166-W192 AromaticContact CG-CZ2 3.73Å; H166-W192 AromaticContact ND1-CH2 3.51Å; H166-W192 AromaticContact ND1-CZ2 4Å; H166-W192 AromaticContact NE2-CH2 3.66Å; H166-W192 AromaticContact NE2-CZ2 3.46Å; H166-W192 WeakPolarHBondContact NE2-CZ2 3.33Å; V188-W192 HydrophobicContact CG1-CG 4.38Å; P189-W192 VanDerWaalsContact O-CD1 3.3Å; P189-W192 PolarHBondContact O-N 2.94Å; R190-W192 PolarHBondContact O-N 3.01Å |
| 193 | C | 92.7 | Very high | 92.1 | Very high | 61 Ų | 61 | 116 Ų | 116 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -96 | 0.7 | 179.9 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | H191 | H191-C193 PolarHBondContact O-N 3.47Š|
| 194 | F | 93.8 | Very high | 91.7 | Very high | 123 Ų | 123 | 111.1 Ų | 111.1 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | trans | -83.5 | 143.3 | -178.5 | -63.1 | -10.9 | 0 | 0 | 0 | 111.4 | H191 R196 | H191-F194 HydrophobicContact CB-CD2 3.98Å; H191-F194 HydrophobicContact CB-CE2 4.42Å; H191-F194 WeakPolarHBondContact O-CB 3.38Å; H191-F194 PolarHBondContact O-N 3.05Å; H191-F194 VanDerWaalsContact O-N 3.09Å; F194-R196 VanDerWaalsContact C-N 3.28Å | ||
| 195 | K | 93.6 | Very high | 91.2 | Very high | 223 Ų | 223 | 110.9 Ų | 110.9 | 97% | 0.97 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -75.4 | -19.2 | 174.5 | -64.9 | -178.5 | -178 | 177.1 | 0 | 112.8 | ||
| 196 | R | 91.8 | Very high | 90.8 | Very high | 192 Ų | 192 | 116.9 Ų | 116.9 | 73% | 0.725 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -87.2 | 151 | -179.6 | -62.7 | -177.9 | -175.5 | 134.7 | -0.6 | 110 | F194 | F194-R196 VanDerWaalsContact C-N 3.28Š|
| 197 | K | 92.7 | Very high | 90.6 | Very high | 180 Ų | 180 | 122.1 Ų | 122.1 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | trans | -65.4 | 146.7 | 168.5 | -62.2 | -176.7 | 179.4 | -178.6 | 0 | 109 | L199 A200 | K197-L199 VanDerWaalsContact C-N 3.26Å; K197-L199 PolarHBondContact O-N 3.06Å; K197-A200 HydrophobicContact CB-CB 4.18Å; K197-A200 WeakPolarHBondContact O-CB 3.5Å; K197-A200 PolarHBondContact O-N 3.47Å | ||
| 198 | Y | 92.6 | Very high | 90.4 | Very high | 75 Ų | 75 | 122.8 Ų | 122.8 | 29% | 0.294 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -44.2 | -38.5 | -168 | 174.3 | -124.7 | 0 | 0 | 0 | 116.7 | H191 Y279 | H191-Y198 HydrophobicContact CB-CD2 3.74Å; H191-Y198 HydrophobicContact CB-CE2 4.38Å; H191-Y198 AromaticContact CD2-CD2 3.89Å; H191-Y198 AromaticContact CE1-CD2 3.72Å; H191-Y198 AromaticContact CE1-CE2 3.95Å; H191-Y198 AromaticContact CG-CD2 3.36Å; H191-Y198 AromaticContact CG-CE2 3.98Å; H191-Y198 AromaticContact ND1-CD2 3.25Å; H191-Y198 VanDerWaalsContact ND1-CD2 3.25Å; H191-Y198 WeakPolarHBondContact ND1-CD2 3.48Å; H191-Y198 AromaticContact ND1-CE2 3.42Å; H191-Y198 WeakPolarHBondContact ND1-CE2 3.46Å; Y198-Y279 HydrophobicContact CE1-CD1 4.37Å; Y198-Y279 VanDerWaalsContact OH-C 3.3Å; Y198-Y279 WeakPolarHBondContact OH-CD1 3.3Å; Y198-Y279 PolarHBondContact OH-O 3.11Å |
| 199 | L | 91.7 | Very high | 90.3 | Very high | 85 Ų | 85 | 123.4 Ų | 123.4 | 45% | 0.445 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.8 | 15.6 | -178.1 | -66.7 | 178.6 | 0 | 0 | 0 | 113.9 | K197 G201 K202 Y279 | K197-L199 VanDerWaalsContact C-N 3.26Å; K197-L199 PolarHBondContact O-N 3.06Å; L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.89Å; L199-K202 HydrophobicContact CD2-CD 4.35Å; L199-K202 PolarHBondContact O-N 3.28Å; L199-Y279 HydrophobicContact CD2-CE1 4.14Å |
| 200 | A | 90.7 | Very high | 90.3 | Very high | 52 Ų | 52 | 129.2 Ų | 129.2 | 43% | 0.43 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -74.8 | -20.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K197 K202 R203 | K197-A200 HydrophobicContact CB-CB 4.18Å; K197-A200 WeakPolarHBondContact O-CB 3.5Å; K197-A200 PolarHBondContact O-N 3.47Å; A200-K202 VanDerWaalsContact C-N 3.26Å; A200-K202 PolarHBondContact O-N 3.13Å; A200-R203 PolarHBondContact O-N 3.03Å |
| 201 | G | 86.7 | Confident | 90.4 | Very high | 29 Ų | 29 | 126.5 Ų | 126.5 | 30% | 0.299 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -71.1 | -20.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L199 R203 F205 E281 | L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.89Å; G201-R203 PolarHBondContact O-N 2.86Å; G201-F205 WeakPolarHBondContact O-CE2 3.31Å; G201-E281 WeakPolarHBondContact CA-OE1 3.47Å; G201-E281 PolarHBondContact N-OE1 3.49Å |
| 202 | K | 87.5 | Confident | 90.4 | Very high | 62 Ų | 62 | 125.3 Ų | 125.3 | 27% | 0.27 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -69.2 | -7.1 | 173.7 | -65.7 | -162.8 | 168 | -163.9 | 0 | 115 | L199 A200 G204 F205 Y279 E281 E284 | L199-K202 HydrophobicContact CD2-CD 4.35Å; L199-K202 PolarHBondContact O-N 3.28Å; A200-K202 VanDerWaalsContact C-N 3.26Å; A200-K202 PolarHBondContact O-N 3.13Å; K202-G204 PolarHBondContact O-N 2.93Å; K202-F205 PolarHBondContact O-N 3.4Å; K202-F205 VanDerWaalsContact O-N 3.07Å; K202-Y279 WeakPolarHBondContact CE-OH 3.4Å; K202-Y279 PolarHBondContact NZ-OH 3.21Å; K202-E281 HydrophobicContact CG-CG 4.17Å; K202-E281 PolarHBondContact N-OE1 2.99Å; K202-E284 WeakPolarHBondContact CE-OE1 3.35Å; K202-E284 IonicContact NZ-OE1 2.9Å; K202-E284 PolarHBondContact NZ-OE1 3.45Å; K202-E284 IonicContact NZ-OE2 3.54Å; K202-E284 PolarHBondContact NZ-OE2 3.07Å |
| 203 | R | 80.2 | Confident | 90.3 | Very high | 235 Ų | 235 | 120.8 Ų | 120.8 | 89% | 0.887 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 105.5 | 178 | -173.1 | 176.6 | 178.7 | 167.6 | 0.2 | 109.5 | A200 G201 | A200-R203 PolarHBondContact O-N 3.03Å; G201-R203 PolarHBondContact O-N 2.86Å |
| 204 | G | 84.7 | Confident | 90.3 | Very high | 80 Ų | 80 | 121.6 Ų | 121.6 | 83% | 0.825 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120 | -12.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K202 | K202-G204 PolarHBondContact O-N 2.93Š|
| 205 | F | 83.3 | Confident | 90.4 | Very high | 136 Ų | 136 | 116.4 Ų | 116.4 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | trans | -91.1 | 119.1 | 171.3 | -65.8 | -88.6 | 0 | 0 | 0 | 109.2 | G201 K202 K207 F285 | G201-F205 WeakPolarHBondContact O-CE2 3.31Å; K202-F205 PolarHBondContact O-N 3.4Å; K202-F205 VanDerWaalsContact O-N 3.07Å; F205-K207 PolarHBondContact O-N 3.49Å; F205-F285 HydrophobicContact CD1-CZ 4.26Å | ||
| 206 | E | 86.5 | Confident | 90.4 | Very high | 192 Ų | 192 | 107.6 Ų | 107.6 | 90% | 0.897 | 54% | 0.537 | S | S | * | . | trans | -81.1 | 110.1 | 172.5 | -169.9 | 165.8 | -165 | 0 | 0 | 108.7 | ||||
| 207 | K | 89.4 | Confident | 90.5 | Very high | 180 Ų | 180 | 101.8 Ų | 101.8 | 78% | 0.783 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 133.2 | 174.4 | -172.1 | -169.7 | 172.1 | -174.9 | 0 | 107.8 | F205 | F205-K207 PolarHBondContact O-N 3.49Š|
| 208 | P | 90.6 | Very high | 90.5 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 153.5 | 171.3 | 25.9 | -34.5 | 0 | 0 | 0 | 110.7 | ||
| 209 | P | 93.2 | Very high | 90.6 | Very high | 123 Ų | 123 | 97.2 Ų | 97.2 | 80% | 0.799 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 172.1 | 173.5 | 27.5 | -34.4 | 0 | 0 | 0 | 111.2 | E211 | P209-E211 PolarHBondContact O-N 3.45Š|
| 210 | F | 94.5 | Very high | 90.6 | Very high | 172 Ų | 172 | 94 Ų | 94 | 75% | 0.754 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 122.3 | -178.1 | -176.4 | -113 | 0 | 0 | 0 | 111.2 | L212 | F210-L212 HydrophobicContact CD1-CD2 4.07Å; F210-L212 HydrophobicContact CE1-CD2 3.89Å |
| 211 | E | 92.7 | Very high | 90.7 | Very high | 144 Ų | 144 | 92.8 Ų | 92.8 | 67% | 0.673 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 118.5 | 171.8 | -174.3 | 179.6 | 175.3 | 0 | 0 | 109.5 | P209 R217 | P209-E211 PolarHBondContact O-N 3.45Å; E211-R217 IonicContact OE1-CZ 2.72Å; E211-R217 IonicContact OE1-NH1 2.69Å; E211-R217 IonicContact OE1-NH2 2.61Å; E211-R217 PolarHBondContact OE1-NH2 3.22Å |
| 212 | L | 94 | Very high | 91 | Very high | 45 Ų | 45 | 95.1 Ų | 95.1 | 24% | 0.236 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 140.6 | 176.3 | -70.8 | 171.7 | 0 | 0 | 0 | 110.5 | F210 I216 R217 I221 M222 | F210-L212 HydrophobicContact CD1-CD2 4.07Å; F210-L212 HydrophobicContact CE1-CD2 3.89Å; L212-I216 HydrophobicContact CD1-CG2 4.46Å; L212-I216 HydrophobicContact CD2-CG2 4.3Å; L212-R217 PolarHBondContact O-NH2 2.77Å; L212-I221 HydrophobicContact CD1-CG2 4.41Å; L212-M222 HydrophobicContact CD1-CB 4.14Å; L212-M222 HydrophobicContact CD1-CG 4.44Å |
| 213 | P | 94.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 98.8 Ų | 98.8 | 31% | 0.312 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 146 | 169.6 | -23.9 | 33 | 0 | 0 | 0 | 111.5 | F215 I216 R217 | P213-F215 VanDerWaalsContact C-N 3.33Å; P213-F215 HydrophobicContact CB-CD1 3.92Å; P213-F215 HydrophobicContact CB-CE1 3.37Å; P213-F215 HydrophobicContact CB-CE2 4.45Å; P213-F215 HydrophobicContact CB-CZ 3.65Å; P213-F215 HydrophobicContact CG-CE1 4.31Å; P213-F215 HydrophobicContact CG-CZ 4.19Å; P213-F215 PolarHBondContact O-N 2.95Å; P213-I216 HydrophobicContact CG-CD1 4.29Å; P213-I216 PolarHBondContact O-N 2.98Å; P213-R217 PolarHBondContact O-N 3.41Å |
| 214 | E | 92.9 | Very high | 91.8 | Very high | 78 Ų | 78 | 90.2 Ų | 90.2 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.5 | -42.6 | -171.5 | -178.8 | 55 | -150.7 | 0 | 0 | 113.1 | I216 R217 R218 | E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.23Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 3.09Å; E214-R217 VanDerWaalsContact O-N 3.17Å; E214-R217 IonicContact OE2-CZ 3.76Å; E214-R217 IonicContact OE2-NE 2.87Å; E214-R217 IonicContact OE2-NH1 3.65Å; E214-R217 PolarHBondContact OE2-NH1 3.45Å; E214-R218 VanDerWaalsContact CG-NH2 3.31Å; E214-R218 WeakPolarHBondContact O-CG 3.44Å; E214-R218 PolarHBondContact O-N 2.64Å; E214-R218 IonicContact OE1-CZ 3.77Å; E214-R218 IonicContact OE1-NE 2.66Å; E214-R218 PolarHBondContact OE1-NE 3.04Å; E214-R218 IonicContact OE1-NH2 3.31Å |
| 215 | F | 94.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 93.6 Ų | 93.6 | 7% | 0.066 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.8 | -30.8 | 177.7 | 59.3 | -88.8 | 0 | 0 | 0 | 113.5 | P213 A262 W266 T268 | P213-F215 VanDerWaalsContact C-N 3.33Å; P213-F215 HydrophobicContact CB-CD1 3.92Å; P213-F215 HydrophobicContact CB-CE1 3.37Å; P213-F215 HydrophobicContact CB-CE2 4.45Å; P213-F215 HydrophobicContact CB-CZ 3.65Å; P213-F215 HydrophobicContact CG-CE1 4.31Å; P213-F215 HydrophobicContact CG-CZ 4.19Å; P213-F215 PolarHBondContact O-N 2.95Å; F215-A262 WeakPolarHBondContact CD2-O 3.29Å; F215-W266 HydrophobicContact CB-CB 4.19Å; F215-W266 WeakPolarHBondContact CB-O 3.45Å; F215-T268 VanDerWaalsContact CD1-OG1 3.27Å; F215-T268 WeakPolarHBondContact CD1-OG1 3.42Å; F215-T268 WeakPolarHBondContact CE1-OG1 3.33Å |
| 216 | I | 94.5 | Very high | 92.7 | Very high | 38 Ų | 38 | 92 Ų | 92 | 20% | 0.195 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -77.3 | -39.5 | 173.3 | -58.6 | -175.8 | 0 | 0 | 0 | 110.1 | L212 P213 E214 R218 T219 I221 F263 | L212-I216 HydrophobicContact CD1-CG2 4.46Å; L212-I216 HydrophobicContact CD2-CG2 4.3Å; P213-I216 HydrophobicContact CG-CD1 4.29Å; P213-I216 PolarHBondContact O-N 2.98Å; E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.23Å; I216-R218 VanDerWaalsContact C-N 3.3Å; I216-R218 PolarHBondContact O-N 3.5Å; I216-T219 WeakPolarHBondContact O-CB 3.27Å; I216-T219 WeakPolarHBondContact O-CG2 3.45Å; I216-T219 PolarHBondContact O-N 3.45Å; I216-T219 VanDerWaalsContact O-N 3.13Å; I216-T219 PolarHBondContact O-OG1 3.34Å; I216-I221 HydrophobicContact CG2-CG2 4.17Å; I216-F263 HydrophobicContact CD1-CE1 4.34Å; I216-F263 HydrophobicContact CD1-CZ 4.24Å |
| 217 | R | 93.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 84.9 Ų | 84.9 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 178.5 | -168.6 | -174.2 | -56.7 | 157 | -5.6 | 111.6 | E211 L212 P213 E214 T219 G220 M222 | E211-R217 IonicContact OE1-CZ 2.72Å; E211-R217 IonicContact OE1-NH1 2.69Å; E211-R217 IonicContact OE1-NH2 2.61Å; E211-R217 PolarHBondContact OE1-NH2 3.22Å; L212-R217 PolarHBondContact O-NH2 2.77Å; P213-R217 PolarHBondContact O-N 3.41Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 3.09Å; E214-R217 VanDerWaalsContact O-N 3.17Å; E214-R217 IonicContact OE2-CZ 3.76Å; E214-R217 IonicContact OE2-NE 2.87Å; E214-R217 IonicContact OE2-NH1 3.65Å; E214-R217 PolarHBondContact OE2-NH1 3.45Å; R217-T219 PolarHBondContact O-N 3.22Å; R217-T219 VanDerWaalsContact O-N 3.13Å; R217-G220 PolarHBondContact O-N 2.81Å; R217-M222 HydrophobicContact CG-CE 4.07Å; R217-M222 HydrophobicContact CG-SD 4.46Å |
| 218 | R | 93.4 | Very high | 93.2 | Very high | 153 Ų | 153 | 78 Ų | 78 | 58% | 0.577 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17 | 176.6 | -70.5 | 176.3 | -161.7 | 165 | -1.2 | 115 | E214 I216 G220 | E214-R218 VanDerWaalsContact CG-NH2 3.31Å; E214-R218 WeakPolarHBondContact O-CG 3.44Å; E214-R218 PolarHBondContact O-N 2.64Å; E214-R218 IonicContact OE1-CZ 3.77Å; E214-R218 IonicContact OE1-NE 2.66Å; E214-R218 PolarHBondContact OE1-NE 3.04Å; E214-R218 IonicContact OE1-NH2 3.31Å; I216-R218 VanDerWaalsContact C-N 3.3Å; I216-R218 PolarHBondContact O-N 3.5Å; R218-G220 PolarHBondContact O-N 3.5Å |
| 219 | T | 94 | Very high | 93.3 | Very high | 6 Ų | 6 | 78.9 Ų | 78.9 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.7 | 172.4 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | I216 R217 I221 L259 A262 | I216-T219 WeakPolarHBondContact O-CB 3.27Å; I216-T219 WeakPolarHBondContact O-CG2 3.45Å; I216-T219 PolarHBondContact O-N 3.45Å; I216-T219 VanDerWaalsContact O-N 3.13Å; I216-T219 PolarHBondContact O-OG1 3.34Å; R217-T219 PolarHBondContact O-N 3.22Å; R217-T219 VanDerWaalsContact O-N 3.13Å; T219-I221 PolarHBondContact O-N 3.32Å; T219-I221 WeakPolarHBondContact OG1-CB 3.33Å; T219-I221 VanDerWaalsContact OG1-CG2 3.27Å; T219-I221 WeakPolarHBondContact OG1-CG2 3.42Å; T219-I221 PolarHBondContact OG1-N 2.83Å; T219-L259 HydrophobicContact CG2-CD2 3.96Å; T219-A262 HydrophobicContact CG2-CB 3.57Å |
| 220 | G | 92.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 77.6 Ų | 77.6 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R217 R218 M222 E223 M224 | R217-G220 PolarHBondContact O-N 2.81Å; R218-G220 PolarHBondContact O-N 3.5Å; G220-M222 PolarHBondContact O-N 3.48Å; G220-E223 PolarHBondContact O-N 3.46Å; G220-M224 VanDerWaalsContact O-CE 3.24Å; G220-M224 WeakPolarHBondContact O-CE 3.03Å; G220-M224 PolarHBondContact O-N 3.47Å; G220-M224 VanDerWaalsContact O-N 3.1Å |
| 221 | I | 92.2 | Very high | 93.2 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59 | -31.9 | -177.6 | -171.3 | 63.8 | 0 | 0 | 0 | 113.1 | L212 I216 T219 R225 I252 I254 | L212-I221 HydrophobicContact CD1-CG2 4.41Å; I216-I221 HydrophobicContact CG2-CG2 4.17Å; T219-I221 PolarHBondContact O-N 3.32Å; T219-I221 WeakPolarHBondContact OG1-CB 3.33Å; T219-I221 VanDerWaalsContact OG1-CG2 3.27Å; T219-I221 WeakPolarHBondContact OG1-CG2 3.42Å; T219-I221 PolarHBondContact OG1-N 2.83Å; I221-R225 HydrophobicContact CD1-CG 3.94Å; I221-R225 HydrophobicContact CG1-CG 4.2Å; I221-R225 VanDerWaalsContact O-CB 3.31Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 WeakPolarHBondContact O-CG 3.25Å; I221-R225 PolarHBondContact O-N 3.15Å; I221-I252 HydrophobicContact CD1-CG2 4.18Å; I221-I254 HydrophobicContact CB-CD1 4.16Å; I221-I254 HydrophobicContact CD1-CD1 3.36Å; I221-I254 HydrophobicContact CG1-CD1 4.31Å |
| 222 | M | 92.8 | Very high | 93.2 | Very high | 79 Ų | 79 | 73.3 Ų | 73.3 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -52 | 179.8 | -171.3 | 175.1 | 72.4 | 0 | 0 | 110.9 | L212 R217 G220 Q226 | L212-M222 HydrophobicContact CD1-CB 4.14Å; L212-M222 HydrophobicContact CD1-CG 4.44Å; R217-M222 HydrophobicContact CG-CE 4.07Å; R217-M222 HydrophobicContact CG-SD 4.46Å; G220-M222 PolarHBondContact O-N 3.48Å; M222-Q226 VanDerWaalsContact O-CB 3.27Å; M222-Q226 WeakPolarHBondContact O-CB 3.49Å; M222-Q226 PolarHBondContact O-N 3.45Å |
| 223 | E | 93.4 | Very high | 93.2 | Very high | 138 Ų | 138 | 77.5 Ų | 77.5 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.6 | -44.1 | -179.6 | -63.7 | 170.8 | -173.4 | 0 | 0 | 111.5 | G220 R225 Q226 S227 | G220-E223 PolarHBondContact O-N 3.46Å; E223-R225 PolarHBondContact O-N 3Å; E223-Q226 PolarHBondContact O-N 3.47Å; E223-S227 WeakPolarHBondContact O-CB 3.44Å; E223-S227 PolarHBondContact O-N 2.99Å |
| 224 | M | 91.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 83 Ų | 83 | 28% | 0.276 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 177.8 | -76.6 | -177.5 | -84.6 | 0 | 0 | 112.1 | G220 S227 L228 I252 I254 | G220-M224 VanDerWaalsContact O-CE 3.24Å; G220-M224 WeakPolarHBondContact O-CE 3.03Å; G220-M224 PolarHBondContact O-N 3.47Å; G220-M224 VanDerWaalsContact O-N 3.1Å; M224-S227 PolarHBondContact O-OG 3.4Å; M224-L228 WeakPolarHBondContact O-CG 3.04Å; M224-L228 PolarHBondContact O-N 2.92Å; M224-I252 HydrophobicContact SD-CG2 4.49Å; M224-I254 HydrophobicContact CE-CD1 3.25Å; M224-I254 HydrophobicContact CE-CG1 3.42Å; M224-I254 VanDerWaalsContact CE-CG1 3.42Å; M224-I254 HydrophobicContact SD-CD1 4Å; M224-I254 HydrophobicContact SD-CG1 3.71Å |
| 225 | R | 93.6 | Very high | 93.1 | Very high | 150 Ų | 150 | 81.6 Ų | 81.6 | 57% | 0.566 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.7 | -39.6 | 178 | -75.2 | -174.8 | -178.7 | -79.8 | -4.4 | 112.4 | I221 E223 L228 Q229 I252 | I221-R225 HydrophobicContact CD1-CG 3.94Å; I221-R225 HydrophobicContact CG1-CG 4.2Å; I221-R225 VanDerWaalsContact O-CB 3.31Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 WeakPolarHBondContact O-CG 3.25Å; I221-R225 PolarHBondContact O-N 3.15Å; E223-R225 PolarHBondContact O-N 3Å; R225-L228 PolarHBondContact O-N 3.05Å; R225-Q229 PolarHBondContact O-N 2.94Å; R225-I252 HydrophobicContact CG-CD1 3.87Å |
| 226 | Q | 93.5 | Very high | 93.1 | Very high | 104 Ų | 104 | 84.2 Ų | 84.2 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 176.3 | -177.2 | 175.3 | -8 | 0 | 0 | 110.9 | M222 E223 L228 Q229 E230 | M222-Q226 VanDerWaalsContact O-CB 3.27Å; M222-Q226 WeakPolarHBondContact O-CB 3.49Å; M222-Q226 PolarHBondContact O-N 3.45Å; E223-Q226 PolarHBondContact O-N 3.47Å; Q226-L228 PolarHBondContact O-N 3.1Å; Q226-Q229 PolarHBondContact O-N 2.91Å; Q226-Q229 VanDerWaalsContact O-N 3.11Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.45Å; Q226-E230 PolarHBondContact NE2-OE1 3.49Å; Q226-E230 VanDerWaalsContact NE2-OE1 3.13Å; Q226-E230 WeakPolarHBondContact O-CG 3.37Å; Q226-E230 PolarHBondContact O-N 3.31Å |
| 227 | S | 93 | Very high | 92.9 | Very high | 42 Ų | 42 | 89.4 Ų | 89.4 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.9 | -30.9 | 177.5 | 79.3 | 0 | 0 | 0 | 0 | 113.3 | E223 M224 K231 | E223-S227 WeakPolarHBondContact O-CB 3.44Å; E223-S227 PolarHBondContact O-N 2.99Å; M224-S227 PolarHBondContact O-OG 3.4Å; S227-K231 WeakPolarHBondContact O-CB 3.44Å; S227-K231 WeakPolarHBondContact O-CD 3.11Å; S227-K231 WeakPolarHBondContact O-CG 3.13Å; S227-K231 PolarHBondContact O-N 3.21Å |
| 228 | L | 91.7 | Very high | 93 | Very high | 35 Ų | 35 | 94.4 Ų | 94.4 | 18% | 0.183 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76.9 | -36.7 | 176 | -78.3 | 175.8 | 0 | 0 | 0 | 113.1 | M224 R225 Q226 K231 E232 K251 I252 | M224-L228 WeakPolarHBondContact O-CG 3.04Å; M224-L228 PolarHBondContact O-N 2.92Å; R225-L228 PolarHBondContact O-N 3.05Å; Q226-L228 PolarHBondContact O-N 3.1Å; L228-K231 PolarHBondContact O-N 3.24Å; L228-E232 VanDerWaalsContact O-CB 3.3Å; L228-E232 WeakPolarHBondContact O-CB 3.16Å; L228-E232 PolarHBondContact O-N 3.08Å; L228-K251 HydrophobicContact CD1-CB 3.97Å; L228-K251 HydrophobicContact CD2-CB 3.87Å; L228-K251 HydrophobicContact CD2-CD 4.33Å; L228-K251 HydrophobicContact CD2-CG 4.32Å; L228-I252 HydrophobicContact CD1-CB 4.44Å; L228-I252 HydrophobicContact CD1-CD1 3.58Å; L228-I252 HydrophobicContact CD1-CG1 3.07Å; L228-I252 HydrophobicContact CG-CG1 4.47Å |
| 229 | Q | 93.1 | Very high | 92.8 | Very high | 118 Ų | 118 | 89.9 Ų | 89.9 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.4 | -45.9 | 174.5 | -174.7 | 175.5 | -14.2 | 0 | 0 | 110.1 | R225 Q226 K231 E232 E233 | R225-Q229 PolarHBondContact O-N 2.94Å; Q226-Q229 PolarHBondContact O-N 2.91Å; Q226-Q229 VanDerWaalsContact O-N 3.11Å; Q229-K231 PolarHBondContact O-N 3.23Å; Q229-E232 CarbonylContact O-C 3.54Å; Q229-E232 PolarHBondContact O-N 3.2Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.46Å; Q229-E233 PolarHBondContact NE2-OE1 3.14Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 2.95Å |
| 230 | E | 94.4 | Very high | 92.8 | Very high | 96 Ų | 96 | 93.4 Ų | 93.4 | 45% | 0.449 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58 | -48.9 | 174.2 | -70.3 | 169.7 | -172.9 | 0 | 0 | 111 | Q226 E232 E233 E234 | Q226-E230 WeakPolarHBondContact CG-OE1 3.45Å; Q226-E230 PolarHBondContact NE2-OE1 3.49Å; Q226-E230 VanDerWaalsContact NE2-OE1 3.13Å; Q226-E230 WeakPolarHBondContact O-CG 3.37Å; Q226-E230 PolarHBondContact O-N 3.31Å; E230-E232 PolarHBondContact O-N 2.86Å; E230-E233 PolarHBondContact O-N 3.01Å; E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 3.47Å |
| 231 | K | 92.5 | Very high | 92.7 | Very high | 115 Ų | 115 | 97.4 Ų | 97.4 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -27.3 | 173.9 | -76.2 | 170.3 | -176.7 | 165.9 | 0 | 113.5 | S227 L228 Q229 K235 | S227-K231 WeakPolarHBondContact O-CB 3.44Å; S227-K231 WeakPolarHBondContact O-CD 3.11Å; S227-K231 WeakPolarHBondContact O-CG 3.13Å; S227-K231 PolarHBondContact O-N 3.21Å; L228-K231 PolarHBondContact O-N 3.24Å; Q229-K231 PolarHBondContact O-N 3.23Å; K231-K235 WeakPolarHBondContact O-CD 3.4Å; K231-K235 VanDerWaalsContact O-CE 3.27Å; K231-K235 WeakPolarHBondContact O-CE 3.17Å; K231-K235 WeakPolarHBondContact O-CG 3.41Å |
| 232 | E | 91.1 | Very high | 92.8 | Very high | 110 Ų | 110 | 105.2 Ų | 105.2 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -83.7 | -31.3 | 177.8 | -172 | 167.1 | -174.3 | 0 | 0 | 112.3 | L228 Q229 E230 K235 K240 | L228-E232 VanDerWaalsContact O-CB 3.3Å; L228-E232 WeakPolarHBondContact O-CB 3.16Å; L228-E232 PolarHBondContact O-N 3.08Å; Q229-E232 CarbonylContact O-C 3.54Å; Q229-E232 PolarHBondContact O-N 3.2Å; E230-E232 PolarHBondContact O-N 2.86Å; E232-K235 PolarHBondContact O-N 2.92Å; E232-K240 WeakPolarHBondContact O-CE 3.4Å; E232-K240 PolarHBondContact O-NZ 2.93Å |
| 233 | E | 94.3 | Very high | 92.7 | Very high | 133 Ų | 133 | 103.1 Ų | 103.1 | 62% | 0.621 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69 | -37.7 | 173.6 | -72.9 | 176.3 | -168.3 | 0 | 0 | 111.5 | Q229 E230 K235 | Q229-E233 WeakPolarHBondContact CG-OE1 3.46Å; Q229-E233 PolarHBondContact NE2-OE1 3.14Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 2.95Å; E230-E233 PolarHBondContact O-N 3.01Å; E233-K235 VanDerWaalsContact C-N 3.3Å; E233-K235 PolarHBondContact O-N 3.36Å |
| 234 | E | 94.1 | Very high | 92.6 | Very high | 165 Ų | 165 | 105.7 Ų | 105.7 | 77% | 0.771 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -69.6 | -22.6 | 175 | -70.4 | 178.5 | 173.3 | 0 | 0 | 114 | E230 S236 | E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 3.47Å; E234-S236 PolarHBondContact O-N 2.94Å |
| 235 | K | 91.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 108.9 Ų | 108.9 | 20% | 0.204 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -71.6 | 121.9 | -176.7 | -80.7 | 168.7 | -164.4 | -177.4 | 0 | 111.9 | K231 E232 E233 T239 K240 E243 | K231-K235 WeakPolarHBondContact O-CD 3.4Å; K231-K235 VanDerWaalsContact O-CE 3.27Å; K231-K235 WeakPolarHBondContact O-CE 3.17Å; K231-K235 WeakPolarHBondContact O-CG 3.41Å; E232-K235 PolarHBondContact O-N 2.92Å; E233-K235 VanDerWaalsContact C-N 3.3Å; E233-K235 PolarHBondContact O-N 3.36Å; K235-T239 HydrophobicContact CB-CG2 4.44Å; K235-T239 HydrophobicContact CD-CG2 4.31Å; K235-T239 HydrophobicContact CG-CG2 4.01Å; K235-K240 HydrophobicContact CB-CG 4.04Å; K235-K240 VanDerWaalsContact O-CE 3.27Å; K235-K240 WeakPolarHBondContact O-CE 3.35Å; K235-E243 WeakPolarHBondContact CE-OE1 3.24Å; K235-E243 IonicContact NZ-OE1 2.87Å; K235-E243 PolarHBondContact NZ-OE1 3.06Å; K235-E243 IonicContact NZ-OE2 2.98Å; K235-E243 PolarHBondContact NZ-OE2 3.35Å |
| 236 | S | 92.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 111.4 Ų | 111.4 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | trans | -54.1 | 149.1 | 166.8 | -180 | 0 | 0 | 0 | 0 | 112.3 | E234 K238 T239 K240 | E234-S236 PolarHBondContact O-N 2.94Å; S236-K238 PolarHBondContact O-N 3.32Å; S236-K238 VanDerWaalsContact O-N 3.12Å; S236-T239 WeakPolarHBondContact O-CA 3.46Å; S236-T239 WeakPolarHBondContact O-CB 3.39Å; S236-T239 PolarHBondContact O-N 3.48Å; S236-K240 PolarHBondContact O-N 3.13Å | ||
| 237 | L | 91.8 | Very high | 92.4 | Very high | 147 Ų | 147 | 110.4 Ų | 110.4 | 77% | 0.77 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -51.7 | -36.1 | 175.1 | -163.4 | 97.6 | 0 | 0 | 0 | 112.4 | K240 M241 | L237-K240 PolarHBondContact O-N 3.25Å; L237-M241 PolarHBondContact O-N 3.42Å |
| 238 | K | 94.2 | Very high | 92.1 | Very high | 176 Ų | 176 | 115.6 Ų | 115.6 | 77% | 0.765 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 175.3 | -71.8 | -175.6 | 178 | 177.4 | 0 | 111.9 | S236 M241 R242 | S236-K238 PolarHBondContact O-N 3.32Å; S236-K238 VanDerWaalsContact O-N 3.12Å; K238-M241 PolarHBondContact O-N 3.12Å; K238-R242 PolarHBondContact O-N 3.49Å |
| 239 | T | 91 | Very high | 91.9 | Very high | 57 Ų | 57 | 121.9 Ų | 121.9 | 35% | 0.35 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -42.3 | 177.1 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | K235 S236 M241 R242 E243 | K235-T239 HydrophobicContact CB-CG2 4.44Å; K235-T239 HydrophobicContact CD-CG2 4.31Å; K235-T239 HydrophobicContact CG-CG2 4.01Å; S236-T239 WeakPolarHBondContact O-CA 3.46Å; S236-T239 WeakPolarHBondContact O-CB 3.39Å; S236-T239 PolarHBondContact O-N 3.48Å; T239-M241 VanDerWaalsContact C-N 3.35Å; T239-M241 PolarHBondContact O-N 3.45Å; T239-R242 PolarHBondContact O-N 2.7Å; T239-E243 PolarHBondContact O-N 3.49Å |
| 240 | K | 92.6 | Very high | 91.5 | Very high | 80 Ų | 80 | 119.2 Ų | 119.2 | 35% | 0.348 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.2 | -42.6 | 174.3 | -66.2 | -174.2 | 177.6 | -177 | 0 | 112.1 | E232 K235 S236 L237 R244 | E232-K240 WeakPolarHBondContact O-CE 3.4Å; E232-K240 PolarHBondContact O-NZ 2.93Å; K235-K240 HydrophobicContact CB-CG 4.04Å; K235-K240 VanDerWaalsContact O-CE 3.27Å; K235-K240 WeakPolarHBondContact O-CE 3.35Å; S236-K240 PolarHBondContact O-N 3.13Å; L237-K240 PolarHBondContact O-N 3.25Å; K240-R244 PolarHBondContact O-N 3.26Å; K240-R244 VanDerWaalsContact O-N 3.08Å |
| 241 | M | 91.8 | Very high | 91 | Very high | 101 Ų | 101 | 119.5 Ų | 119.5 | 50% | 0.498 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -36.5 | 176.9 | -170.7 | 62.1 | -177.3 | 0 | 0 | 112.5 | L237 K238 T239 R244 | L237-M241 PolarHBondContact O-N 3.42Å; K238-M241 PolarHBondContact O-N 3.12Å; T239-M241 VanDerWaalsContact C-N 3.35Å; T239-M241 PolarHBondContact O-N 3.45Å; M241-R244 PolarHBondContact O-N 2.61Å |
| 242 | R | 93.1 | Very high | 90.7 | Very high | 190 Ų | 190 | 116.8 Ų | 116.8 | 72% | 0.717 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.1 | -46.1 | 175.4 | -171.6 | -174.2 | -60.4 | -117.4 | 0.7 | 111.9 | K238 T239 R244 I245 R246 | K238-R242 PolarHBondContact O-N 3.49Å; T239-R242 PolarHBondContact O-N 2.7Å; R242-R244 PolarHBondContact O-N 2.65Å; R242-I245 PolarHBondContact O-N 2.75Å; R242-I245 VanDerWaalsContact O-N 3.16Å; R242-R246 PolarHBondContact O-N 3.09Å |
| 243 | E | 90.5 | Very high | 90.5 | Very high | 35 Ų | 35 | 118 Ų | 118 | 16% | 0.164 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -64 | -27.7 | 177.2 | -76.3 | -169.7 | -169.9 | 0 | 0 | 112.4 | K235 T239 I245 R246 P247 K251 | K235-E243 WeakPolarHBondContact CE-OE1 3.24Å; K235-E243 IonicContact NZ-OE1 2.87Å; K235-E243 PolarHBondContact NZ-OE1 3.06Å; K235-E243 IonicContact NZ-OE2 2.98Å; K235-E243 PolarHBondContact NZ-OE2 3.35Å; T239-E243 PolarHBondContact O-N 3.49Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-R246 CarbonylContact O-C 3.51Å; E243-P247 WeakPolarHBondContact O-CA 3.39Å; E243-K251 IonicContact OE2-NZ 2.68Å; E243-K251 PolarHBondContact OE2-NZ 3.16Å |
| 244 | R | 91.8 | Very high | 90.2 | Very high | 193 Ų | 193 | 112.6 Ų | 112.6 | 73% | 0.728 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -37.7 | 173.5 | -172.7 | -178.7 | -67.8 | 165.8 | -2.6 | 112.6 | K240 M241 R242 | K240-R244 PolarHBondContact O-N 3.26Å; K240-R244 VanDerWaalsContact O-N 3.08Å; M241-R244 PolarHBondContact O-N 2.61Å; R242-R244 PolarHBondContact O-N 2.65Å |
| 245 | I | 93.2 | Very high | 90.1 | Very high | 122 Ų | 122 | 109.5 Ų | 109.5 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -83 | -35.5 | 179.3 | -59 | 171.2 | 0 | 0 | 0 | 110.7 | R242 E243 | R242-I245 PolarHBondContact O-N 2.75Å; R242-I245 VanDerWaalsContact O-N 3.16Å; E243-I245 VanDerWaalsContact C-N 3.34Å |
| 246 | R | 90 | Very high | 90.2 | Very high | 204 Ų | 204 | 116.2 Ų | 116.2 | 77% | 0.77 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -128.3 | 80.8 | 179.2 | -64.7 | -173.7 | -179.3 | -172.3 | -0.7 | 110 | R242 E243 | R242-R246 PolarHBondContact O-N 3.09Å; E243-R246 CarbonylContact O-C 3.51Å |
| 247 | P | 91.2 | Very high | 90.2 | Very high | 82 Ų | 82 | 117.3 Ų | 117.3 | 53% | 0.532 | 56% | 0.555 | S | S | . | * | trans | -69.9 | 135.8 | -178.8 | 27.4 | -33.5 | 0 | 0 | 0 | 110.8 | E243 M249 | E243-P247 WeakPolarHBondContact O-CA 3.39Å; P247-M249 HydrophobicContact CB-SD 4.49Å; P247-M249 PolarHBondContact O-N 2.96Å | ||
| 248 | K | 86.7 | Confident | 90.3 | Very high | 152 Ų | 152 | 115.7 Ų | 115.7 | 66% | 0.661 | 54% | 0.542 | S | S | * | . | trans | -81.5 | 110.4 | 164.2 | -65 | -175.6 | 177.8 | -174.9 | 0 | 107.6 | ||||
| 249 | M | 87.5 | Confident | 90.3 | Very high | 166 Ų | 166 | 110 Ų | 110 | 82% | 0.818 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -74.4 | 162.1 | 175.1 | -58.4 | -60.2 | -75.9 | 0 | 0 | 110.3 | P247 | P247-M249 HydrophobicContact CB-SD 4.49Å; P247-M249 PolarHBondContact O-N 2.96Å |
| 250 | G | 85 | Confident | 90.5 | Very high | 62 Ų | 62 | 111.6 Ų | 111.6 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | trans | 75.6 | 29.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I252 | G250-I252 VanDerWaalsContact C-N 3.31Å; G250-I252 PolarHBondContact O-N 2.99Å | ||
| 251 | K | 83.7 | Confident | 90.6 | Very high | 103 Ų | 103 | 109.2 Ų | 109.2 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -66.1 | -33.5 | 177.5 | -73 | -178.1 | 179.1 | 179.8 | 0 | 112.9 | L228 E243 | L228-K251 HydrophobicContact CD1-CB 3.97Å; L228-K251 HydrophobicContact CD2-CB 3.87Å; L228-K251 HydrophobicContact CD2-CD 4.33Å; L228-K251 HydrophobicContact CD2-CG 4.32Å; E243-K251 IonicContact OE2-NZ 2.68Å; E243-K251 PolarHBondContact OE2-NZ 3.16Å |
| 252 | I | 86.6 | Confident | 90.7 | Very high | 58 Ų | 58 | 104.6 Ų | 104.6 | 30% | 0.297 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -126.1 | 111.7 | 173.9 | -55.8 | 175.8 | 0 | 0 | 0 | 104.7 | I221 M224 R225 L228 G250 I254 | I221-I252 HydrophobicContact CD1-CG2 4.18Å; M224-I252 HydrophobicContact SD-CG2 4.49Å; R225-I252 HydrophobicContact CG-CD1 3.87Å; L228-I252 HydrophobicContact CD1-CB 4.44Å; L228-I252 HydrophobicContact CD1-CD1 3.58Å; L228-I252 HydrophobicContact CD1-CG1 3.07Å; L228-I252 HydrophobicContact CG-CG1 4.47Å; G250-I252 VanDerWaalsContact C-N 3.31Å; G250-I252 PolarHBondContact O-N 2.99Å; I252-I254 HydrophobicContact CG2-CD1 3.8Å; I252-I254 HydrophobicContact CG2-CG1 3.77Å |
| 253 | D | 87.1 | Confident | 90.8 | Very high | 134 Ų | 134 | 100.8 Ų | 100.8 | 72% | 0.717 | 48% | 0.481 | S | S | * | . | trans | -122.9 | 111.2 | 172.5 | -164.5 | 9.2 | 0 | 0 | 0 | 107.4 | ||||
| 254 | I | 86.9 | Confident | 90.9 | Very high | 20 Ų | 20 | 106.4 Ų | 106.4 | 10% | 0.103 | 51% | 0.505 | C | S | . | . | trans | -124.8 | 128.8 | -178.7 | -52.7 | -178.7 | 0 | 0 | 0 | 105.9 | I221 M224 I252 Y256 L259 | I221-I254 HydrophobicContact CB-CD1 4.16Å; I221-I254 HydrophobicContact CD1-CD1 3.36Å; I221-I254 HydrophobicContact CG1-CD1 4.31Å; M224-I254 HydrophobicContact CE-CD1 3.25Å; M224-I254 HydrophobicContact CE-CG1 3.42Å; M224-I254 VanDerWaalsContact CE-CG1 3.42Å; M224-I254 HydrophobicContact SD-CD1 4Å; M224-I254 HydrophobicContact SD-CG1 3.71Å; I252-I254 HydrophobicContact CG2-CD1 3.8Å; I252-I254 HydrophobicContact CG2-CG1 3.77Å; I254-Y256 PolarHBondContact O-N 3.41Å; I254-L259 HydrophobicContact CG2-CD1 4.4Å; I254-L259 HydrophobicContact CG2-CD2 4.06Å; I254-L259 HydrophobicContact CG2-CG 3.99Å | ||
| 255 | D | 92.4 | Very high | 90.9 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | trans | -53.7 | 124.9 | 176.4 | -179.5 | 13.6 | 0 | 0 | 0 | 110.8 | Q257 K258 L259 | D255-Q257 PolarHBondContact O-N 2.98Å; D255-Q257 PolarHBondContact OD1-N 3.25Å; D255-Q257 VanDerWaalsContact OD1-N 3.07Å; D255-K258 HydrophobicContact CB-CB 4.2Å; D255-K258 WeakPolarHBondContact O-CB 3.49Å; D255-K258 PolarHBondContact O-N 3.08Å; D255-L259 PolarHBondContact O-N 2.91Å | ||
| 256 | Y | 93.4 | Very high | 91 | Very high | 188 Ų | 188 | 106.9 Ų | 106.9 | 74% | 0.737 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -33.8 | 179.3 | -65.1 | -67.3 | 0 | 0 | 0 | 111.4 | I254 L259 H260 | I254-Y256 PolarHBondContact O-N 3.41Å; Y256-L259 PolarHBondContact O-N 2.98Å; Y256-H260 WeakPolarHBondContact O-CB 3.27Å; Y256-H260 PolarHBondContact O-N 2.88Å |
| 257 | Q | 94.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 178.4 | -171.8 | 59.5 | 25.6 | 0 | 0 | 111.1 | D255 L259 H260 D261 | D255-Q257 PolarHBondContact O-N 2.98Å; D255-Q257 PolarHBondContact OD1-N 3.25Å; D255-Q257 VanDerWaalsContact OD1-N 3.07Å; Q257-L259 VanDerWaalsContact C-N 3.3Å; Q257-L259 PolarHBondContact O-N 3.46Å; Q257-H260 WeakPolarHBondContact O-CB 3.4Å; Q257-H260 PolarHBondContact O-N 3.34Å; Q257-D261 PolarHBondContact NE2-OD1 3.34Å; Q257-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q257-D261 PolarHBondContact NE2-OD2 3.12Å; Q257-D261 PolarHBondContact O-N 3.38Å |
| 258 | K | 93.5 | Very high | 91.2 | Very high | 113 Ų | 113 | 101.6 Ų | 101.6 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 175.3 | -163.5 | 177.2 | -152.9 | 173.4 | 0 | 112.5 | D255 A262 | D255-K258 HydrophobicContact CB-CB 4.2Å; D255-K258 WeakPolarHBondContact O-CB 3.49Å; D255-K258 PolarHBondContact O-N 3.08Å; K258-A262 WeakPolarHBondContact O-CB 3.36Å; K258-A262 PolarHBondContact O-N 3.34Å; K258-A262 VanDerWaalsContact O-N 3.11Å |
| 259 | L | 94 | Very high | 91.5 | Very high | 56 Ų | 56 | 103.3 Ų | 103.3 | 29% | 0.293 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 174.6 | -66.5 | 179.1 | 0 | 0 | 0 | 111.2 | T219 I254 D255 Y256 Q257 A262 F263 | T219-L259 HydrophobicContact CG2-CD2 3.96Å; I254-L259 HydrophobicContact CG2-CD1 4.4Å; I254-L259 HydrophobicContact CG2-CD2 4.06Å; I254-L259 HydrophobicContact CG2-CG 3.99Å; D255-L259 PolarHBondContact O-N 2.91Å; Y256-L259 PolarHBondContact O-N 2.98Å; Q257-L259 VanDerWaalsContact C-N 3.3Å; Q257-L259 PolarHBondContact O-N 3.46Å; L259-A262 PolarHBondContact O-N 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.4Å; L259-F263 PolarHBondContact O-N 2.82Å |
| 260 | H | 95.4 | Very high | 91.8 | Very high | 90 Ų | 90 | 99.5 Ų | 99.5 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.8 | -52.9 | 175.8 | -177.7 | -84.9 | 0 | 0 | 0 | 110.8 | Y256 Q257 A262 F263 F264 | Y256-H260 WeakPolarHBondContact O-CB 3.27Å; Y256-H260 PolarHBondContact O-N 2.88Å; Q257-H260 WeakPolarHBondContact O-CB 3.4Å; Q257-H260 PolarHBondContact O-N 3.34Å; H260-A262 VanDerWaalsContact C-N 3.28Å; H260-A262 PolarHBondContact O-N 3.22Å; H260-F263 PolarHBondContact O-N 3.1Å; H260-F263 VanDerWaalsContact O-N 3.11Å; H260-F264 AromaticContact CD2-CD2 3.58Å; H260-F264 AromaticContact CD2-CE2 3.7Å; H260-F264 AromaticContact CE1-CD2 3.74Å; H260-F264 AromaticContact CG-CD2 3.88Å; H260-F264 AromaticContact ND1-CD2 3.98Å; H260-F264 AromaticContact NE2-CD2 3.49Å; H260-F264 WeakPolarHBondContact NE2-CD2 3.22Å; H260-F264 AromaticContact NE2-CE2 3.75Å; H260-F264 VanDerWaalsContact O-CD2 3.27Å; H260-F264 WeakPolarHBondContact O-CD2 3.35Å; H260-F264 PolarHBondContact O-N 3.25Å |
| 261 | D | 95.2 | Very high | 92 | Very high | 30 Ų | 30 | 105.8 Ų | 105.8 | 16% | 0.16 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64 | -32.8 | -178.6 | -67 | -23.3 | 0 | 0 | 0 | 112.4 | Q257 F263 R265 W266 | Q257-D261 PolarHBondContact NE2-OD1 3.34Å; Q257-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q257-D261 PolarHBondContact NE2-OD2 3.12Å; Q257-D261 PolarHBondContact O-N 3.38Å; D261-F263 VanDerWaalsContact C-N 3.34Å; D261-F263 PolarHBondContact O-N 3.19Å; D261-R265 HydrophobicContact CB-CB 4.41Å; D261-R265 HydrophobicContact CB-CG 4.2Å; D261-R265 WeakPolarHBondContact O-CA 3.42Å; D261-R265 WeakPolarHBondContact O-CB 3.43Å; D261-R265 PolarHBondContact O-N 3.39Å; D261-R265 WeakPolarHBondContact OD1-CD 3.39Å; D261-R265 IonicContact OD1-CZ 3.69Å; D261-R265 IonicContact OD1-NE 2.99Å; D261-R265 PolarHBondContact OD1-NE 3.29Å; D261-R265 IonicContact OD2-NE 2.76Å; D261-W266 VanDerWaalsContact O-CD1 3.27Å; D261-W266 PolarHBondContact O-N 3.39Å |
| 262 | A | 94.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 107.2 Ų | 107.2 | 4% | 0.041 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F215 T219 K258 L259 H260 | F215-A262 WeakPolarHBondContact CD2-O 3.29Å; T219-A262 HydrophobicContact CG2-CB 3.57Å; K258-A262 WeakPolarHBondContact O-CB 3.36Å; K258-A262 PolarHBondContact O-N 3.34Å; K258-A262 VanDerWaalsContact O-N 3.11Å; L259-A262 PolarHBondContact O-N 3.26Å; H260-A262 VanDerWaalsContact C-N 3.28Å; H260-A262 PolarHBondContact O-N 3.22Å |
| 263 | F | 94.1 | Very high | 92.5 | Very high | 109 Ų | 109 | 108.4 Ų | 108.4 | 48% | 0.478 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -90.9 | -23.5 | -179.1 | -79.7 | -80.1 | 0 | 0 | 0 | 114.1 | I216 L259 H260 D261 Q267 | I216-F263 HydrophobicContact CD1-CE1 4.34Å; I216-F263 HydrophobicContact CD1-CZ 4.24Å; L259-F263 WeakPolarHBondContact O-CD2 3.4Å; L259-F263 PolarHBondContact O-N 2.82Å; H260-F263 PolarHBondContact O-N 3.1Å; H260-F263 VanDerWaalsContact O-N 3.11Å; D261-F263 VanDerWaalsContact C-N 3.34Å; D261-F263 PolarHBondContact O-N 3.19Å; F263-Q267 WeakPolarHBondContact O-CB 3Å |
| 264 | F | 92.9 | Very high | 92.7 | Very high | 153 Ų | 153 | 109.7 Ų | 109.7 | 67% | 0.671 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -108.4 | -46.3 | -176.7 | -69.2 | -79.6 | 0 | 0 | 0 | 113.3 | H260 | H260-F264 AromaticContact CD2-CD2 3.58Å; H260-F264 AromaticContact CD2-CE2 3.7Å; H260-F264 AromaticContact CE1-CD2 3.74Å; H260-F264 AromaticContact CG-CD2 3.88Å; H260-F264 AromaticContact ND1-CD2 3.98Å; H260-F264 AromaticContact NE2-CD2 3.49Å; H260-F264 WeakPolarHBondContact NE2-CD2 3.22Å; H260-F264 AromaticContact NE2-CE2 3.75Å; H260-F264 VanDerWaalsContact O-CD2 3.27Å; H260-F264 WeakPolarHBondContact O-CD2 3.35Å; H260-F264 PolarHBondContact O-N 3.25Å |
| 265 | R | 92.4 | Very high | 93 | Very high | 171 Ų | 171 | 115.7 Ų | 115.7 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -45.6 | -179 | -58.1 | -171.2 | -170.1 | -138.9 | -2.7 | 112.3 | D261 | D261-R265 HydrophobicContact CB-CB 4.41Å; D261-R265 HydrophobicContact CB-CG 4.2Å; D261-R265 WeakPolarHBondContact O-CA 3.42Å; D261-R265 WeakPolarHBondContact O-CB 3.43Å; D261-R265 PolarHBondContact O-N 3.39Å; D261-R265 WeakPolarHBondContact OD1-CD 3.39Å; D261-R265 IonicContact OD1-CZ 3.69Å; D261-R265 IonicContact OD1-NE 2.99Å; D261-R265 PolarHBondContact OD1-NE 3.29Å; D261-R265 IonicContact OD2-NE 2.76Å |
| 266 | W | 93.8 | Very high | 93 | Very high | 155 Ų | 155 | 112.8 Ų | 112.8 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -100.6 | 11.4 | -170 | -51.1 | 121.5 | 0 | 0 | 0 | 114.5 | F215 D261 T268 | F215-W266 HydrophobicContact CB-CB 4.19Å; F215-W266 WeakPolarHBondContact CB-O 3.45Å; D261-W266 VanDerWaalsContact O-CD1 3.27Å; D261-W266 PolarHBondContact O-N 3.39Å; W266-T268 PolarHBondContact O-N 3.45Å |
| 267 | Q | 93.7 | Very high | 92.9 | Very high | 94 Ų | 94 | 107 Ų | 107 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 117 | -177.5 | 179.9 | 61.2 | 56.5 | 0 | 0 | 111 | F263 | F263-Q267 WeakPolarHBondContact O-CB 3Š|
| 268 | T | 92.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 105.6 Ų | 105.6 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -100 | 142.6 | 176.6 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | F215 W266 | F215-T268 VanDerWaalsContact CD1-OG1 3.27Å; F215-T268 WeakPolarHBondContact CD1-OG1 3.42Å; F215-T268 WeakPolarHBondContact CE1-OG1 3.33Å; W266-T268 PolarHBondContact O-N 3.45Å |
| 269 | K | 93.3 | Very high | 92.9 | Very high | 188 Ų | 188 | 104.7 Ų | 104.7 | 82% | 0.817 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 124.8 | 177.4 | -172.2 | 175.5 | -177.4 | 174.6 | 0 | 109.9 | ||
| 270 | P | 92.5 | Very high | 92.8 | Very high | 86 Ų | 86 | 106.2 Ų | 106.2 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 160 | 178.9 | 27.9 | -34.2 | 0 | 0 | 0 | 112 | M272 | P270-M272 HydrophobicContact CG-SD 3.91Å; P270-M272 PolarHBondContact O-N 3.22Å |
| 271 | R | 89.4 | Confident | 92.6 | Very high | 194 Ų | 194 | 104.9 Ų | 104.9 | 73% | 0.732 | 51% | 0.505 | S | S | * | . | trans | -66.3 | 104.2 | 171.4 | -73 | -173.4 | 170.8 | -156.7 | -6.3 | 109.6 | E291 | R271-E291 IonicContact CZ-OE1 2.82Å; R271-E291 IonicContact NH1-OE1 3.42Å; R271-E291 PolarHBondContact NH1-OE1 3.39Å; R271-E291 IonicContact NH2-OE1 3.9Å; R271-E291 PolarHBondContact NH2-OE1 2.89Å | ||
| 272 | M | 90.6 | Very high | 92.3 | Very high | 133 Ų | 133 | 104.6 Ų | 104.6 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 163 | 179.1 | -59.8 | -58.8 | -77.9 | 0 | 0 | 112.3 | P270 | P270-M272 HydrophobicContact CG-SD 3.91Å; P270-M272 PolarHBondContact O-N 3.22Å |
| 273 | T | 91.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 106.1 Ų | 106.1 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 151.4 | 173.1 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | D277 | T273-D277 WeakPolarHBondContact CB-OD2 3.41Å; T273-D277 VanDerWaalsContact CG2-OD2 3.26Å; T273-D277 WeakPolarHBondContact CG2-OD2 3.31Å |
| 274 | M | 91.5 | Very high | 91.8 | Very high | 161 Ų | 161 | 105.2 Ų | 105.2 | 79% | 0.793 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -80 | 162.6 | 178.5 | -58.5 | -63 | -75.4 | 0 | 0 | 111.8 | G276 D277 | M274-G276 PolarHBondContact O-N 3.31Å; M274-D277 WeakPolarHBondContact O-CB 3.22Å; M274-D277 PolarHBondContact O-N 3.49Å; M274-D277 VanDerWaalsContact O-N 3.15Å |
| 275 | V | 92.8 | Very high | 91.5 | Very high | 145 Ų | 145 | 104.2 Ų | 104.2 | 88% | 0.879 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 131.2 | 172.6 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 276 | G | 91.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 102.3 Ų | 102.3 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M274 L278 | M274-G276 PolarHBondContact O-N 3.31Å; G276-L278 PolarHBondContact O-N 3.49Å |
| 277 | D | 92.2 | Very high | 90.5 | Very high | 65 Ų | 65 | 100 Ų | 100 | 35% | 0.348 | 51% | 0.51 | S | S | . | . | trans | -79.9 | 88 | 175.9 | -173.6 | 21.4 | 0 | 0 | 0 | 111.7 | T273 M274 K283 | T273-D277 WeakPolarHBondContact CB-OD2 3.41Å; T273-D277 VanDerWaalsContact CG2-OD2 3.26Å; T273-D277 WeakPolarHBondContact CG2-OD2 3.31Å; M274-D277 WeakPolarHBondContact O-CB 3.22Å; M274-D277 PolarHBondContact O-N 3.49Å; M274-D277 VanDerWaalsContact O-N 3.15Å; D277-K283 WeakPolarHBondContact OD1-CE 3.33Å; D277-K283 IonicContact OD1-NZ 2.84Å; D277-K283 PolarHBondContact OD1-NZ 3.22Å; D277-K283 WeakPolarHBondContact OD2-CE 3.46Å; D277-K283 IonicContact OD2-NZ 3.49Å; D277-K283 PolarHBondContact OD2-NZ 2.78Å | ||
| 278 | L | 92.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 102.9 Ų | 102.9 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | trans | -76.1 | 148.9 | 179.1 | -69.2 | 175.9 | 0 | 0 | 0 | 112.4 | V186 P187 P189 G276 K283 | V186-L278 HydrophobicContact CG1-CD1 3.58Å; V186-L278 HydrophobicContact CG1-CD2 3.91Å; V186-L278 HydrophobicContact CG1-CG 3.66Å; P187-L278 VanDerWaalsContact O-CD1 3.29Å; P187-L278 WeakPolarHBondContact O-CD1 3.35Å; P189-L278 HydrophobicContact CG-CD1 4.15Å; G276-L278 PolarHBondContact O-N 3.49Å; L278-K283 WeakPolarHBondContact O-CD 3.45Å; L278-K283 PolarHBondContact O-NZ 2.94Å | ||
| 279 | Y | 94 | Very high | 88.8 | Confident | 94 Ų | 94 | 105.5 Ų | 105.5 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | trans | -80.1 | 135.4 | 170.4 | -174.6 | -109.2 | 0 | 0 | 0 | 111 | Y198 L199 K202 K283 E284 | Y198-Y279 HydrophobicContact CE1-CD1 4.37Å; Y198-Y279 VanDerWaalsContact OH-C 3.3Å; Y198-Y279 WeakPolarHBondContact OH-CD1 3.3Å; Y198-Y279 PolarHBondContact OH-O 3.11Å; L199-Y279 HydrophobicContact CD2-CE1 4.14Å; K202-Y279 WeakPolarHBondContact CE-OH 3.4Å; K202-Y279 PolarHBondContact NZ-OH 3.21Å; Y279-K283 HydrophobicContact CD2-CB 4.11Å; Y279-K283 HydrophobicContact CD2-CD 3.95Å; Y279-K283 HydrophobicContact CE2-CB 4.01Å; Y279-E284 WeakPolarHBondContact CE2-OE2 3.38Å; Y279-E284 PolarHBondContact OH-OE2 3.25Å | ||
| 280 | F | 92.5 | Very high | 88 | Confident | 87 Ų | 87 | 108 Ų | 108 | 38% | 0.382 | 53% | 0.532 | S | S | . | . | trans | -135.7 | 155.8 | 171.9 | 56.9 | -91.3 | 0 | 0 | 0 | 109.9 | G282 K283 | F280-G282 PolarHBondContact O-N 2.98Å; F280-K283 HydrophobicContact CD1-CB 4.08Å; F280-K283 HydrophobicContact CD1-CD 4.17Å; F280-K283 HydrophobicContact CD1-CG 4.33Å; F280-K283 HydrophobicContact CD2-CB 3.97Å; F280-K283 HydrophobicContact CE1-CB 3.95Å; F280-K283 HydrophobicContact CE1-CD 4.01Å; F280-K283 HydrophobicContact CE1-CG 3.89Å; F280-K283 HydrophobicContact CE2-CB 3.83Å; F280-K283 HydrophobicContact CE2-CG 4.49Å; F280-K283 HydrophobicContact CG-CB 4.09Å; F280-K283 HydrophobicContact CZ-CB 3.82Å; F280-K283 HydrophobicContact CZ-CG 3.98Å; F280-K283 WeakPolarHBondContact O-CB 3.42Å; F280-K283 PolarHBondContact O-N 3.45Å | ||
| 281 | E | 91 | Very high | 87.3 | Confident | 62 Ų | 62 | 110.3 Ų | 110.3 | 29% | 0.29 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 121.4 | 176.6 | -178.6 | 170.8 | -135.4 | 0 | 0 | 109.8 | G201 K202 | G201-E281 WeakPolarHBondContact CA-OE1 3.47Å; G201-E281 PolarHBondContact N-OE1 3.49Å; K202-E281 HydrophobicContact CG-CG 4.17Å; K202-E281 PolarHBondContact N-OE1 2.99Å |
| 282 | G | 89 | Confident | 87.2 | Confident | 25 Ų | 25 | 109.3 Ų | 109.3 | 26% | 0.258 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -3.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F280 E284 F285 | F280-G282 PolarHBondContact O-N 2.98Å; G282-E284 PolarHBondContact O-N 3.1Å; G282-F285 PolarHBondContact O-N 3.27Å |
| 283 | K | 91.2 | Very high | 87.2 | Confident | 37 Ų | 37 | 110 Ų | 110 | 16% | 0.161 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -56.8 | -35.7 | 179.4 | -178.2 | 175.3 | 174.2 | -172.6 | 0 | 113.1 | D277 L278 Y279 F280 F285 E286 | D277-K283 WeakPolarHBondContact OD1-CE 3.33Å; D277-K283 IonicContact OD1-NZ 2.84Å; D277-K283 PolarHBondContact OD1-NZ 3.22Å; D277-K283 WeakPolarHBondContact OD2-CE 3.46Å; D277-K283 IonicContact OD2-NZ 3.49Å; D277-K283 PolarHBondContact OD2-NZ 2.78Å; L278-K283 WeakPolarHBondContact O-CD 3.45Å; L278-K283 PolarHBondContact O-NZ 2.94Å; Y279-K283 HydrophobicContact CD2-CB 4.11Å; Y279-K283 HydrophobicContact CD2-CD 3.95Å; Y279-K283 HydrophobicContact CE2-CB 4.01Å; F280-K283 HydrophobicContact CD1-CB 4.08Å; F280-K283 HydrophobicContact CD1-CD 4.17Å; F280-K283 HydrophobicContact CD1-CG 4.33Å; F280-K283 HydrophobicContact CD2-CB 3.97Å; F280-K283 HydrophobicContact CE1-CB 3.95Å; F280-K283 HydrophobicContact CE1-CD 4.01Å; F280-K283 HydrophobicContact CE1-CG 3.89Å; F280-K283 HydrophobicContact CE2-CB 3.83Å; F280-K283 HydrophobicContact CE2-CG 4.49Å; F280-K283 HydrophobicContact CG-CB 4.09Å; F280-K283 HydrophobicContact CZ-CB 3.82Å; F280-K283 HydrophobicContact CZ-CG 3.98Å; F280-K283 WeakPolarHBondContact O-CB 3.42Å; F280-K283 PolarHBondContact O-N 3.45Å; K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.05Å; K283-E286 PolarHBondContact O-N 3.39Å |
| 284 | E | 87.2 | Confident | 87.2 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -70.2 | -17.4 | 178.7 | 63.5 | -83.2 | -174.1 | 0 | 0 | 114.7 | K202 Y279 G282 | K202-E284 WeakPolarHBondContact CE-OE1 3.35Å; K202-E284 IonicContact NZ-OE1 2.9Å; K202-E284 PolarHBondContact NZ-OE1 3.45Å; K202-E284 IonicContact NZ-OE2 3.54Å; K202-E284 PolarHBondContact NZ-OE2 3.07Å; Y279-E284 WeakPolarHBondContact CE2-OE2 3.38Å; Y279-E284 PolarHBondContact OH-OE2 3.25Å; G282-E284 PolarHBondContact O-N 3.1Å |
| 285 | F | 86.7 | Confident | 87 | Confident | 133 Ų | 133 | 104.8 Ų | 104.8 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -93.5 | -6.4 | 178 | -56.9 | -63.5 | 0 | 0 | 0 | 112.6 | F205 G282 K283 T287 | F205-F285 HydrophobicContact CD1-CZ 4.26Å; G282-F285 PolarHBondContact O-N 3.27Å; K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.05Å; F285-T287 PolarHBondContact O-N 3.22Å |
| 286 | E | 86 | Confident | 86.8 | Confident | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -75.1 | 111.7 | 177 | -170.9 | 65 | -141.8 | 0 | 0 | 109.9 | K283 R288 | K283-E286 PolarHBondContact O-N 3.39Å; E286-R288 PolarHBondContact O-N 3.03Å |
| 287 | T | 77.7 | Confident | 86.8 | Confident | 107 Ų | 107 | 105.2 Ų | 105.2 | 66% | 0.656 | 51% | 0.51 | S | S | * | . | trans | -68.9 | 127.9 | 178.9 | 51.6 | 0 | 0 | 0 | 0 | 110.9 | F285 L289 | F285-T287 PolarHBondContact O-N 3.22Å; T287-L289 WeakPolarHBondContact O-CD1 3.26Å; T287-L289 PolarHBondContact O-N 3.02Å | ||
| 288 | R | 74.8 | Confident | 86.7 | Confident | 154 Ų | 154 | 105 Ų | 105 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | trans | -80.3 | 114.9 | 177 | -65.2 | -179.1 | 177.7 | -173 | -1.6 | 110.2 | E286 R290 | E286-R288 PolarHBondContact O-N 3.03Å; R288-R290 PolarHBondContact O-N 3.2Å | ||
| 289 | L | 76.1 | Confident | 86.7 | Confident | 136 Ų | 136 | 106.4 Ų | 106.4 | 71% | 0.712 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -71.6 | -11.8 | 179.9 | -83.4 | 67.5 | 0 | 0 | 0 | 114.2 | T287 E291 K292 | T287-L289 WeakPolarHBondContact O-CD1 3.26Å; T287-L289 PolarHBondContact O-N 3.02Å; L289-E291 PolarHBondContact O-N 3.16Å; L289-K292 PolarHBondContact O-N 2.84Å |
| 290 | R | 76.7 | Confident | 86.7 | Confident | 240 Ų | 240 | 109.5 Ų | 109.5 | 91% | 0.906 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -64.1 | -23.9 | -171.4 | -70.9 | -171.1 | 174.2 | -168 | -2.8 | 114.7 | R288 K292 | R288-R290 PolarHBondContact O-N 3.2Å; R290-K292 VanDerWaalsContact C-N 3.35Å |
| 291 | E | 77.7 | Confident | 86.7 | Confident | 134 Ų | 134 | 109.4 Ų | 109.4 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -82.1 | -12.7 | -174.2 | -64.2 | 178.4 | 173.4 | 0 | 0 | 112.7 | R271 L289 | R271-E291 IonicContact CZ-OE1 2.82Å; R271-E291 IonicContact NH1-OE1 3.42Å; R271-E291 PolarHBondContact NH1-OE1 3.39Å; R271-E291 IonicContact NH2-OE1 3.9Å; R271-E291 PolarHBondContact NH2-OE1 2.89Å; L289-E291 PolarHBondContact O-N 3.16Å |
| 292 | K | 87.6 | Confident | 86.8 | Confident | 173 Ų | 173 | 107.8 Ų | 107.8 | 75% | 0.752 | 53% | 0.532 | S | S | * | . | trans | -106.8 | 126.1 | -175.9 | -59.4 | -178.3 | -178.6 | -175.8 | 0 | 111 | L289 R290 | L289-K292 PolarHBondContact O-N 2.84Å; R290-K292 VanDerWaalsContact C-N 3.35Å | ||
| 293 | K | 90.1 | Very high | 87 | Confident | 147 Ų | 147 | 112.1 Ų | 112.1 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | trans | -118.2 | 146.6 | 179.8 | -66.3 | -178.7 | -178 | 175.3 | 0 | 111.6 | E296 | K293-E296 PolarHBondContact O-N 2.66Š| ||
| 294 | P | 91.1 | Very high | 87.2 | Confident | 66 Ų | 66 | 114.3 Ų | 114.3 | 43% | 0.429 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | 140.6 | 173.1 | 28.7 | -34.7 | 0 | 0 | 0 | 110.5 | Y333 L336 | P294-Y333 HydrophobicContact CB-CE2 4.28Å; P294-Y333 HydrophobicContact CG-CD1 4.22Å; P294-Y333 HydrophobicContact CG-CE1 3.86Å; P294-Y333 HydrophobicContact CG-CE2 4.44Å; P294-L336 HydrophobicContact CB-CD1 4.5Å; P294-L336 HydrophobicContact CB-CD2 4.4Å |
| 295 | G | 88.4 | Confident | 87.5 | Confident | 70 Ų | 70 | 113.6 Ų | 113.6 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.9 | -25 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 296 | E | 88.8 | Confident | 87.7 | Confident | 150 Ų | 150 | 110.6 Ų | 110.6 | 70% | 0.701 | 58% | 0.579 | S | S | * | * | trans | -106.6 | 142.8 | 176 | -69 | 178.1 | -170 | 0 | 0 | 111.2 | K293 | K293-E296 PolarHBondContact O-N 2.66Š| ||
| 297 | L | 90.8 | Very high | 87.9 | Confident | 45 Ų | 45 | 105.4 Ų | 105.4 | 24% | 0.236 | 56% | 0.555 | C | S | . | * | trans | -128.2 | 125.1 | 177.7 | -65.8 | 174.9 | 0 | 0 | 0 | 108.7 | M301 R302 L305 M307 P318 W320 | L297-M301 HydrophobicContact CD2-CG 4.16Å; L297-R302 HydrophobicContact CB-CG 4Å; L297-R302 PolarHBondContact O-NE 3.32Å; L297-L305 HydrophobicContact CD1-CD1 4.47Å; L297-M307 HydrophobicContact CD1-CE 3.33Å; L297-P318 HydrophobicContact CD1-CB 4.47Å; L297-W320 HydrophobicContact CD1-CH2 3.92Å; L297-W320 HydrophobicContact CD1-CZ2 4.22Å; L297-W320 HydrophobicContact CD2-CH2 4.18Å | ||
| 298 | S | 91.5 | Very high | 88.5 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 43% | 0.427 | 54% | 0.54 | S | S | . | . | trans | -63.8 | 154 | 175.2 | 63 | 0 | 0 | 0 | 0 | 111.2 | E300 M301 R302 | S298-E300 VanDerWaalsContact C-N 3.25Å; S298-E300 PolarHBondContact O-N 3.12Å; S298-M301 WeakPolarHBondContact O-CB 3.35Å; S298-M301 PolarHBondContact O-N 3.07Å; S298-M301 WeakPolarHBondContact OG-CB 3.42Å; S298-M301 PolarHBondContact OG-N 3.37Å; S298-R302 WeakPolarHBondContact O-CG 3.43Å; S298-R302 PolarHBondContact O-N 2.79Å | ||
| 299 | D | 92.5 | Very high | 89.4 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 178.3 | -67.9 | -24.2 | 0 | 0 | 0 | 112 | M301 R302 I303 V309 | D299-M301 VanDerWaalsContact C-N 3.31Å; D299-M301 PolarHBondContact O-N 3.15Å; D299-R302 PolarHBondContact O-N 2.74Å; D299-I303 VanDerWaalsContact O-CG1 3.31Å; D299-I303 WeakPolarHBondContact O-CG1 3.43Å; D299-I303 PolarHBondContact O-N 3.39Å; D299-V309 HydrophobicContact CB-CG1 3.97Å; D299-V309 WeakPolarHBondContact O-CG1 3.48Å |
| 300 | E | 93.2 | Very high | 89.9 | Confident | 160 Ų | 160 | 94 Ų | 94 | 75% | 0.748 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.3 | -44 | 173.4 | -173.5 | -175.4 | -170 | 0 | 0 | 111.9 | S298 I303 A304 | S298-E300 VanDerWaalsContact C-N 3.25Å; S298-E300 PolarHBondContact O-N 3.12Å; E300-I303 PolarHBondContact O-N 3.42Å; E300-A304 PolarHBondContact O-N 3.26Å |
| 301 | M | 91.8 | Very high | 90.3 | Very high | 85 Ų | 85 | 89 Ų | 89 | 42% | 0.419 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 178.1 | -176.5 | 60 | 68.8 | 0 | 0 | 111.5 | L297 S298 D299 A304 L305 | L297-M301 HydrophobicContact CD2-CG 4.16Å; S298-M301 WeakPolarHBondContact O-CB 3.35Å; S298-M301 PolarHBondContact O-N 3.07Å; S298-M301 WeakPolarHBondContact OG-CB 3.42Å; S298-M301 PolarHBondContact OG-N 3.37Å; D299-M301 VanDerWaalsContact C-N 3.31Å; D299-M301 PolarHBondContact O-N 3.15Å; M301-A304 PolarHBondContact O-N 2.89Å; M301-L305 HydrophobicContact CG-CD1 3.9Å; M301-L305 HydrophobicContact CG-CG 4.43Å; M301-L305 WeakPolarHBondContact O-CB 3.47Å; M301-L305 VanDerWaalsContact O-CG 3.28Å; M301-L305 WeakPolarHBondContact O-CG 3.22Å; M301-L305 PolarHBondContact O-N 2.82Å; M301-L305 HydrophobicContact SD-CD1 4.2Å; M301-L305 HydrophobicContact SD-CG 4.26Å |
| 302 | R | 93.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 87 Ų | 87 | 10% | 0.102 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 176.2 | -73.2 | 175.5 | 174.4 | -84.9 | 0.8 | 111.4 | L297 S298 D299 A304 L305 G306 M307 V309 A313 | L297-R302 HydrophobicContact CB-CG 4Å; L297-R302 PolarHBondContact O-NE 3.32Å; S298-R302 WeakPolarHBondContact O-CG 3.43Å; S298-R302 PolarHBondContact O-N 2.79Å; D299-R302 PolarHBondContact O-N 2.74Å; R302-A304 VanDerWaalsContact C-N 3.34Å; R302-A304 PolarHBondContact O-N 3.17Å; R302-L305 CarbonylContact O-C 3.56Å; R302-L305 PolarHBondContact O-N 3.15Å; R302-G306 PolarHBondContact O-N 2.76Å; R302-M307 CarbonylContact C-O 3.59Å; R302-M307 HydrophobicContact CB-CB 4.25Å; R302-M307 HydrophobicContact CG-CE 4.03Å; R302-M307 PolarHBondContact O-N 3.07Å; R302-V309 HydrophobicContact CB-CG1 3.58Å; R302-A313 PolarHBondContact NH1-O 3.01Å |
| 303 | I | 94.6 | Very high | 90.6 | Very high | 116 Ų | 116 | 79.1 Ų | 79.1 | 60% | 0.595 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.9 | -46.8 | 174.4 | -67.5 | 161.2 | 0 | 0 | 0 | 110.3 | D299 E300 L305 G306 V309 | D299-I303 VanDerWaalsContact O-CG1 3.31Å; D299-I303 WeakPolarHBondContact O-CG1 3.43Å; D299-I303 PolarHBondContact O-N 3.39Å; E300-I303 PolarHBondContact O-N 3.42Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 3.18Å; I303-G306 PolarHBondContact O-N 3.37Å; I303-V309 HydrophobicContact CD1-CG1 4.29Å; I303-V309 HydrophobicContact CG1-CG1 3.74Å; I303-V309 HydrophobicContact CG1-CG2 4.4Å |
| 304 | A | 95 | Very high | 90.4 | Very high | 83 Ų | 83 | 77.3 Ų | 77.3 | 69% | 0.686 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.1 | -34.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E300 M301 R302 G306 | E300-A304 PolarHBondContact O-N 3.26Å; M301-A304 PolarHBondContact O-N 2.89Å; R302-A304 VanDerWaalsContact C-N 3.34Å; R302-A304 PolarHBondContact O-N 3.17Å; A304-G306 VanDerWaalsContact C-N 3.3Å |
| 305 | L | 92.3 | Very high | 90.1 | Very high | 75 Ų | 75 | 79 Ų | 79 | 39% | 0.393 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.7 | 176.4 | -69.5 | 171.8 | 0 | 0 | 0 | 113.6 | L297 M301 R302 I303 M307 W320 | L297-L305 HydrophobicContact CD1-CD1 4.47Å; M301-L305 HydrophobicContact CG-CD1 3.9Å; M301-L305 HydrophobicContact CG-CG 4.43Å; M301-L305 WeakPolarHBondContact O-CB 3.47Å; M301-L305 VanDerWaalsContact O-CG 3.28Å; M301-L305 WeakPolarHBondContact O-CG 3.22Å; M301-L305 PolarHBondContact O-N 2.82Å; M301-L305 HydrophobicContact SD-CD1 4.2Å; M301-L305 HydrophobicContact SD-CG 4.26Å; R302-L305 CarbonylContact O-C 3.56Å; R302-L305 PolarHBondContact O-N 3.15Å; I303-L305 VanDerWaalsContact C-N 3.28Å; I303-L305 PolarHBondContact O-N 3.18Å; L305-M307 VanDerWaalsContact C-N 3.29Å; L305-M307 HydrophobicContact CB-CE 3.95Å; L305-M307 HydrophobicContact CB-CG 4.13Å; L305-M307 HydrophobicContact CD1-CE 3.5Å; L305-M307 HydrophobicContact CG-CE 4.38Å; L305-M307 PolarHBondContact O-N 3.27Å; L305-W320 HydrophobicContact CD1-CH2 4.25Å; L305-W320 HydrophobicContact CD1-CZ3 4.16Å |
| 306 | G | 91.7 | Very high | 90.2 | Very high | 69 Ų | 69 | 80.2 Ų | 80.2 | 71% | 0.711 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 26.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R302 I303 A304 | R302-G306 PolarHBondContact O-N 2.76Å; I303-G306 PolarHBondContact O-N 3.37Å; A304-G306 VanDerWaalsContact C-N 3.3Å |
| 307 | M | 90.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 74.1 Ų | 74.1 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | trans | -96.6 | 145.3 | 176 | -63.8 | -168.9 | -61.7 | 0 | 0 | 111.2 | L297 R302 L305 P318 | L297-M307 HydrophobicContact CD1-CE 3.33Å; R302-M307 CarbonylContact C-O 3.59Å; R302-M307 HydrophobicContact CB-CB 4.25Å; R302-M307 HydrophobicContact CG-CE 4.03Å; R302-M307 PolarHBondContact O-N 3.07Å; L305-M307 VanDerWaalsContact C-N 3.29Å; L305-M307 HydrophobicContact CB-CE 3.95Å; L305-M307 HydrophobicContact CB-CG 4.13Å; L305-M307 HydrophobicContact CD1-CE 3.5Å; L305-M307 HydrophobicContact CG-CE 4.38Å; L305-M307 PolarHBondContact O-N 3.27Å; M307-P318 HydrophobicContact SD-CB 4.45Å | ||
| 308 | P | 91 | Very high | 90.4 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | trans | -57.4 | 139.7 | 175.5 | -26.2 | 36.5 | 0 | 0 | 0 | 112.9 | Y316 | P308-Y316 HydrophobicContact CB-CD2 3.81Å; P308-Y316 HydrophobicContact CB-CE2 3.88Å; P308-Y316 HydrophobicContact CB-CG 4.3Å; P308-Y316 HydrophobicContact CG-CD1 3.88Å; P308-Y316 HydrophobicContact CG-CD2 3.73Å; P308-Y316 HydrophobicContact CG-CE1 3.97Å; P308-Y316 HydrophobicContact CG-CE2 3.8Å; P308-Y316 HydrophobicContact CG-CG 3.77Å | ||
| 309 | V | 91.7 | Very high | 90.4 | Very high | 70 Ų | 70 | 75 Ų | 75 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | trans | -107.4 | 161.2 | 175.3 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | D299 R302 I303 | D299-V309 HydrophobicContact CB-CG1 3.97Å; D299-V309 WeakPolarHBondContact O-CG1 3.48Å; R302-V309 HydrophobicContact CB-CG1 3.58Å; I303-V309 HydrophobicContact CD1-CG1 4.29Å; I303-V309 HydrophobicContact CG1-CG1 3.74Å; I303-V309 HydrophobicContact CG1-CG2 4.4Å | ||
| 310 | G | 86.9 | Confident | 90.5 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 110.2 | -167.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | N312 A313 | G310-N312 PolarHBondContact O-N 3.28Å; G310-N312 VanDerWaalsContact O-N 3.15Å; G310-A313 WeakPolarHBondContact O-CB 3.31Å; G310-A313 PolarHBondContact O-N 3.32Å |
| 311 | P | 85.9 | Confident | 90.5 | Very high | 134 Ų | 134 | 67.9 Ų | 67.9 | 87% | 0.87 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.7 | -172.6 | 25.1 | -34.4 | 0 | 0 | 0 | 112.9 | A313 | P311-A313 VanDerWaalsContact C-N 3.34Š|
| 312 | N | 85.3 | Confident | 90.5 | Very high | 91 Ų | 91 | 66.8 Ų | 66.8 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 9.2 | 177.2 | -71.9 | -43.4 | 0 | 0 | 0 | 113.6 | G310 H314 R315 | G310-N312 PolarHBondContact O-N 3.28Å; G310-N312 VanDerWaalsContact O-N 3.15Å; N312-H314 PolarHBondContact O-N 3.46Å; N312-H314 VanDerWaalsContact O-N 3.16Å; N312-R315 HydrophobicContact CB-CG 4.39Å; N312-R315 WeakPolarHBondContact O-CB 3.31Å; N312-R315 PolarHBondContact O-N 3.13Å; N312-R315 PolarHBondContact OD1-NE 3.25Å; N312-R315 VanDerWaalsContact OD1-NE 3.1Å |
| 313 | A | 86.6 | Confident | 90.5 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 7% | 0.066 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -60.9 | -26.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R302 G310 P311 R315 | R302-A313 PolarHBondContact NH1-O 3.01Å; G310-A313 WeakPolarHBondContact O-CB 3.31Å; G310-A313 PolarHBondContact O-N 3.32Å; P311-A313 VanDerWaalsContact C-N 3.34Å; A313-R315 VanDerWaalsContact C-N 3.26Å; A313-R315 PolarHBondContact O-N 3.13Å |
| 314 | H | 84.8 | Confident | 90.5 | Very high | 109 Ų | 109 | 63.8 Ų | 63.8 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -71.9 | -17.1 | 176.4 | -164.8 | 67.3 | 0 | 0 | 0 | 113.4 | N312 Y316 P346 W358 | N312-H314 PolarHBondContact O-N 3.46Å; N312-H314 VanDerWaalsContact O-N 3.16Å; H314-Y316 VanDerWaalsContact C-N 3.27Å; H314-Y316 PolarHBondContact O-N 2.61Å; H314-P346 WeakPolarHBondContact CD2-CG 3.34Å; H314-P346 VanDerWaalsContact NE2-CG 3.28Å; H314-P346 WeakPolarHBondContact NE2-CG 3.35Å; H314-W358 VanDerWaalsContact O-CZ2 3.27Å; H314-W358 WeakPolarHBondContact O-CZ2 3.13Å |
| 315 | R | 85.9 | Confident | 90.3 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -70.8 | -24.1 | 177.7 | -63.7 | -173.9 | 177.5 | -88.3 | -5.3 | 113.2 | N312 A313 D347 W358 | N312-R315 HydrophobicContact CB-CG 4.39Å; N312-R315 WeakPolarHBondContact O-CB 3.31Å; N312-R315 PolarHBondContact O-N 3.13Å; N312-R315 PolarHBondContact OD1-NE 3.25Å; N312-R315 VanDerWaalsContact OD1-NE 3.1Å; A313-R315 VanDerWaalsContact C-N 3.26Å; A313-R315 PolarHBondContact O-N 3.13Å; R315-D347 PolarHBondContact NH1-O 3Å; R315-W358 PolarHBondContact O-NE1 3.39Å |
| 316 | Y | 89.5 | Confident | 90.3 | Very high | 96 Ų | 96 | 65.1 Ų | 65.1 | 38% | 0.376 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -100.7 | 114.7 | -176.4 | -64.1 | -89.6 | 0 | 0 | 0 | 109.8 | P308 H314 | P308-Y316 HydrophobicContact CB-CD2 3.81Å; P308-Y316 HydrophobicContact CB-CE2 3.88Å; P308-Y316 HydrophobicContact CB-CG 4.3Å; P308-Y316 HydrophobicContact CG-CD1 3.88Å; P308-Y316 HydrophobicContact CG-CD2 3.73Å; P308-Y316 HydrophobicContact CG-CE1 3.97Å; P308-Y316 HydrophobicContact CG-CE2 3.8Å; P308-Y316 HydrophobicContact CG-CG 3.77Å; H314-Y316 VanDerWaalsContact C-N 3.27Å; H314-Y316 PolarHBondContact O-N 2.61Å |
| 317 | P | 91.9 | Very high | 90.3 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 14% | 0.143 | 36% | 0.363 | C | S | . | . | trans | -72.1 | 152 | 179.7 | 29.7 | -34.7 | 0 | 0 | 0 | 111.3 | L321 G357 W358 | P317-L321 HydrophobicContact CB-CB 4.23Å; P317-L321 HydrophobicContact CB-CD2 3.4Å; P317-L321 HydrophobicContact CB-CG 4.42Å; P317-L321 HydrophobicContact CG-CD2 4.07Å; P317-G357 WeakPolarHBondContact CG-O 3.45Å; P317-W358 HydrophobicContact CB-CD2 3.93Å; P317-W358 HydrophobicContact CB-CE3 3.79Å; P317-W358 HydrophobicContact CB-CH2 4.14Å; P317-W358 HydrophobicContact CB-CZ2 4.29Å; P317-W358 HydrophobicContact CB-CZ3 3.85Å; P317-W358 HydrophobicContact CG-CD2 4.08Å; P317-W358 HydrophobicContact CG-CE3 4.41Å; P317-W358 HydrophobicContact CG-CG 4.23Å | ||
| 318 | P | 93.2 | Very high | 90.4 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 21% | 0.208 | 36% | 0.362 | C | S | . | . | trans | -66.2 | 150.9 | 171.9 | 29.5 | -34.7 | 0 | 0 | 0 | 111.3 | L297 M307 W320 L321 | L297-P318 HydrophobicContact CD1-CB 4.47Å; M307-P318 HydrophobicContact SD-CB 4.45Å; P318-W320 HydrophobicContact CB-CD2 3.75Å; P318-W320 HydrophobicContact CB-CE3 4.07Å; P318-W320 HydrophobicContact CB-CG 4.39Å; P318-W320 HydrophobicContact CB-CH2 3.69Å; P318-W320 HydrophobicContact CB-CZ2 3.32Å; P318-W320 HydrophobicContact CB-CZ3 4.04Å; P318-W320 HydrophobicContact CG-CD2 4.34Å; P318-W320 HydrophobicContact CG-CZ2 3.87Å; P318-W320 PolarHBondContact O-N 3.17Å; P318-W320 VanDerWaalsContact O-N 3.1Å; P318-L321 VanDerWaalsContact O-CB 3.27Å; P318-L321 WeakPolarHBondContact O-CB 3.45Å; P318-L321 PolarHBondContact O-N 2.85Å | ||
| 319 | P | 91.3 | Very high | 90.5 | Very high | 92 Ų | 92 | 69.8 Ų | 69.8 | 60% | 0.597 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.9 | -171.6 | 25.2 | -35 | 0 | 0 | 0 | 113.7 | L321 | P319-L321 VanDerWaalsContact C-N 3.27Å; P319-L321 PolarHBondContact O-N 2.73Å |
| 320 | W | 93.7 | Very high | 90.6 | Very high | 103 Ų | 103 | 67.8 Ų | 67.8 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -6.5 | 176.7 | 56.9 | 74.3 | 0 | 0 | 0 | 113.9 | L297 L305 P318 I322 A323 M324 | L297-W320 HydrophobicContact CD1-CH2 3.92Å; L297-W320 HydrophobicContact CD1-CZ2 4.22Å; L297-W320 HydrophobicContact CD2-CH2 4.18Å; L305-W320 HydrophobicContact CD1-CH2 4.25Å; L305-W320 HydrophobicContact CD1-CZ3 4.16Å; P318-W320 HydrophobicContact CB-CD2 3.75Å; P318-W320 HydrophobicContact CB-CE3 4.07Å; P318-W320 HydrophobicContact CB-CG 4.39Å; P318-W320 HydrophobicContact CB-CH2 3.69Å; P318-W320 HydrophobicContact CB-CZ2 3.32Å; P318-W320 HydrophobicContact CB-CZ3 4.04Å; P318-W320 HydrophobicContact CG-CD2 4.34Å; P318-W320 HydrophobicContact CG-CZ2 3.87Å; P318-W320 PolarHBondContact O-N 3.17Å; P318-W320 VanDerWaalsContact O-N 3.1Å; W320-I322 VanDerWaalsContact C-N 3.26Å; W320-I322 PolarHBondContact O-N 2.93Å; W320-A323 WeakPolarHBondContact O-CB 3.47Å; W320-A323 PolarHBondContact O-N 3Å; W320-A323 VanDerWaalsContact O-N 3.08Å; W320-M324 VanDerWaalsContact CD1-SD 3.56Å; W320-M324 HydrophobicContact CG-CE 4.2Å; W320-M324 WeakPolarHBondContact O-CG 3.38Å; W320-M324 PolarHBondContact O-N 3.35Å |
| 321 | L | 93.2 | Very high | 91 | Very high | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.5 | -43.7 | 177.1 | 178.4 | 68.5 | 0 | 0 | 0 | 111.6 | P317 P318 P319 A323 M324 Q325 I338 L341 W358 | P317-L321 HydrophobicContact CB-CB 4.23Å; P317-L321 HydrophobicContact CB-CD2 3.4Å; P317-L321 HydrophobicContact CB-CG 4.42Å; P317-L321 HydrophobicContact CG-CD2 4.07Å; P318-L321 VanDerWaalsContact O-CB 3.27Å; P318-L321 WeakPolarHBondContact O-CB 3.45Å; P318-L321 PolarHBondContact O-N 2.85Å; P319-L321 VanDerWaalsContact C-N 3.27Å; P319-L321 PolarHBondContact O-N 2.73Å; L321-A323 VanDerWaalsContact C-N 3.26Å; L321-A323 PolarHBondContact O-N 3.15Å; L321-M324 PolarHBondContact O-N 3.37Å; L321-M324 VanDerWaalsContact O-N 3.1Å; L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 2.77Å; L321-I338 HydrophobicContact CD1-CG2 3.83Å; L321-L341 HydrophobicContact CD1-CB 4.38Å; L321-W358 HydrophobicContact CD2-CB 4.34Å; L321-W358 HydrophobicContact CD2-CD2 4.26Å; L321-W358 HydrophobicContact CD2-CE3 3.51Å; L321-W358 HydrophobicContact CD2-CZ3 4.12Å |
| 322 | I | 91.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 70.1 Ų | 70.1 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | -179.6 | -61.6 | 172 | 0 | 0 | 0 | 111.1 | W320 R326 Y353 | W320-I322 VanDerWaalsContact C-N 3.26Å; W320-I322 PolarHBondContact O-N 2.93Å; I322-R326 WeakPolarHBondContact O-CG 3.39Å; I322-R326 PolarHBondContact O-N 3.34Å; I322-Y353 HydrophobicContact CD1-CD1 4.29Å; I322-Y353 HydrophobicContact CD1-CE1 4.28Å; I322-Y353 HydrophobicContact CG2-CE1 4.44Å |
| 323 | A | 93.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 71.2 Ų | 71.2 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.6 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | W320 L321 Q325 R326 Y327 | W320-A323 WeakPolarHBondContact O-CB 3.47Å; W320-A323 PolarHBondContact O-N 3Å; W320-A323 VanDerWaalsContact O-N 3.08Å; L321-A323 VanDerWaalsContact C-N 3.26Å; L321-A323 PolarHBondContact O-N 3.15Å; A323-Q325 VanDerWaalsContact C-N 3.29Å; A323-Q325 PolarHBondContact O-N 3.39Å; A323-R326 PolarHBondContact O-N 2.7Å; A323-Y327 HydrophobicContact CB-CD2 4.33Å; A323-Y327 VanDerWaalsContact O-CD2 3.23Å; A323-Y327 WeakPolarHBondContact O-CD2 3.36Å; A323-Y327 PolarHBondContact O-N 3.35Å |
| 324 | M | 94.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 75.6 Ų | 75.6 | 18% | 0.177 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -32.8 | 175.9 | -65.4 | 179.4 | 170.2 | 0 | 0 | 112.6 | W320 L321 R326 G328 P330 I338 L341 | W320-M324 VanDerWaalsContact CD1-SD 3.56Å; W320-M324 HydrophobicContact CG-CE 4.2Å; W320-M324 WeakPolarHBondContact O-CG 3.38Å; W320-M324 PolarHBondContact O-N 3.35Å; L321-M324 PolarHBondContact O-N 3.37Å; L321-M324 VanDerWaalsContact O-N 3.1Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.16Å; M324-G328 WeakPolarHBondContact CA-O 3.36Å; M324-G328 CarbonylContact O-C 3.21Å; M324-G328 WeakPolarHBondContact O-CA 3.36Å; M324-G328 PolarHBondContact O-N 3.28Å; M324-G328 VanDerWaalsContact O-O 3.12Å; M324-P330 HydrophobicContact CE-CG 3.68Å; M324-I338 HydrophobicContact SD-CD1 3.77Å; M324-L341 HydrophobicContact CB-CD2 3.7Å |
| 325 | Q | 92.5 | Very high | 92.3 | Very high | 16 Ų | 16 | 77.4 Ų | 77.4 | 8% | 0.075 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66 | -27.4 | 172.3 | -72.8 | 171.1 | -18.1 | 0 | 0 | 113 | L321 A323 G340 L341 W358 K360 P362 | L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 2.77Å; A323-Q325 VanDerWaalsContact C-N 3.29Å; A323-Q325 PolarHBondContact O-N 3.39Å; Q325-G340 PolarHBondContact NE2-O 3.35Å; Q325-L341 HydrophobicContact CG-CD1 4.24Å; Q325-W358 PolarHBondContact NE2-O 3.33Å; Q325-K360 PolarHBondContact NE2-O 3.36Å; Q325-K360 PolarHBondContact OE1-O 2.76Å; Q325-K360 VanDerWaalsContact OE1-O 3.08Å; Q325-P362 HydrophobicContact CB-CB 4.46Å; Q325-P362 HydrophobicContact CG-CG 4.38Å |
| 326 | R | 91.3 | Very high | 92.7 | Very high | 170 Ų | 170 | 74.2 Ų | 74.2 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -88.2 | -40 | 179.9 | -68.3 | 175.7 | -176 | -166.2 | 0.6 | 113.2 | I322 A323 M324 | I322-R326 WeakPolarHBondContact O-CG 3.39Å; I322-R326 PolarHBondContact O-N 3.34Å; A323-R326 PolarHBondContact O-N 2.7Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.16Å |
| 327 | Y | 92.4 | Very high | 92.7 | Very high | 198 Ų | 198 | 76.7 Ų | 76.7 | 78% | 0.776 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -103.2 | -16.2 | -173.2 | -62.6 | -66.3 | 0 | 0 | 0 | 113.4 | A323 | A323-Y327 HydrophobicContact CB-CD2 4.33Å; A323-Y327 VanDerWaalsContact O-CD2 3.23Å; A323-Y327 WeakPolarHBondContact O-CD2 3.36Å; A323-Y327 PolarHBondContact O-N 3.35Å |
| 328 | G | 91.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 76.6 Ų | 76.6 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | trans | 101.9 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | M324 Y371 | M324-G328 WeakPolarHBondContact CA-O 3.36Å; M324-G328 CarbonylContact O-C 3.21Å; M324-G328 WeakPolarHBondContact O-CA 3.36Å; M324-G328 PolarHBondContact O-N 3.28Å; M324-G328 VanDerWaalsContact O-O 3.12Å; G328-Y371 PolarHBondContact N-OH 3.05Å | ||
| 329 | P | 93.2 | Very high | 92.6 | Very high | 38 Ų | 38 | 76.4 Ų | 76.4 | 25% | 0.247 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -65.4 | 160 | 176.4 | 28.8 | -35.2 | 0 | 0 | 0 | 111.8 | L341 | P329-L341 HydrophobicContact CB-CD2 4.12Š|
| 330 | P | 94.6 | Very high | 92.5 | Very high | 28 Ų | 28 | 72 Ų | 72 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | trans | -53.6 | 126.6 | 176.8 | -28.3 | 35.9 | 0 | 0 | 0 | 112.9 | M324 S332 Y333 L336 | M324-P330 HydrophobicContact CE-CG 3.68Å; P330-S332 PolarHBondContact O-N 3.15Å; P330-Y333 HydrophobicContact CB-CD2 4.05Å; P330-Y333 CarbonylContact O-C 3.27Å; P330-Y333 PolarHBondContact O-N 2.79Å; P330-L336 HydrophobicContact CG-CD2 4.49Å | ||
| 331 | P | 94.2 | Very high | 92.4 | Very high | 130 Ų | 130 | 67.1 Ų | 67.1 | 84% | 0.844 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.8 | -175 | 24.7 | -34.2 | 0 | 0 | 0 | 113.2 | Y333 | P331-Y333 VanDerWaalsContact C-N 3.31Š|
| 332 | S | 95.2 | Very high | 92.3 | Very high | 87 Ų | 87 | 67.5 Ų | 67.5 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.8 | 177.3 | 60.3 | 0 | 0 | 0 | 0 | 114.1 | P330 | P330-S332 PolarHBondContact O-N 3.15Š|
| 333 | Y | 94.3 | Very high | 92.2 | Very high | 114 Ų | 114 | 65.4 Ų | 65.4 | 45% | 0.447 | 34% | 0.342 | S | S | . | . | trans | -128.7 | 72.3 | -177.7 | -57.9 | -71.4 | 0 | 0 | 0 | 111.7 | P294 P330 P331 N335 L336 | P294-Y333 HydrophobicContact CB-CE2 4.28Å; P294-Y333 HydrophobicContact CG-CD1 4.22Å; P294-Y333 HydrophobicContact CG-CE1 3.86Å; P294-Y333 HydrophobicContact CG-CE2 4.44Å; P330-Y333 HydrophobicContact CB-CD2 4.05Å; P330-Y333 CarbonylContact O-C 3.27Å; P330-Y333 PolarHBondContact O-N 2.79Å; P331-Y333 VanDerWaalsContact C-N 3.31Å; Y333-N335 PolarHBondContact O-N 3.15Å; Y333-L336 WeakPolarHBondContact O-CB 3.33Å; Y333-L336 PolarHBondContact O-N 3.21Å | ||
| 334 | P | 91.3 | Very high | 92.1 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.8 | -176.2 | -23 | 33.8 | 0 | 0 | 0 | 113.6 | ||
| 335 | N | 90.9 | Very high | 92 | Very high | 146 Ų | 146 | 65.2 Ų | 65.2 | 78% | 0.781 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.2 | -175.9 | -61.6 | -18.4 | 0 | 0 | 0 | 113.3 | Y333 K337 | Y333-N335 PolarHBondContact O-N 3.15Å; N335-K337 PolarHBondContact O-N 2.83Å |
| 336 | L | 92.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | trans | -70.7 | 118.2 | -178.7 | -179.5 | 66 | 0 | 0 | 0 | 110 | P294 P330 Y333 I338 N342 | P294-L336 HydrophobicContact CB-CD1 4.5Å; P294-L336 HydrophobicContact CB-CD2 4.4Å; P330-L336 HydrophobicContact CG-CD2 4.49Å; Y333-L336 WeakPolarHBondContact O-CB 3.33Å; Y333-L336 PolarHBondContact O-N 3.21Å; L336-I338 HydrophobicContact CD2-CD1 3.97Å; L336-I338 HydrophobicContact CD2-CG1 4.1Å; L336-I338 HydrophobicContact CG-CD1 4.28Å; L336-I338 HydrophobicContact CG-CG1 3.95Å; L336-N342 PolarHBondContact O-ND2 2.94Å | ||
| 337 | K | 90.3 | Very high | 91.6 | Very high | 148 Ų | 148 | 64.7 Ų | 64.7 | 64% | 0.643 | 35% | 0.35 | S | S | * | . | trans | -85.5 | 119.9 | 175.1 | -57.8 | -58.5 | -175 | 173.9 | 0 | 109.4 | N335 A343 | N335-K337 PolarHBondContact O-N 2.83Å; K337-A343 HydrophobicContact CB-CB 4.26Å | ||
| 338 | I | 92.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | trans | -120.2 | 113.2 | -177.9 | -61.3 | 172 | 0 | 0 | 0 | 106.9 | L321 M324 L336 G340 L341 N342 A343 | L321-I338 HydrophobicContact CD1-CG2 3.83Å; M324-I338 HydrophobicContact SD-CD1 3.77Å; L336-I338 HydrophobicContact CD2-CD1 3.97Å; L336-I338 HydrophobicContact CD2-CG1 4.1Å; L336-I338 HydrophobicContact CG-CD1 4.28Å; L336-I338 HydrophobicContact CG-CG1 3.95Å; I338-G340 PolarHBondContact O-N 3.49Å; I338-L341 HydrophobicContact CB-CB 4.08Å; I338-L341 HydrophobicContact CB-CD2 4.2Å; I338-L341 HydrophobicContact CD1-CD2 3.9Å; I338-L341 HydrophobicContact CG2-CB 3.97Å; I338-L341 HydrophobicContact CG2-CD2 4.24Å; I338-L341 PolarHBondContact O-N 3.19Å; I338-L341 VanDerWaalsContact O-N 3.13Å; I338-N342 PolarHBondContact N-OD1 3.2Å; I338-N342 PolarHBondContact O-N 3.42Å; I338-N342 PolarHBondContact O-OD1 3.42Å; I338-A343 PolarHBondContact O-N 3.44Å | ||
| 339 | P | 91.1 | Very high | 91 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -56.1 | 136.4 | 176.2 | -22.2 | 32 | 0 | 0 | 0 | 111 | L341 A343 P344 P346 W358 | P339-L341 VanDerWaalsContact C-N 3.32Å; P339-L341 PolarHBondContact O-N 3.38Å; P339-A343 CarbonylContact C-O 3.2Å; P339-P344 WeakPolarHBondContact CA-O 3.27Å; P339-P344 WeakPolarHBondContact CB-O 3.36Å; P339-P346 HydrophobicContact CB-CG 4.26Å; P339-W358 HydrophobicContact CB-CE3 4.39Å; P339-W358 HydrophobicContact CB-CH2 3.77Å; P339-W358 HydrophobicContact CB-CZ3 3.56Å; P339-W358 HydrophobicContact CG-CH2 4.42Å; P339-W358 HydrophobicContact CG-CZ3 4.46Å; P339-W358 VanDerWaalsContact O-CE3 3.3Å; P339-W358 WeakPolarHBondContact O-CZ3 3.34Å |
| 340 | G | 89.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 8.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q325 I338 A343 | Q325-G340 PolarHBondContact NE2-O 3.35Å; I338-G340 PolarHBondContact O-N 3.49Å; G340-A343 PolarHBondContact N-O 3.38Å |
| 341 | L | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -53 | 176.8 | 176.3 | 59.7 | 0 | 0 | 0 | 113.4 | L321 M324 Q325 P329 I338 P339 P362 Y371 V374 | L321-L341 HydrophobicContact CD1-CB 4.38Å; M324-L341 HydrophobicContact CB-CD2 3.7Å; Q325-L341 HydrophobicContact CG-CD1 4.24Å; P329-L341 HydrophobicContact CB-CD2 4.12Å; I338-L341 HydrophobicContact CB-CB 4.08Å; I338-L341 HydrophobicContact CB-CD2 4.2Å; I338-L341 HydrophobicContact CD1-CD2 3.9Å; I338-L341 HydrophobicContact CG2-CB 3.97Å; I338-L341 HydrophobicContact CG2-CD2 4.24Å; I338-L341 PolarHBondContact O-N 3.19Å; I338-L341 VanDerWaalsContact O-N 3.13Å; P339-L341 VanDerWaalsContact C-N 3.32Å; P339-L341 PolarHBondContact O-N 3.38Å; L341-P362 HydrophobicContact CD1-CB 4.38Å; L341-P362 HydrophobicContact CD1-CG 3.64Å; L341-Y371 HydrophobicContact CD1-CD2 3.54Å; L341-Y371 HydrophobicContact CD1-CE2 4.22Å; L341-Y371 HydrophobicContact CD1-CG 4.26Å; L341-V374 WeakPolarHBondContact O-CG2 3.37Å |
| 342 | N | 90.9 | Very high | 90.4 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.064 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140 | 11.5 | 177.6 | 66.4 | -20.4 | 0 | 0 | 0 | 112.5 | L336 I338 Y371 D373 | L336-N342 PolarHBondContact O-ND2 2.94Å; I338-N342 PolarHBondContact N-OD1 3.2Å; I338-N342 PolarHBondContact O-N 3.42Å; I338-N342 PolarHBondContact O-OD1 3.42Å; N342-Y371 WeakPolarHBondContact CB-O 3.37Å; N342-D373 CarbonylContact C-O 3.55Å |
| 343 | A | 90 | Very high | 90 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -140.8 | 155.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | K337 I338 P339 G340 D373 | K337-A343 HydrophobicContact CB-CB 4.26Å; I338-A343 PolarHBondContact O-N 3.44Å; P339-A343 CarbonylContact C-O 3.2Å; G340-A343 PolarHBondContact N-O 3.38Å; A343-D373 CarbonylContact C-O 3.42Å; A343-D373 WeakPolarHBondContact CA-O 3.49Å; A343-D373 PolarHBondContact N-O 3.2Å |
| 344 | P | 90.5 | Very high | 89.7 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 154.4 | 177.5 | 28.6 | -38.2 | 0 | 0 | 0 | 111.9 | P339 V374 L379 | P339-P344 WeakPolarHBondContact CA-O 3.27Å; P339-P344 WeakPolarHBondContact CB-O 3.36Å; P344-V374 WeakPolarHBondContact CA-O 3.42Å; P344-L379 HydrophobicContact CG-CD1 4.09Å |
| 345 | I | 91.6 | Very high | 89.3 | Confident | 24 Ų | 24 | 61 Ų | 61 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 149.7 | 172.2 | -72.2 | -176.6 | 0 | 0 | 0 | 109.9 | C349 F351 W358 | I345-C349 HydrophobicContact CG2-CB 3.44Å; I345-C349 VanDerWaalsContact CG2-CB 3.44Å; I345-F351 HydrophobicContact CD1-CB 4.46Å; I345-F351 HydrophobicContact CD1-CD1 3.4Å; I345-F351 VanDerWaalsContact CD1-CD1 3.4Å; I345-F351 HydrophobicContact CD1-CD2 3.49Å; I345-F351 VanDerWaalsContact CD1-CD2 3.49Å; I345-F351 HydrophobicContact CD1-CE1 3.27Å; I345-F351 HydrophobicContact CD1-CE2 3.34Å; I345-F351 HydrophobicContact CD1-CG 3.5Å; I345-F351 HydrophobicContact CD1-CZ 3.21Å; I345-F351 HydrophobicContact CG1-CD1 4.47Å; I345-F351 HydrophobicContact CG1-CE1 3.88Å; I345-F351 HydrophobicContact CG1-CE2 3.98Å; I345-F351 HydrophobicContact CG1-CZ 3.57Å; I345-W358 HydrophobicContact CD1-CB 3.36Å; I345-W358 HydrophobicContact CD1-CD2 4.34Å; I345-W358 HydrophobicContact CD1-CG 3.69Å; I345-W358 HydrophobicContact CG1-CB 4.06Å; I345-W358 HydrophobicContact CG1-CD2 4.14Å; I345-W358 HydrophobicContact CG1-CE3 4.35Å; I345-W358 HydrophobicContact CG1-CG 4.03Å; I345-W358 HydrophobicContact CG2-CD2 4.17Å; I345-W358 HydrophobicContact CG2-CG 4.04Å |
| 346 | P | 88.6 | Confident | 88.9 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 147.1 | 173.8 | -22.7 | 37.1 | 0 | 0 | 0 | 113.7 | H314 P339 G348 C349 W358 | H314-P346 WeakPolarHBondContact CD2-CG 3.34Å; H314-P346 VanDerWaalsContact NE2-CG 3.28Å; H314-P346 WeakPolarHBondContact NE2-CG 3.35Å; P339-P346 HydrophobicContact CB-CG 4.26Å; P346-G348 PolarHBondContact O-N 3.46Å; P346-C349 WeakPolarHBondContact O-CB 3.37Å; P346-C349 PolarHBondContact O-N 3.43Å; P346-C349 VanDerWaalsContact O-N 3.09Å; P346-W358 HydrophobicContact CG-CH2 3.88Å; P346-W358 HydrophobicContact CG-CZ2 3.6Å |
| 347 | D | 86.5 | Confident | 88.7 | Confident | 152 Ų | 152 | 54.4 Ų | 54.4 | 81% | 0.813 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 132.6 | -175.7 | -64.1 | -33.2 | 0 | 0 | 0 | 113.8 | R315 C349 | R315-D347 PolarHBondContact NH1-O 3Å; D347-C349 VanDerWaalsContact C-N 3.32Å |
| 348 | G | 84.2 | Confident | 88.8 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 78% | 0.784 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 14.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P346 | P346-G348 PolarHBondContact O-N 3.46Š|
| 349 | C | 88.1 | Confident | 88.8 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | trans | -107.1 | 150.8 | 168.7 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | I345 P346 D347 | I345-C349 HydrophobicContact CG2-CB 3.44Å; I345-C349 VanDerWaalsContact CG2-CB 3.44Å; P346-C349 WeakPolarHBondContact O-CB 3.37Å; P346-C349 PolarHBondContact O-N 3.43Å; P346-C349 VanDerWaalsContact O-N 3.09Å; D347-C349 VanDerWaalsContact C-N 3.32Å | ||
| 350 | A | 89.4 | Confident | 88.7 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | trans | -121 | 147.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W358 | A350-W358 PolarHBondContact O-N 2.97Š| ||
| 351 | F | 89.8 | Confident | 88.7 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | trans | -62.7 | 142.7 | 164.9 | -71.1 | -76.3 | 0 | 0 | 0 | 109.9 | I345 W358 P361 V374 F375 | I345-F351 HydrophobicContact CD1-CB 4.46Å; I345-F351 HydrophobicContact CD1-CD1 3.4Å; I345-F351 VanDerWaalsContact CD1-CD1 3.4Å; I345-F351 HydrophobicContact CD1-CD2 3.49Å; I345-F351 VanDerWaalsContact CD1-CD2 3.49Å; I345-F351 HydrophobicContact CD1-CE1 3.27Å; I345-F351 HydrophobicContact CD1-CE2 3.34Å; I345-F351 HydrophobicContact CD1-CG 3.5Å; I345-F351 HydrophobicContact CD1-CZ 3.21Å; I345-F351 HydrophobicContact CG1-CD1 4.47Å; I345-F351 HydrophobicContact CG1-CE1 3.88Å; I345-F351 HydrophobicContact CG1-CE2 3.98Å; I345-F351 HydrophobicContact CG1-CZ 3.57Å; F351-W358 HydrophobicContact CD1-CB 4.33Å; F351-P361 HydrophobicContact CD1-CB 4.1Å; F351-P361 HydrophobicContact CD1-CG 4.21Å; F351-P361 HydrophobicContact CE1-CB 3.67Å; F351-P361 HydrophobicContact CE1-CG 4.27Å; F351-P361 HydrophobicContact CE2-CB 4.37Å; F351-P361 HydrophobicContact CG-CG 4.37Å; F351-P361 HydrophobicContact CZ-CB 3.86Å; F351-P361 HydrophobicContact CZ-CG 4.5Å; F351-V374 HydrophobicContact CE1-CG1 4.12Å; F351-V374 HydrophobicContact CE2-CG1 4.48Å; F351-V374 HydrophobicContact CZ-CG1 3.53Å; F351-F375 HydrophobicContact CE2-CE1 4.45Å | ||
| 352 | G | 90 | Very high | 88.5 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | 151 | 167.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G357 G359 | G352-G357 CarbonylContact O-C 3.51Å; G352-G357 VanDerWaalsContact O-C 3.27Å; G352-G357 VanDerWaalsContact O-CA 3.31Å; G352-G357 WeakPolarHBondContact O-CA 3.33Å; G352-G359 PolarHBondContact N-O 2.83Å; G352-G359 PolarHBondContact O-N 3.42Å |
| 353 | Y | 87.5 | Confident | 88.4 | Confident | 153 Ų | 153 | 55.2 Ų | 55.2 | 60% | 0.6 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -99.4 | 4.7 | 179.7 | -66.7 | -80.9 | 0 | 0 | 0 | 114.2 | I322 K360 | I322-Y353 HydrophobicContact CD1-CD1 4.29Å; I322-Y353 HydrophobicContact CD1-CE1 4.28Å; I322-Y353 HydrophobicContact CG2-CE1 4.44Å; Y353-K360 HydrophobicContact CE2-CB 4.48Å |
| 354 | H | 87.6 | Confident | 88.2 | Confident | 115 Ų | 115 | 57.6 Ų | 57.6 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -62.7 | 163 | 168.8 | 62.5 | -27.6 | 0 | 0 | 0 | 112.3 | G356 G357 | H354-G356 PolarHBondContact O-N 3.32Å; H354-G357 WeakPolarHBondContact CE1-CA 3.27Å; H354-G357 VanDerWaalsContact ND1-CA 3.34Å; H354-G357 WeakPolarHBondContact ND1-CA 3.17Å; H354-G357 WeakPolarHBondContact O-CA 3.44Å; H354-G357 PolarHBondContact O-N 3.26Å |
| 355 | A | 82.4 | Confident | 88.2 | Confident | 106 Ų | 106 | 65.1 Ų | 65.1 | 88% | 0.876 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 120.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | G357 | A355-G357 VanDerWaalsContact C-N 3.35Š|
| 356 | G | 82.4 | Confident | 87.9 | Confident | 29 Ų | 29 | 68.9 Ų | 68.9 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 2.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H354 | H354-G356 PolarHBondContact O-N 3.32Š|
| 357 | G | 89.2 | Confident | 87.6 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 13% | 0.134 | 42% | 0.418 | C | S | . | . | trans | -74.7 | 150.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P317 G352 H354 A355 G359 | P317-G357 WeakPolarHBondContact CG-O 3.45Å; G352-G357 CarbonylContact O-C 3.51Å; G352-G357 VanDerWaalsContact O-C 3.27Å; G352-G357 VanDerWaalsContact O-CA 3.31Å; G352-G357 WeakPolarHBondContact O-CA 3.33Å; H354-G357 WeakPolarHBondContact CE1-CA 3.27Å; H354-G357 VanDerWaalsContact ND1-CA 3.34Å; H354-G357 WeakPolarHBondContact ND1-CA 3.17Å; H354-G357 WeakPolarHBondContact O-CA 3.44Å; H354-G357 PolarHBondContact O-N 3.26Å; A355-G357 VanDerWaalsContact C-N 3.35Å; G357-G359 VanDerWaalsContact C-N 3.29Å; G357-G359 PolarHBondContact O-N 2.9Å | ||
| 358 | W | 93 | Very high | 87.4 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 3% | 0.03 | 41% | 0.411 | C | S | . | . | trans | -88.9 | 20.4 | -175.9 | -72.8 | 74.3 | 0 | 0 | 0 | 114.6 | H314 R315 P317 L321 Q325 P339 I345 P346 A350 F351 | H314-W358 VanDerWaalsContact O-CZ2 3.27Å; H314-W358 WeakPolarHBondContact O-CZ2 3.13Å; R315-W358 PolarHBondContact O-NE1 3.39Å; P317-W358 HydrophobicContact CB-CD2 3.93Å; P317-W358 HydrophobicContact CB-CE3 3.79Å; P317-W358 HydrophobicContact CB-CH2 4.14Å; P317-W358 HydrophobicContact CB-CZ2 4.29Å; P317-W358 HydrophobicContact CB-CZ3 3.85Å; P317-W358 HydrophobicContact CG-CD2 4.08Å; P317-W358 HydrophobicContact CG-CE3 4.41Å; P317-W358 HydrophobicContact CG-CG 4.23Å; L321-W358 HydrophobicContact CD2-CB 4.34Å; L321-W358 HydrophobicContact CD2-CD2 4.26Å; L321-W358 HydrophobicContact CD2-CE3 3.51Å; L321-W358 HydrophobicContact CD2-CZ3 4.12Å; Q325-W358 PolarHBondContact NE2-O 3.33Å; P339-W358 HydrophobicContact CB-CE3 4.39Å; P339-W358 HydrophobicContact CB-CH2 3.77Å; P339-W358 HydrophobicContact CB-CZ3 3.56Å; P339-W358 HydrophobicContact CG-CH2 4.42Å; P339-W358 HydrophobicContact CG-CZ3 4.46Å; P339-W358 VanDerWaalsContact O-CE3 3.3Å; P339-W358 WeakPolarHBondContact O-CZ3 3.34Å; I345-W358 HydrophobicContact CD1-CB 3.36Å; I345-W358 HydrophobicContact CD1-CD2 4.34Å; I345-W358 HydrophobicContact CD1-CG 3.69Å; I345-W358 HydrophobicContact CG1-CB 4.06Å; I345-W358 HydrophobicContact CG1-CD2 4.14Å; I345-W358 HydrophobicContact CG1-CE3 4.35Å; I345-W358 HydrophobicContact CG1-CG 4.03Å; I345-W358 HydrophobicContact CG2-CD2 4.17Å; I345-W358 HydrophobicContact CG2-CG 4.04Å; P346-W358 HydrophobicContact CG-CH2 3.88Å; P346-W358 HydrophobicContact CG-CZ2 3.6Å; A350-W358 PolarHBondContact O-N 2.97Å; F351-W358 HydrophobicContact CD1-CB 4.33Å | ||
| 359 | G | 91 | Very high | 87.5 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | 70 | -151 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G352 G357 | G352-G359 PolarHBondContact N-O 2.83Å; G352-G359 PolarHBondContact O-N 3.42Å; G357-G359 VanDerWaalsContact C-N 3.29Å; G357-G359 PolarHBondContact O-N 2.9Å |
| 360 | K | 89.2 | Confident | 87.3 | Confident | 139 Ų | 139 | 72.8 Ų | 72.8 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | trans | -107.8 | 131.4 | -179.3 | -174.7 | -173.7 | 176.1 | -171 | 0 | 108.8 | Q325 Y353 | Q325-K360 PolarHBondContact NE2-O 3.36Å; Q325-K360 PolarHBondContact OE1-O 2.76Å; Q325-K360 VanDerWaalsContact OE1-O 3.08Å; Y353-K360 HydrophobicContact CE2-CB 4.48Å | ||
| 361 | P | 89.3 | Confident | 87.1 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | trans | -59.9 | 134.3 | 177.1 | 26.6 | -33.5 | 0 | 0 | 0 | 109.6 | F351 V363 V374 F375 | F351-P361 HydrophobicContact CD1-CB 4.1Å; F351-P361 HydrophobicContact CD1-CG 4.21Å; F351-P361 HydrophobicContact CE1-CB 3.67Å; F351-P361 HydrophobicContact CE1-CG 4.27Å; F351-P361 HydrophobicContact CE2-CB 4.37Å; F351-P361 HydrophobicContact CG-CG 4.37Å; F351-P361 HydrophobicContact CZ-CB 3.86Å; F351-P361 HydrophobicContact CZ-CG 4.5Å; P361-V363 HydrophobicContact CB-CG2 3.82Å; P361-V363 HydrophobicContact CG-CG2 4.16Å; P361-V363 PolarHBondContact O-N 3.33Å; P361-V374 HydrophobicContact CB-CG1 3.79Å; P361-F375 HydrophobicContact CB-CE1 4.46Å; P361-F375 HydrophobicContact CB-CZ 4.17Å; P361-F375 HydrophobicContact CG-CZ 4.35Å | ||
| 362 | P | 88.1 | Confident | 86.8 | Confident | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.058 | 40% | 0.398 | C | S | . | . | trans | -77.8 | 92.8 | -178.2 | 28.5 | -29.8 | 0 | 0 | 0 | 109.7 | Q325 L341 P369 L370 Y371 V374 | Q325-P362 HydrophobicContact CB-CB 4.46Å; Q325-P362 HydrophobicContact CG-CG 4.38Å; L341-P362 HydrophobicContact CD1-CB 4.38Å; L341-P362 HydrophobicContact CD1-CG 3.64Å; P362-P369 WeakPolarHBondContact O-CA 3.36Å; P362-L370 PolarHBondContact O-N 2.94Å; P362-Y371 HydrophobicContact CB-CD2 3.74Å; P362-Y371 HydrophobicContact CB-CE2 3.82Å; P362-Y371 HydrophobicContact CG-CD2 3.91Å; P362-Y371 HydrophobicContact CG-CE2 4.46Å; P362-V374 HydrophobicContact CG-CG2 4.05Å | ||
| 363 | V | 88 | Confident | 86.5 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 25% | 0.248 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -128.4 | 143 | -169.6 | -176 | 0 | 0 | 0 | 0 | 109.4 | P361 G367 R368 F375 | P361-V363 HydrophobicContact CB-CG2 3.82Å; P361-V363 HydrophobicContact CG-CG2 4.16Å; P361-V363 PolarHBondContact O-N 3.33Å; V363-G367 WeakPolarHBondContact CG1-O 3.46Å; V363-R368 CarbonylContact C-O 3.59Å; V363-R368 WeakPolarHBondContact CA-O 3.43Å; V363-R368 WeakPolarHBondContact CG1-O 3.48Å; V363-F375 HydrophobicContact CG2-CE2 4.05Å; V363-F375 HydrophobicContact CG2-CZ 4.02Å |
| 364 | D | 86.7 | Confident | 86.3 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | trans | -73.4 | 178.9 | 178.4 | 71.2 | 9.9 | 0 | 0 | 0 | 111.8 | T366 G367 R368 L370 | D364-T366 VanDerWaalsContact CG-OG1 3.23Å; D364-T366 PolarHBondContact O-N 3.4Å; D364-T366 VanDerWaalsContact O-N 3.11Å; D364-T366 VanDerWaalsContact OD1-C 3.28Å; D364-T366 VanDerWaalsContact OD1-CA 3.28Å; D364-T366 WeakPolarHBondContact OD1-CA 3.47Å; D364-T366 WeakPolarHBondContact OD1-CB 3.33Å; D364-T366 PolarHBondContact OD1-N 3.42Å; D364-T366 PolarHBondContact OD1-OG1 3.01Å; D364-T366 PolarHBondContact OD2-OG1 2.92Å; D364-T366 VanDerWaalsContact OD2-OG1 3.06Å; D364-G367 PolarHBondContact O-N 2.94Å; D364-G367 PolarHBondContact OD1-N 3.01Å; D364-R368 PolarHBondContact N-O 3.31Å; D364-R368 PolarHBondContact OD1-N 3.22Å; D364-R368 WeakPolarHBondContact OD2-CB 3.22Å; D364-L370 HydrophobicContact CB-CD1 3.77Å | ||
| 365 | E | 89 | Confident | 86.1 | Confident | 208 Ų | 208 | 64.7 Ų | 64.7 | 97% | 0.972 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.3 | 177.3 | -62.5 | -179.9 | 175.5 | 0 | 0 | 113 | ||
| 366 | T | 85.5 | Confident | 85.8 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 63% | 0.632 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.4 | -178 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | D364 | D364-T366 VanDerWaalsContact CG-OG1 3.23Å; D364-T366 PolarHBondContact O-N 3.4Å; D364-T366 VanDerWaalsContact O-N 3.11Å; D364-T366 VanDerWaalsContact OD1-C 3.28Å; D364-T366 VanDerWaalsContact OD1-CA 3.28Å; D364-T366 WeakPolarHBondContact OD1-CA 3.47Å; D364-T366 WeakPolarHBondContact OD1-CB 3.33Å; D364-T366 PolarHBondContact OD1-N 3.42Å; D364-T366 PolarHBondContact OD1-OG1 3.01Å; D364-T366 PolarHBondContact OD2-OG1 2.92Å; D364-T366 VanDerWaalsContact OD2-OG1 3.06Å |
| 367 | G | 82.9 | Confident | 85.3 | Confident | 45 Ų | 45 | 64.9 Ų | 64.9 | 46% | 0.464 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 88.4 | 6.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V363 D364 | V363-G367 WeakPolarHBondContact CG1-O 3.46Å; D364-G367 PolarHBondContact O-N 2.94Å; D364-G367 PolarHBondContact OD1-N 3.01Å |
| 368 | R | 83.3 | Confident | 84.1 | Confident | 177 Ų | 177 | 70.6 Ų | 70.6 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | trans | -92.1 | 137.7 | 178.6 | -57.2 | 174.7 | 176.7 | -163.6 | -2.6 | 111.5 | V363 D364 | V363-R368 CarbonylContact C-O 3.59Å; V363-R368 WeakPolarHBondContact CA-O 3.43Å; V363-R368 WeakPolarHBondContact CG1-O 3.48Å; D364-R368 PolarHBondContact N-O 3.31Å; D364-R368 PolarHBondContact OD1-N 3.22Å; D364-R368 WeakPolarHBondContact OD2-CB 3.22Å | ||
| 369 | P | 86.2 | Confident | 82.5 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 137.4 | -175.5 | 33.5 | -37.5 | 0 | 0 | 0 | 112 | P362 G372 V374 | P362-P369 WeakPolarHBondContact O-CA 3.36Å; P369-G372 WeakPolarHBondContact CB-O 3.41Å; P369-G372 WeakPolarHBondContact CG-O 3.42Å; P369-V374 HydrophobicContact CB-CB 4.19Å; P369-V374 HydrophobicContact CB-CG2 3.74Å |
| 370 | L | 84 | Confident | 80.7 | Confident | 94 Ų | 94 | 80.5 Ų | 80.5 | 49% | 0.492 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -75.3 | -34.5 | -171.9 | -95.3 | 72.7 | 0 | 0 | 0 | 114.3 | P362 D364 | P362-L370 PolarHBondContact O-N 2.94Å; D364-L370 HydrophobicContact CB-CD1 3.77Å |
| 371 | Y | 84.1 | Confident | 78.7 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 28% | 0.282 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -117.9 | 10.2 | -164.3 | -56.7 | -62.3 | 0 | 0 | 0 | 113.9 | G328 L341 N342 P362 | G328-Y371 PolarHBondContact N-OH 3.05Å; L341-Y371 HydrophobicContact CD1-CD2 3.54Å; L341-Y371 HydrophobicContact CD1-CE2 4.22Å; L341-Y371 HydrophobicContact CD1-CG 4.26Å; N342-Y371 WeakPolarHBondContact CB-O 3.37Å; P362-Y371 HydrophobicContact CB-CD2 3.74Å; P362-Y371 HydrophobicContact CB-CE2 3.82Å; P362-Y371 HydrophobicContact CG-CD2 3.91Å; P362-Y371 HydrophobicContact CG-CE2 4.46Å |
| 372 | G | 83 | Confident | 77.1 | Confident | 37 Ų | 37 | 88.2 Ų | 88.2 | 38% | 0.381 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 129.1 | -163.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P369 V374 | P369-G372 WeakPolarHBondContact CB-O 3.41Å; P369-G372 WeakPolarHBondContact CG-O 3.42Å; G372-V374 PolarHBondContact O-N 3.36Å |
| 373 | D | 84.4 | Confident | 75.3 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 14% | 0.144 | 51% | 0.505 | C | S | . | . | trans | -86.1 | 95.4 | -173.2 | -176.5 | 15.9 | 0 | 0 | 0 | 112.3 | N342 A343 F375 G376 V377 D378 | N342-D373 CarbonylContact C-O 3.55Å; A343-D373 CarbonylContact C-O 3.42Å; A343-D373 WeakPolarHBondContact CA-O 3.49Å; A343-D373 PolarHBondContact N-O 3.2Å; D373-F375 VanDerWaalsContact C-N 3.29Å; D373-F375 PolarHBondContact OD1-N 3.44Å; D373-F375 VanDerWaalsContact OD1-N 3.1Å; D373-G376 VanDerWaalsContact CG-N 3.28Å; D373-G376 PolarHBondContact OD1-N 2.89Å; D373-G376 WeakPolarHBondContact OD2-CA 3.46Å; D373-G376 PolarHBondContact OD2-N 2.9Å; D373-V377 VanDerWaalsContact CG-N 3.33Å; D373-V377 PolarHBondContact OD1-N 2.8Å; D373-V377 VanDerWaalsContact OD1-N 3.15Å; D373-V377 PolarHBondContact OD2-N 3.45Å; D373-D378 HydrophobicContact CB-CB 4.34Å; D373-D378 PolarHBondContact OD2-N 2.88Å | ||
| 374 | V | 83.5 | Confident | 73.3 | Confident | 2 Ų | 2 | 95.9 Ų | 95.9 | 1% | 0.012 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -74.9 | -21.4 | 176.8 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | L341 P344 F351 P361 P362 P369 G372 | L341-V374 WeakPolarHBondContact O-CG2 3.37Å; P344-V374 WeakPolarHBondContact CA-O 3.42Å; F351-V374 HydrophobicContact CE1-CG1 4.12Å; F351-V374 HydrophobicContact CE2-CG1 4.48Å; F351-V374 HydrophobicContact CZ-CG1 3.53Å; P361-V374 HydrophobicContact CB-CG1 3.79Å; P362-V374 HydrophobicContact CG-CG2 4.05Å; P369-V374 HydrophobicContact CB-CB 4.19Å; P369-V374 HydrophobicContact CB-CG2 3.74Å; G372-V374 PolarHBondContact O-N 3.36Å |
| 375 | F | 82.6 | Confident | 71.6 | Confident | 105 Ų | 105 | 99.4 Ų | 99.4 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -106.5 | -10.7 | -169.7 | -63.5 | -65.4 | 0 | 0 | 0 | 113.1 | F351 P361 V363 D373 V377 | F351-F375 HydrophobicContact CE2-CE1 4.45Å; P361-F375 HydrophobicContact CB-CE1 4.46Å; P361-F375 HydrophobicContact CB-CZ 4.17Å; P361-F375 HydrophobicContact CG-CZ 4.35Å; V363-F375 HydrophobicContact CG2-CE2 4.05Å; V363-F375 HydrophobicContact CG2-CZ 4.02Å; D373-F375 VanDerWaalsContact C-N 3.29Å; D373-F375 PolarHBondContact OD1-N 3.44Å; D373-F375 VanDerWaalsContact OD1-N 3.1Å; F375-V377 HydrophobicContact CB-CG2 3.85Å |
| 376 | G | 76 | Confident | 69.7 | Low | 23 Ų | 23 | 93.9 Ų | 93.9 | 24% | 0.237 | 53% | 0.531 | C | S | . | . | S | Bend | trans | 76.9 | 23 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D373 | D373-G376 VanDerWaalsContact CG-N 3.28Å; D373-G376 PolarHBondContact OD1-N 2.89Å; D373-G376 WeakPolarHBondContact OD2-CA 3.46Å; D373-G376 PolarHBondContact OD2-N 2.9Å |
| 377 | V | 71.7 | Confident | 68.2 | Low | 117 Ų | 117 | 98.5 Ų | 98.5 | 71% | 0.709 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -75.3 | -29.6 | -179 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | D373 F375 | D373-V377 VanDerWaalsContact CG-N 3.33Å; D373-V377 PolarHBondContact OD1-N 2.8Å; D373-V377 VanDerWaalsContact OD1-N 3.15Å; D373-V377 PolarHBondContact OD2-N 3.45Å; F375-V377 HydrophobicContact CB-CG2 3.85Å |
| 378 | D | 64.4 | Low | 66.8 | Low | 133 Ų | 133 | 104.4 Ų | 104.4 | 71% | 0.711 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -102 | 11.8 | -177.6 | -67.8 | -29.9 | 0 | 0 | 0 | 112.8 | D373 P380 | D373-D378 HydrophobicContact CB-CB 4.34Å; D373-D378 PolarHBondContact OD2-N 2.88Å; D378-P380 WeakPolarHBondContact O-CD 3.28Å |
| 379 | L | 60 | Low | 65.3 | Low | 105 Ų | 105 | 104.2 Ų | 104.2 | 55% | 0.55 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 121.2 | 174.1 | -83.3 | 154.6 | 0 | 0 | 0 | 109.2 | P344 Y381 | P344-L379 HydrophobicContact CG-CD1 4.09Å; L379-Y381 PolarHBondContact O-N 2.86Å; L379-Y381 VanDerWaalsContact O-N 3.07Å |
| 380 | P | 53.1 | Low | 64.1 | Low | 113 Ų | 113 | 111.4 Ų | 111.4 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.8 | 172.2 | 23.6 | -30 | 0 | 0 | 0 | 107.9 | D378 | D378-P380 WeakPolarHBondContact O-CD 3.28Š|
| 381 | Y | 47.7 | Very low | 63.3 | Low | 199 Ų | 199 | 112.7 Ų | 112.7 | 78% | 0.78 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.2 | 174.4 | -147.4 | -96 | 0 | 0 | 0 | 107.5 | L379 G383 N384 | L379-Y381 PolarHBondContact O-N 2.86Å; L379-Y381 VanDerWaalsContact O-N 3.07Å; Y381-G383 PolarHBondContact O-N 3.19Å; Y381-N384 PolarHBondContact O-N 2.94Å |
| 382 | P | 55.3 | Low | 62.6 | Low | 129 Ų | 129 | 117.6 Ų | 117.6 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 22 | -174.1 | 25.9 | -33.3 | 0 | 0 | 0 | 114.6 | ||
| 383 | G | 50.9 | Low | 62.4 | Low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 13.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y381 | Y381-G383 PolarHBondContact O-N 3.19Š|
| 384 | N | 45 | Very low | 62.2 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | -123.4 | 17.5 | -177.8 | -129.8 | 20.8 | 0 | 0 | 0 | 114.3 | Y381 P386 | Y381-N384 PolarHBondContact O-N 2.94Å; N384-P386 WeakPolarHBondContact O-CD 3.45Å | ||
| 385 | I | 50.9 | Low | 62.3 | Low | 142 Ų | 142 | 135.5 Ų | 135.5 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -77.9 | 116.9 | 160.6 | -49.3 | 170.1 | 0 | 0 | 0 | 103.8 | E387 | I385-E387 PolarHBondContact O-N 3.37Š|
| 386 | P | 50 | Low | 62.4 | Low | 91 Ų | 91 | 143.1 Ų | 143.1 | 59% | 0.591 | 73% | 0.734 | S | S | * | * | trans | -51.4 | 138.8 | 168.9 | -16.6 | 28.7 | 0 | 0 | 0 | 107.1 | N384 E388 | N384-P386 WeakPolarHBondContact O-CD 3.45Å; P386-E388 HydrophobicContact CB-CG 4.45Å; P386-E388 PolarHBondContact O-N 2.87Å | ||
| 387 | E | 53.7 | Low | 62.8 | Low | 201 Ų | 201 | 145.3 Ų | 145.3 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | trans | -58.2 | 74 | 164.8 | -74.6 | 173 | 156.7 | 0 | 0 | 108.2 | I385 E389 | I385-E387 PolarHBondContact O-N 3.37Å; E387-E389 PolarHBondContact O-N 3.15Å | ||
| 388 | E | 53.6 | Low | 63.2 | Low | 168 Ų | 168 | 145.4 Ų | 145.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -71.1 | 95.3 | 164.4 | -77.3 | -174.3 | 168.7 | 0 | 0 | 104.2 | P386 E390 | P386-E388 HydrophobicContact CB-CG 4.45Å; P386-E388 PolarHBondContact O-N 2.87Å; E388-E390 PolarHBondContact O-N 2.84Å | ||
| 389 | E | 51.3 | Low | 63.8 | Low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 4.4 | 109 | 166.2 | -65.1 | 177.1 | 164.9 | 0 | 0 | 112.3 | E387 V391 | E387-E389 PolarHBondContact O-N 3.15Å; E389-V391 VanDerWaalsContact C-N 3.26Å; E389-V391 WeakPolarHBondContact O-CG2 3.44Å; E389-V391 PolarHBondContact O-N 2.89Å | ||
| 390 | E | 61.5 | Low | 64.3 | Low | 197 Ų | 197 | 149.4 Ų | 149.4 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -45.8 | 91.2 | 175.4 | -68.7 | 179.2 | 160.3 | 0 | 0 | 110.3 | E388 E392 | E388-E390 PolarHBondContact O-N 2.84Å; E390-E392 PolarHBondContact O-N 2.96Å | ||
| 391 | V | 67.7 | Low | 64.7 | Low | 121 Ų | 121 | 148.4 Ų | 148.4 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -64.1 | 117.3 | 179 | 177.5 | 0 | 0 | 0 | 0 | 105.4 | E389 T393 | E389-V391 VanDerWaalsContact C-N 3.26Å; E389-V391 WeakPolarHBondContact O-CG2 3.44Å; E389-V391 PolarHBondContact O-N 2.89Å; V391-T393 WeakPolarHBondContact O-CG2 3.31Å; V391-T393 PolarHBondContact O-N 3.11Å | ||
| 392 | E | 68.6 | Low | 65.1 | Low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -55.8 | 103.4 | 174.8 | -72 | 179.1 | -176.1 | 0 | 0 | 109.1 | E390 R394 | E390-E392 PolarHBondContact O-N 2.96Å; E392-R394 VanDerWaalsContact C-N 3.27Å | ||
| 393 | T | 79.2 | Confident | 64.8 | Low | 128 Ų | 128 | 149.2 Ų | 149.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -88.5 | 2.5 | 177.9 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | V391 | V391-T393 WeakPolarHBondContact O-CG2 3.31Å; V391-T393 PolarHBondContact O-N 3.11Å | ||
| 394 | R | 80.3 | Confident | 64.4 | Low | 162 Ų | 162 | 154.8 Ų | 154.8 | 61% | 0.611 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -60.2 | 138.9 | 176.5 | -69.4 | -175.9 | 177.2 | -180 | -0.1 | 109.7 | E392 W396 E400 | E392-R394 VanDerWaalsContact C-N 3.27Å; R394-W396 PolarHBondContact O-N 3.27Å; R394-E400 IonicContact NH1-OE1 2.88Å; R394-E400 PolarHBondContact NH1-OE1 3.26Å |
| 395 | H | 84 | Confident | 64.1 | Low | 152 Ų | 152 | 152.9 Ų | 152.9 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 135.7 | 179.8 | -70.2 | 73.3 | 0 | 0 | 0 | 109 | G397 E398 | H395-G397 PolarHBondContact O-N 3.11Å; H395-G397 VanDerWaalsContact O-N 3.11Å; H395-E398 PolarHBondContact N-OE2 2.94Å; H395-E398 VanDerWaalsContact N-OE2 3.15Å; H395-E398 WeakPolarHBondContact O-CB 3.39Å; H395-E398 PolarHBondContact O-N 3.43Å |
| 396 | W | 85.7 | Confident | 63.7 | Low | 265 Ų | 265 | 151.3 Ų | 151.3 | 100% | 1.004 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 121.7 | 176.6 | -175.1 | 81.2 | 0 | 0 | 0 | 110.6 | R394 | R394-W396 PolarHBondContact O-N 3.27Š|
| 397 | G | 84.3 | Confident | 63.3 | Low | 69 Ų | 69 | 155.6 Ų | 155.6 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.5 | 7.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H395 M399 | H395-G397 PolarHBondContact O-N 3.11Å; H395-G397 VanDerWaalsContact O-N 3.11Å; G397-M399 PolarHBondContact O-N 2.98Å |
| 398 | E | 79.9 | Confident | 62.7 | Low | 118 Ų | 118 | 155.2 Ų | 155.2 | 55% | 0.551 | 78% | 0.779 | S | S | * | * | trans | -64.8 | 113.6 | 163.7 | -169.7 | 164.4 | -166.5 | 0 | 0 | 108.2 | H395 E400 | H395-E398 PolarHBondContact N-OE2 2.94Å; H395-E398 VanDerWaalsContact N-OE2 3.15Å; H395-E398 WeakPolarHBondContact O-CB 3.39Å; H395-E398 PolarHBondContact O-N 3.43Å; E398-E400 PolarHBondContact O-N 3.22Å | ||
| 399 | M | 78.1 | Confident | 62 | Low | 175 Ų | 175 | 156.4 Ų | 156.4 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.4 | 171.5 | -78.4 | 177.1 | 173 | 0 | 0 | 107.3 | G397 S401 | G397-M399 PolarHBondContact O-N 2.98Å; M399-S401 PolarHBondContact O-N 2.76Å; M399-S401 VanDerWaalsContact O-N 3.17Å |
| 400 | E | 70.6 | Confident | 61.4 | Low | 148 Ų | 148 | 153.9 Ų | 153.9 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 124 | 167.1 | -61 | -170.3 | 134.6 | 0 | 0 | 106.9 | R394 E398 E402 | R394-E400 IonicContact NH1-OE1 2.88Å; R394-E400 PolarHBondContact NH1-OE1 3.26Å; E398-E400 PolarHBondContact O-N 3.22Å; E400-E402 PolarHBondContact O-N 3.04Å; E400-E402 VanDerWaalsContact O-N 3.16Å |
| 401 | S | 61.4 | Low | 60.1 | Low | 92 Ų | 92 | 154 Ų | 154 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 124.3 | -178.1 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | M399 E403 | M399-S401 PolarHBondContact O-N 2.76Å; M399-S401 VanDerWaalsContact O-N 3.17Å; S401-E403 PolarHBondContact O-N 2.99Å |
| 402 | E | 54.8 | Low | 58.6 | Low | 175 Ų | 175 | 153.3 Ų | 153.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -62.3 | 18.7 | 178.3 | -65.7 | 178 | 159.4 | 0 | 0 | 113.9 | E400 E404 S405 | E400-E402 PolarHBondContact O-N 3.04Å; E400-E402 VanDerWaalsContact O-N 3.16Å; E402-E404 PolarHBondContact O-N 3.43Å; E402-S405 PolarHBondContact O-N 3.29Å |
| 403 | E | 49.9 | Very low | 56.9 | Low | 170 Ų | 170 | 154.1 Ų | 154.1 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -68.3 | -13.6 | -179.9 | -78 | -174.2 | 162.4 | 0 | 0 | 113.5 | S401 | S401-E403 PolarHBondContact O-N 2.99Š|
| 404 | E | 41.6 | Very low | 54.9 | Low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -80.8 | -10.3 | 171.1 | -80.9 | -171.4 | 166 | 0 | 0 | 114.3 | E402 S406 | E402-E404 PolarHBondContact O-N 3.43Å; E404-S406 PolarHBondContact O-N 3.41Å |
| 405 | S | 40.3 | Very low | 52.8 | Low | 109 Ų | 109 | 153.7 Ų | 153.7 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -86.5 | 1.6 | -174.5 | -168.9 | 0 | 0 | 0 | 0 | 115 | E402 | E402-S405 PolarHBondContact O-N 3.29Š|
| 406 | S | 41.8 | Very low | 50.5 | Low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -110.7 | 1.7 | -175.8 | -169.2 | 0 | 0 | 0 | 0 | 114.7 | E404 | E404-S406 PolarHBondContact O-N 3.41Š|
| 407 | E | 41.7 | Very low | 48.2 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -95.2 | -1.3 | -176.1 | -115.3 | 176.3 | 177.4 | 0 | 0 | 114.9 | ||
| 408 | E | 40.6 | Very low | 45.8 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -106 | 8 | -177.1 | -75.3 | -165 | 157.5 | 0 | 0 | 116.3 | ||
| 409 | E | 39.4 | Very low | 43.9 | Very low | 194 Ų | 194 | 152 Ų | 152 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -126.9 | 23.8 | -170.7 | -123.3 | -174 | -163 | 0 | 0 | 117.4 | ||
| 410 | S | 37.4 | Very low | 42.2 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -133.6 | 57.4 | 178.2 | -174.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 411 | E | 34.3 | Very low | 40.8 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -115.1 | 91.5 | 157.2 | -106.5 | -172 | 171.2 | 0 | 0 | 109.3 | ||||
| 412 | S | 37 | Very low | 39.8 | Very low | 107 Ų | 107 | 152.9 Ų | 152.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -166.5 | 120.7 | 155.1 | 42.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | E | 33.1 | Very low | 39.2 | Very low | 193 Ų | 193 | 153 Ų | 153 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | 57.6 | 112.1 | 147.2 | -55.4 | -164.9 | 167.8 | 0 | 0 | 120.2 | ||||
| 414 | A | 36.6 | Very low | 38.7 | Very low | 99 Ų | 99 | 150.2 Ų | 150.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 172.5 | 111.3 | 104 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 415 | E | 35.8 | Very low | 38.7 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -66.5 | 162.3 | 152.2 | -75.3 | -177.2 | 142.5 | 0 | 0 | 110.7 | ||||
| 416 | V | 36 | Very low | 38.6 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | 121.4 | 126.8 | 141.3 | -171.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 417 | N | 37.6 | Very low | 38.4 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | 93.8 | 98.5 | 167.9 | -56.5 | -38.9 | 0 | 0 | 0 | 115.9 | ||||
| 418 | E | 34.1 | Very low | 38.4 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | 61 | 119.6 | 64.1 | -64 | -167.1 | 166 | 0 | 0 | 114.5 | |||||
| 419 | D | 40.9 | Very low | 38.4 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 155.1 | 99.5 | 140.9 | -75.1 | -18 | 0 | 0 | 0 | 108.7 | ||||
| 420 | E | 41.8 | Very low | 38.6 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | 97.3 | 104.7 | 92.9 | -128.7 | -174.3 | -177.4 | 0 | 0 | 110.9 | |||||
| 421 | D | 41.2 | Very low | 38.9 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | 165.2 | 117.1 | 119.2 | -88.5 | -33.4 | 0 | 0 | 0 | 114.4 | |||||
| 422 | N | 40.5 | Very low | 39.5 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 59.5 | 106.2 | 143.2 | -81 | -41.2 | 0 | 0 | 0 | 120.9 | ||||
| 423 | L | 42.5 | Very low | 39.9 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | -178.6 | 114.9 | 109.9 | -90.8 | 158.9 | 0 | 0 | 0 | 109.9 | |||||
| 424 | P | 38.7 | Very low | 40.6 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -105.5 | 138.3 | -179.4 | 36 | -27.3 | 0 | 0 | 0 | 113.2 | ||||
| 425 | A | 41 | Very low | 41.1 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -157.9 | 106.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 426 | P | 37.6 | Very low | 41.4 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -104.7 | -168.4 | -171 | 31.4 | -17.3 | 0 | 0 | 0 | 113.6 | ||||
| 427 | V | 38.9 | Very low | 41.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 83.4 | 134.5 | 161.9 | -115.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 428 | V | 41.5 | Very low | 41.7 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -165.5 | 156.8 | 18.7 | -148.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 429 | E | 41.2 | Very low | 41.9 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 63.7 | 134.3 | 149.1 | -77.6 | 159.3 | -176.5 | 0 | 0 | 119.8 | ||||
| 430 | G | 42.1 | Very low | 41.9 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | 174.8 | 146.1 | 7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 431 | L | 45.1 | Very low | 41.9 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | 149.3 | 97.2 | 110.4 | -169.2 | 70.2 | 0 | 0 | 0 | 105.5 | |||||
| 432 | I | 46.6 | Very low | 41.6 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | 49.1 | 103.6 | 79.3 | -29.1 | 151.3 | 0 | 0 | 0 | 113.8 | |||||
| 433 | T | 45.1 | Very low | 41.8 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | -179.1 | 136.4 | 103 | 38.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 434 | P | 47.7 | Very low | 41.8 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -107.2 | 160.5 | 175.5 | 39.4 | -31.3 | 0 | 0 | 0 | 113.7 | ||||
| 435 | S | 47 | Very low | 42.5 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | trans | -144.1 | 124.9 | 161.7 | -73.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 436 | G | 42.1 | Very low | 42.9 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | 117.3 | 76.4 | 17.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 437 | I | 45.3 | Very low | 43.5 | Very low | 174 Ų | 174 | 124.4 Ų | 124.4 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | -153.1 | 113.2 | 147.4 | 44.5 | 169.1 | 0 | 0 | 0 | 110.2 | ||||
| 438 | S | 34.9 | Very low | 43.9 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -115.7 | 131.1 | 165 | -49.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 439 | T | 37.9 | Very low | 44.2 | Very low | 141 Ų | 141 | 125 Ų | 125 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -159 | 115.5 | 161.3 | -50.4 | 0 | 0 | 0 | 0 | 104 | ||||
| 440 | G | 42 | Very low | 44.4 | Very low | 62 Ų | 62 | 122 Ų | 122 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | cis | 107.3 | 131.7 | 34.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 441 | V | 41.8 | Very low | 44.8 | Very low | 135 Ų | 135 | 126 Ų | 126 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 92.7 | 99.8 | 172.8 | -164 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 442 | S | 34.7 | Very low | 45.3 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | 74.1 | 120.3 | 43.3 | 82.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 443 | G | 44.4 | Very low | 45.6 | Very low | 84 Ų | 84 | 128 Ų | 128 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | 134.6 | 105.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 444 | G | 43.4 | Very low | 45.7 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | cis | 114.7 | 85.4 | 26.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 445 | V | 51.6 | Low | 45.9 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | -152.4 | 103.7 | 153.9 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 446 | E | 49.4 | Very low | 46 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -79 | 131.6 | 165.1 | -68 | 170.5 | 145.5 | 0 | 0 | 109.5 | ||||
| 447 | T | 50.2 | Low | 46.3 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -142 | 106.6 | 151.2 | 49.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 448 | P | 47 | Very low | 46.2 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -97.2 | 173.1 | 177.2 | 37.8 | -31.9 | 0 | 0 | 0 | 112.6 | ||||
| 449 | D | 47.9 | Very low | 46.8 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | 87.5 | 101.4 | 151.5 | -65.5 | -16.2 | 0 | 0 | 0 | 121.1 | ||||
| 450 | T | 46.4 | Very low | 47.4 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | 73.2 | 103.8 | 138.7 | 64.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 451 | I | 51.2 | Low | 47.8 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -118.4 | 92.5 | 158.2 | -57.3 | 175.2 | 0 | 0 | 0 | 107.5 | L453 | I451-L453 HydrophobicContact CG2-CD2 4.37Å; I451-L453 HydrophobicContact CG2-CG 4.14Å; I451-L453 PolarHBondContact O-N 3.42Å | ||
| 452 | E | 53.8 | Low | 47.9 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -77.3 | 104.2 | 168.4 | -74.4 | -166.9 | 147.8 | 0 | 0 | 110.4 | R454 | E452-R454 PolarHBondContact O-N 3.4Š| ||
| 453 | L | 53.3 | Low | 48.3 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | -87.4 | 78.4 | 169.3 | -67.8 | 166.7 | 0 | 0 | 0 | 110.2 | I451 | I451-L453 HydrophobicContact CG2-CD2 4.37Å; I451-L453 HydrophobicContact CG2-CG 4.14Å; I451-L453 PolarHBondContact O-N 3.42Å | ||
| 454 | R | 47.1 | Very low | 48.2 | Very low | 199 Ų | 199 | 156.2 Ų | 156.2 | 75% | 0.751 | 82% | 0.821 | S | S | * | * | trans | -126.1 | 119 | 159.9 | -90.4 | -164.8 | -153.8 | 105.6 | 0.4 | 111.8 | E452 K456 | E452-R454 PolarHBondContact O-N 3.4Å; R454-K456 PolarHBondContact O-N 2.78Å | ||
| 455 | K | 52.1 | Low | 48.2 | Very low | 217 Ų | 217 | 161.5 Ų | 161.5 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -66.8 | 85.9 | 167.8 | -168.1 | 177.1 | -177.1 | 177.9 | 0 | 110.1 | ||||
| 456 | K | 50.2 | Low | 48.2 | Very low | 188 Ų | 188 | 161.7 Ų | 161.7 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | trans | -96.6 | 102.3 | 164.2 | -78.9 | -176.6 | 175 | 175.3 | 0 | 109 | R454 | R454-K456 PolarHBondContact O-N 2.78Š| ||
| 457 | K | 47.9 | Very low | 48.6 | Very low | 200 Ų | 200 | 158.3 Ų | 158.3 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -157.7 | 32 | 167.4 | -152.3 | -174.6 | 170.8 | 174 | 0 | 115.4 | ||||
| 458 | L | 44.1 | Very low | 49.7 | Very low | 166 Ų | 166 | 156.7 Ų | 156.7 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -155.4 | 39.7 | 177 | -127.7 | 160.6 | 0 | 0 | 0 | 114.6 | ||||
| 459 | L | 46.3 | Very low | 51 | Low | 175 Ų | 175 | 160.1 Ų | 160.1 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -113.9 | 24.4 | -176.1 | -154.5 | 96.6 | 0 | 0 | 0 | 114.9 | ||
| 460 | E | 49.7 | Very low | 52.7 | Low | 191 Ų | 191 | 162.2 Ų | 162.2 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -135.7 | 7.3 | -176.4 | -109.2 | 178.6 | 171.4 | 0 | 0 | 117.5 | ||
| 461 | E | 50.9 | Low | 54.2 | Low | 190 Ų | 190 | 161 Ų | 161 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -128.6 | 20.3 | -172.3 | -79.6 | -172.8 | 154.6 | 0 | 0 | 117.2 | ||
| 462 | A | 44.1 | Very low | 55.6 | Low | 90 Ų | 90 | 159.6 Ų | 159.6 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | -142.2 | 67.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G464 | A462-G464 PolarHBondContact O-N 3.25Š| ||
| 463 | E | 42.9 | Very low | 57 | Low | 215 Ų | 215 | 154.4 Ų | 154.4 | 100% | 1.005 | 80% | 0.798 | S | S | * | * | trans | -68.1 | 86.8 | 150.7 | -74.4 | -169.4 | 150.1 | 0 | 0 | 108.7 | ||||
| 464 | G | 42.5 | Very low | 58.5 | Low | 60 Ų | 60 | 150.6 Ų | 150.6 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 176 | 100.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A462 | A462-G464 PolarHBondContact O-N 3.25Š|
| 465 | E | 44.6 | Very low | 60.2 | Low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 42.1 | 97.1 | 170.3 | -68.9 | -176.8 | 160.7 | 0 | 0 | 116.8 | P467 | E465-P467 WeakPolarHBondContact O-CD 3.46Å; E465-P467 VanDerWaalsContact O-N 3.14Å | ||
| 466 | V | 50.3 | Low | 61.4 | Low | 143 Ų | 143 | 141 Ų | 141 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -55 | 117.8 | 168.5 | -149.8 | 0 | 0 | 0 | 0 | 108.8 | S468 | V466-S468 PolarHBondContact O-N 3.26Å; V466-S468 VanDerWaalsContact O-N 3.1Å |
| 467 | P | 58.3 | Low | 62.6 | Low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.8 | 178.9 | 23.7 | -30.5 | 0 | 0 | 0 | 108.9 | E465 L469 | E465-P467 WeakPolarHBondContact O-CD 3.46Å; E465-P467 VanDerWaalsContact O-N 3.14Å; P467-L469 PolarHBondContact O-N 3.18Å |
| 468 | S | 73.7 | Confident | 63.4 | Low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.7 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | V466 Y470 | V466-S468 PolarHBondContact O-N 3.26Å; V466-S468 VanDerWaalsContact O-N 3.1Å; S468-Y470 PolarHBondContact O-N 3.31Å; S468-Y470 VanDerWaalsContact O-N 3.08Å |
| 469 | L | 74.8 | Confident | 64.5 | Low | 178 Ų | 178 | 135.4 Ų | 135.4 | 93% | 0.932 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -60.8 | -19.2 | -177.1 | -133.3 | 115 | 0 | 0 | 0 | 113.7 | P467 | P467-L469 PolarHBondContact O-N 3.18Š|
| 470 | Y | 81.9 | Confident | 65.2 | Low | 181 Ų | 181 | 138.3 Ų | 138.3 | 71% | 0.71 | 72% | 0.724 | S | S | * | * | trans | -146.2 | 148.4 | -179.9 | 62.7 | -85.1 | 0 | 0 | 0 | 110.4 | S468 V472 | S468-Y470 PolarHBondContact O-N 3.31Å; S468-Y470 VanDerWaalsContact O-N 3.08Å; Y470-V472 HydrophobicContact CD2-CG2 4Å; Y470-V472 HydrophobicContact CE2-CG2 3.87Å | ||
| 471 | S | 78.8 | Confident | 65.7 | Low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | -113.7 | 124.1 | 166.9 | 61.8 | 0 | 0 | 0 | 0 | 108.9 | L473 | S471-L473 PolarHBondContact O-N 3.18Š| ||
| 472 | V | 81.4 | Confident | 66.1 | Low | 124 Ų | 124 | 131.9 Ų | 131.9 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -72.6 | 114.8 | 179.1 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | Y470 | Y470-V472 HydrophobicContact CD2-CG2 4Å; Y470-V472 HydrophobicContact CE2-CG2 3.87Å | ||
| 473 | L | 83.1 | Confident | 67.4 | Low | 64 Ų | 64 | 131.1 Ų | 131.1 | 34% | 0.335 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -77.4 | 127.8 | 174.4 | -69.7 | 164.9 | 0 | 0 | 0 | 109.9 | S471 Y492 D493 V494 | S471-L473 PolarHBondContact O-N 3.18Å; L473-Y492 HydrophobicContact CB-CD1 4.43Å; L473-D493 WeakPolarHBondContact CD2-O 3.28Å; L473-V494 HydrophobicContact CD1-CG1 3.99Å; L473-V494 HydrophobicContact CD2-CG1 4.45Å |
| 474 | P | 83.4 | Confident | 68.3 | Low | 84 Ų | 84 | 127.6 Ų | 127.6 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 137.9 | 177.6 | 25.1 | -30.1 | 0 | 0 | 0 | 111.2 | D493 | P474-D493 HydrophobicContact CG-CB 4.27Å; P474-D493 PolarHBondContact O-N 3.26Å |
| 475 | E | 82.7 | Confident | 69.2 | Low | 87 Ų | 87 | 134.3 Ų | 134.3 | 41% | 0.407 | 71% | 0.713 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 128.3 | 175.3 | -170.8 | -162 | 148.1 | 0 | 0 | 110.7 | H490 Y492 | E475-H490 HydrophobicContact CG-CB 4.32Å; E475-H490 IonicContact OE1-CD2 3.85Å; E475-H490 PolarHBondContact OE1-CD2 3.36Å; E475-H490 IonicContact OE1-CG 3.79Å; E475-H490 IonicContact OE1-NE2 2.7Å; E475-H490 IonicContact OE2-CD2 2.76Å; E475-Y492 HydrophobicContact CB-CD1 4.36Å; E475-Y492 HydrophobicContact CB-CE1 4.35Å |
| 476 | K | 78.1 | Confident | 70.3 | Confident | 127 Ų | 127 | 134.3 Ų | 134.3 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 109 | 171.3 | -170.5 | 173.4 | -175.8 | 172 | 0 | 109.3 | V478 V491 | K476-V478 PolarHBondContact O-N 3.32Å; K476-V491 CarbonylContact C-O 3.52Å; K476-V491 WeakPolarHBondContact CA-O 3.44Å; K476-V491 PolarHBondContact N-O 3.46Å; K476-V491 VanDerWaalsContact O-O 3.07Å |
| 477 | K | 74.3 | Confident | 71 | Confident | 176 Ų | 176 | 130 Ų | 130 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | trans | -66.6 | 114.8 | 173 | -70.7 | -179.1 | 179.3 | 175.9 | 0 | 109.8 | ||||
| 478 | V | 66.6 | Low | 71.5 | Confident | 73 Ų | 73 | 129.3 Ų | 129.3 | 44% | 0.442 | 70% | 0.698 | S | S | . | * | trans | -96.3 | 121.6 | 172.6 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | K476 R480 I481 V491 | K476-V478 PolarHBondContact O-N 3.32Å; V478-R480 PolarHBondContact O-N 3.07Å; V478-I481 HydrophobicContact CG1-CG1 4.44Å; V478-V491 HydrophobicContact CB-CG2 4.41Å; V478-V491 HydrophobicContact CG2-CB 3.97Å; V478-V491 HydrophobicContact CG2-CG1 4.49Å; V478-V491 HydrophobicContact CG2-CG2 3.81Å | ||
| 479 | E | 65.3 | Low | 71.4 | Confident | 187 Ų | 187 | 129.3 Ų | 129.3 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -62.9 | 130.3 | 167.8 | -75.4 | -170.7 | 155.8 | 0 | 0 | 109.2 | I481 | E479-I481 PolarHBondContact O-N 3.46Å; E479-I481 VanDerWaalsContact O-N 3.12Å | ||
| 480 | R | 61.6 | Low | 71.5 | Confident | 236 Ų | 236 | 125.5 Ų | 125.5 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | trans | -37.5 | 117.3 | -175.2 | -68.3 | -179 | -176.7 | 177.5 | 0.5 | 111.9 | V478 S482 | V478-R480 PolarHBondContact O-N 3.07Å; R480-S482 PolarHBondContact O-N 3.5Å | ||
| 481 | I | 60.3 | Low | 71.2 | Confident | 118 Ų | 118 | 119.8 Ų | 119.8 | 61% | 0.605 | 66% | 0.655 | S | S | * | * | trans | -60.4 | 111.9 | 169.7 | -59.9 | 169.1 | 0 | 0 | 0 | 107.1 | V478 E479 G483 Q484 | V478-I481 HydrophobicContact CG1-CG1 4.44Å; E479-I481 PolarHBondContact O-N 3.46Å; E479-I481 VanDerWaalsContact O-N 3.12Å; I481-G483 VanDerWaalsContact C-N 3.26Å; I481-G483 PolarHBondContact O-N 3.48Å; I481-Q484 PolarHBondContact O-N 3.4Å | ||
| 482 | S | 59.4 | Low | 71.3 | Confident | 128 Ų | 128 | 121.4 Ų | 121.4 | 90% | 0.895 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 83.5 | 177.2 | 168.2 | 0 | 0 | 0 | 0 | 110 | R480 | R480-S482 PolarHBondContact O-N 3.5Š|
| 483 | G | 70.7 | Confident | 71.3 | Confident | 74 Ų | 74 | 118.2 Ų | 118.2 | 76% | 0.763 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.6 | -24.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I481 | I481-G483 VanDerWaalsContact C-N 3.26Å; I481-G483 PolarHBondContact O-N 3.48Å |
| 484 | Q | 63.3 | Low | 71.1 | Confident | 141 Ų | 141 | 118.2 Ų | 118.2 | 66% | 0.659 | 63% | 0.628 | S | S | * | * | trans | -112.1 | 122.3 | -179.2 | -72.4 | 179 | -19.9 | 0 | 0 | 111.1 | I481 M486 | I481-Q484 PolarHBondContact O-N 3.4Å; Q484-M486 VanDerWaalsContact C-N 3.29Å; Q484-M486 PolarHBondContact O-N 3.26Å | ||
| 485 | M | 60.5 | Low | 70.7 | Confident | 201 Ų | 201 | 117.4 Ų | 117.4 | 99% | 0.99 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -77.5 | -11.5 | -172.6 | -147 | 178.1 | -167.6 | 0 | 0 | 113.6 | ||
| 486 | M | 66.8 | Low | 70.1 | Confident | 187 Ų | 187 | 116.7 Ų | 116.7 | 92% | 0.921 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -141 | 98.1 | 170.2 | -80.4 | -168 | 178.6 | 0 | 0 | 108.5 | Q484 | Q484-M486 VanDerWaalsContact C-N 3.29Å; Q484-M486 PolarHBondContact O-N 3.26Å |
| 487 | G | 65.1 | Low | 69.6 | Low | 53 Ų | 53 | 113.1 Ų | 113.1 | 55% | 0.546 | 63% | 0.627 | S | S | . | * | trans | -116.7 | 139.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T489 | G487-T489 PolarHBondContact O-N 3.4Š| ||
| 488 | S | 70.4 | Confident | 69.1 | Low | 99 Ų | 99 | 111.1 Ų | 111.1 | 69% | 0.692 | 62% | 0.622 | S | S | * | * | trans | -59.2 | 135.6 | 175.7 | 63.2 | 0 | 0 | 0 | 0 | 109.6 | H490 | S488-H490 PolarHBondContact O-N 3.23Å; S488-H490 PolarHBondContact OG-O 3.28Å | ||
| 489 | T | 70.8 | Confident | 68.8 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -75 | -11.8 | -176.6 | 40.8 | 0 | 0 | 0 | 0 | 113.8 | G487 | G487-T489 PolarHBondContact O-N 3.4Š|
| 490 | H | 75.9 | Confident | 68.5 | Low | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.449 | 63% | 0.63 | S | S | . | * | trans | -125.7 | 126.1 | -176.2 | -52.5 | 73.6 | 0 | 0 | 0 | 108 | E475 S488 | E475-H490 HydrophobicContact CG-CB 4.32Å; E475-H490 IonicContact OE1-CD2 3.85Å; E475-H490 PolarHBondContact OE1-CD2 3.36Å; E475-H490 IonicContact OE1-CG 3.79Å; E475-H490 IonicContact OE1-NE2 2.7Å; E475-H490 IonicContact OE2-CD2 2.76Å; S488-H490 PolarHBondContact O-N 3.23Å; S488-H490 PolarHBondContact OG-O 3.28Å | ||
| 491 | V | 77.1 | Confident | 68.3 | Low | 62 Ų | 62 | 109.9 Ų | 109.9 | 38% | 0.376 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125 | 134.2 | 173.9 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | K476 V478 | K476-V491 CarbonylContact C-O 3.52Å; K476-V491 WeakPolarHBondContact CA-O 3.44Å; K476-V491 PolarHBondContact N-O 3.46Å; K476-V491 VanDerWaalsContact O-O 3.07Å; V478-V491 HydrophobicContact CB-CG2 4.41Å; V478-V491 HydrophobicContact CG2-CB 3.97Å; V478-V491 HydrophobicContact CG2-CG1 4.49Å; V478-V491 HydrophobicContact CG2-CG2 3.81Å |
| 492 | Y | 81.3 | Confident | 67.7 | Low | 133 Ų | 133 | 112.6 Ų | 112.6 | 52% | 0.522 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 142.3 | 179.6 | -61.3 | -81.5 | 0 | 0 | 0 | 110.8 | L473 E475 V494 | L473-Y492 HydrophobicContact CB-CD1 4.43Å; E475-Y492 HydrophobicContact CB-CD1 4.36Å; E475-Y492 HydrophobicContact CB-CE1 4.35Å; Y492-V494 PolarHBondContact O-N 3.48Å |
| 493 | D | 79.9 | Confident | 66.9 | Low | 57 Ų | 57 | 114.2 Ų | 114.2 | 31% | 0.305 | 63% | 0.633 | S | S | . | * | trans | -79.9 | 100.7 | 177.6 | -164.7 | -16.8 | 0 | 0 | 0 | 110.8 | L473 P474 S495 | L473-D493 WeakPolarHBondContact CD2-O 3.28Å; P474-D493 HydrophobicContact CG-CB 4.27Å; P474-D493 PolarHBondContact O-N 3.26Å; D493-S495 VanDerWaalsContact OD1-CB 3.23Å; D493-S495 WeakPolarHBondContact OD1-CB 3.41Å; D493-S495 PolarHBondContact OD1-N 3.17Å; D493-S495 VanDerWaalsContact OD1-N 3.1Å; D493-S495 PolarHBondContact OD1-OG 3.15Å | ||
| 494 | V | 78.4 | Confident | 65.7 | Low | 64 Ų | 64 | 116.2 Ų | 116.2 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | trans | -91.7 | 7.4 | 178.4 | -73.7 | 0 | 0 | 0 | 0 | 113.8 | L473 Y492 A496 A497 M498 | L473-V494 HydrophobicContact CD1-CG1 3.99Å; L473-V494 HydrophobicContact CD2-CG1 4.45Å; Y492-V494 PolarHBondContact O-N 3.48Å; V494-A496 VanDerWaalsContact C-N 3.3Å; V494-A496 PolarHBondContact O-N 2.95Å; V494-A497 PolarHBondContact O-N 2.92Å; V494-A497 VanDerWaalsContact O-N 3.1Å; V494-M498 HydrophobicContact CG2-CE 4.27Å; V494-M498 PolarHBondContact O-N 3.2Å | ||
| 495 | S | 76.1 | Confident | 64.6 | Low | 66 Ų | 66 | 118.6 Ų | 118.6 | 46% | 0.462 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.3 | -36.9 | -176.6 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | D493 M498 S499 | D493-S495 VanDerWaalsContact OD1-CB 3.23Å; D493-S495 WeakPolarHBondContact OD1-CB 3.41Å; D493-S495 PolarHBondContact OD1-N 3.17Å; D493-S495 VanDerWaalsContact OD1-N 3.1Å; D493-S495 PolarHBondContact OD1-OG 3.15Å; S495-M498 PolarHBondContact O-N 3.01Å; S495-S499 PolarHBondContact O-N 3.39Å; S495-S499 VanDerWaalsContact O-N 3.13Å; S495-S499 PolarHBondContact O-OG 3.33Å |
| 496 | A | 70.9 | Confident | 63.6 | Low | 73 Ų | 73 | 114.1 Ų | 114.1 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V494 S499 | V494-A496 VanDerWaalsContact C-N 3.3Å; V494-A496 PolarHBondContact O-N 2.95Å; A496-S499 PolarHBondContact O-N 3.37Å |
| 497 | A | 65.9 | Low | 62.3 | Low | 51 Ų | 51 | 110.3 Ų | 110.3 | 42% | 0.421 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.3 | -29.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V494 | V494-A497 PolarHBondContact O-N 2.92Å; V494-A497 VanDerWaalsContact O-N 3.1Å |
| 498 | M | 64 | Low | 61.4 | Low | 134 Ų | 134 | 115.5 Ų | 115.5 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -78.6 | -28.7 | 175.1 | -72.8 | -164.7 | -178.3 | 0 | 0 | 113.3 | V494 S495 L500 R501 | V494-M498 HydrophobicContact CG2-CE 4.27Å; V494-M498 PolarHBondContact O-N 3.2Å; S495-M498 PolarHBondContact O-N 3.01Å; M498-L500 PolarHBondContact O-N 2.9Å; M498-R501 PolarHBondContact O-N 3.02Å |
| 499 | S | 60.7 | Low | 60.2 | Low | 89 Ų | 89 | 114.6 Ų | 114.6 | 62% | 0.622 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.9 | -27.5 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | S495 A496 R501 | S495-S499 PolarHBondContact O-N 3.39Å; S495-S499 VanDerWaalsContact O-N 3.13Å; S495-S499 PolarHBondContact O-OG 3.33Å; A496-S499 PolarHBondContact O-N 3.37Å; S499-R501 VanDerWaalsContact C-N 3.26Å; S499-R501 PolarHBondContact O-N 3.32Å |
| 500 | L | 58.9 | Low | 59 | Low | 162 Ų | 162 | 112.9 Ų | 112.9 | 85% | 0.848 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -8.6 | 177.4 | -142.7 | 76.4 | 0 | 0 | 0 | 114.2 | M498 | M498-L500 PolarHBondContact O-N 2.9Š|
| 501 | R | 57 | Low | 58.1 | Low | 219 Ų | 219 | 111.6 Ų | 111.6 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 6.9 | -178.3 | -67.1 | -172.1 | 177.6 | -169.9 | -0.7 | 113.9 | M498 S499 | M498-R501 PolarHBondContact O-N 3.02Å; S499-R501 VanDerWaalsContact C-N 3.26Å; S499-R501 PolarHBondContact O-N 3.32Å |
| 502 | K | 47.7 | Very low | 57 | Low | 175 Ų | 175 | 117.8 Ų | 117.8 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | trans | -97.1 | 5 | -166.5 | -147.9 | 173.5 | 179.4 | 178.9 | 0 | 115.6 | T504 | K502-T504 PolarHBondContact O-N 2.82Š| ||
| 503 | D | 43.6 | Very low | 56.2 | Low | 163 Ų | 163 | 114.9 Ų | 114.9 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -80.5 | 13 | -179 | -77 | -21.2 | 0 | 0 | 0 | 115.5 | ||
| 504 | T | 45.9 | Very low | 55.5 | Low | 115 Ų | 115 | 117.9 Ų | 117.9 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -134.2 | 113.4 | 173 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | K502 | K502-T504 PolarHBondContact O-N 2.82Š|
| 505 | K | 40 | Very low | 54.8 | Low | 192 Ų | 192 | 117.6 Ų | 117.6 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | trans | 92.2 | 102.6 | 156.6 | -64.5 | 179.5 | 175.6 | 177.3 | 0 | 118.6 | ||||
| 506 | S | 39.3 | Very low | 54.5 | Low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | 61.2 | 104.8 | 121.2 | -34.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 507 | A | 38.8 | Very low | 54.5 | Low | 108 Ų | 108 | 121 Ų | 121 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | 53 | 68.8 | 61.7 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 508 | D | 47.3 | Very low | 54.7 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -157.2 | 138.7 | 143.7 | -158 | 7.6 | 0 | 0 | 0 | 110.8 | G510 | D508-G510 VanDerWaalsContact C-N 3.35Å; D508-G510 PolarHBondContact O-N 3.05Å | ||
| 509 | G | 44.2 | Very low | 54.6 | Low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | trans | -81.4 | 63.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 510 | G | 47.2 | Very low | 54.7 | Low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | trans | -87.5 | 129.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D508 E512 | D508-G510 VanDerWaalsContact C-N 3.35Å; D508-G510 PolarHBondContact O-N 3.05Å; G510-E512 PolarHBondContact O-N 3.21Å | ||
| 511 | I | 56.1 | Low | 54.9 | Low | 70 Ų | 70 | 124 Ų | 124 | 36% | 0.359 | 70% | 0.698 | S | S | . | * | trans | -70.3 | 109 | 174.1 | -60.6 | 161.5 | 0 | 0 | 0 | 108.8 | V513 L536 | I511-V513 HydrophobicContact CG2-CG2 4.14Å; I511-V513 PolarHBondContact O-N 2.94Å; I511-L536 HydrophobicContact CD1-CD1 4.1Å | ||
| 512 | E | 55 | Low | 55.1 | Low | 192 Ų | 192 | 120.9 Ų | 120.9 | 90% | 0.897 | 70% | 0.697 | S | S | * | * | trans | -74 | 107.3 | 173.5 | -75.3 | -175.4 | 166.2 | 0 | 0 | 110.7 | G510 | G510-E512 PolarHBondContact O-N 3.21Š| ||
| 513 | V | 63.2 | Low | 55.4 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 43% | 0.43 | 68% | 0.678 | S | S | . | * | trans | -99.1 | 100.3 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 108 | I511 L515 | I511-V513 HydrophobicContact CG2-CG2 4.14Å; I511-V513 PolarHBondContact O-N 2.94Å; V513-L515 HydrophobicContact CG1-CD1 4.45Å; V513-L515 HydrophobicContact CG1-CG 4.25Å; V513-L515 PolarHBondContact O-N 3.05Å | ||
| 514 | S | 64.6 | Low | 56.8 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | -76.2 | 106.4 | 174.8 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 515 | L | 64.4 | Low | 58 | Low | 58 Ų | 58 | 112.3 Ų | 112.3 | 30% | 0.304 | 67% | 0.673 | S | S | . | * | trans | -100.4 | 129.9 | 171.6 | -75.5 | 157.2 | 0 | 0 | 0 | 109.5 | V513 E519 L528 K531 | V513-L515 HydrophobicContact CG1-CD1 4.45Å; V513-L515 HydrophobicContact CG1-CG 4.25Å; V513-L515 PolarHBondContact O-N 3.05Å; L515-E519 HydrophobicContact CD2-CB 4.39Å; L515-L528 HydrophobicContact CD1-CD2 4.43Å; L515-K531 HydrophobicContact CD2-CD 4.15Å | ||
| 516 | N | 69.5 | Low | 59.7 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 56% | 0.561 | 66% | 0.659 | S | S | * | * | trans | -67.6 | 144.9 | 170.4 | -72.7 | -37.2 | 0 | 0 | 0 | 109.7 | D518 E519 | N516-D518 PolarHBondContact O-N 3.35Å; N516-D518 VanDerWaalsContact O-N 3.14Å; N516-E519 HydrophobicContact CB-CG 4.43Å; N516-E519 WeakPolarHBondContact O-CB 3.24Å; N516-E519 PolarHBondContact O-N 3.48Å | ||
| 517 | P | 71.5 | Confident | 61.4 | Low | 105 Ų | 105 | 103.1 Ų | 103.1 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -58.5 | -28.7 | -177.5 | 21.4 | -32 | 0 | 0 | 0 | 113.5 | E519 L520 | P517-E519 VanDerWaalsContact C-N 3.25Å; P517-E519 PolarHBondContact O-N 3.2Å; P517-L520 WeakPolarHBondContact O-CB 3.39Å; P517-L520 PolarHBondContact O-N 3.37Å |
| 518 | D | 69.5 | Low | 62.9 | Low | 139 Ų | 139 | 102 Ų | 102 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -71.5 | -15 | 175.8 | -61.8 | -23.2 | 0 | 0 | 0 | 113.9 | N516 | N516-D518 PolarHBondContact O-N 3.35Å; N516-D518 VanDerWaalsContact O-N 3.14Å |
| 519 | E | 63.4 | Low | 64.3 | Low | 86 Ų | 86 | 100.4 Ų | 100.4 | 40% | 0.402 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -91.5 | -6 | 177 | -64.2 | -172.6 | -169 | 0 | 0 | 112.8 | L515 N516 P517 K531 | L515-E519 HydrophobicContact CD2-CB 4.39Å; N516-E519 HydrophobicContact CB-CG 4.43Å; N516-E519 WeakPolarHBondContact O-CB 3.24Å; N516-E519 PolarHBondContact O-N 3.48Å; P517-E519 VanDerWaalsContact C-N 3.25Å; P517-E519 PolarHBondContact O-N 3.2Å; E519-K531 IonicContact OE2-NZ 3.5Å; E519-K531 PolarHBondContact OE2-NZ 3.22Å |
| 520 | L | 61.2 | Low | 66 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -29.5 | -175.9 | -148.5 | 82.6 | 0 | 0 | 0 | 112.9 | P517 | P517-L520 WeakPolarHBondContact O-CB 3.39Å; P517-L520 PolarHBondContact O-N 3.37Å |
| 521 | D | 63.9 | Low | 67.3 | Low | 157 Ų | 157 | 104 Ų | 104 | 84% | 0.84 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -5.7 | -176.6 | -90.4 | -8.9 | 0 | 0 | 0 | 114.4 | ||
| 522 | L | 61.1 | Low | 68.3 | Low | 155 Ų | 155 | 107 Ų | 107 | 81% | 0.812 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 5.3 | -171.9 | -82.9 | 131.6 | 0 | 0 | 0 | 114.4 | ||
| 523 | A | 54.8 | Low | 69.5 | Low | 44 Ų | 44 | 103.4 Ų | 103.4 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | trans | -113.3 | 101.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L528 | A523-L528 HydrophobicContact CB-CD1 4.42Š| ||
| 524 | D | 71.8 | Confident | 70 | Confident | 141 Ų | 141 | 105.7 Ų | 105.7 | 75% | 0.754 | 58% | 0.577 | S | S | * | * | trans | -49.8 | 149.3 | 162.3 | -76.5 | -30.4 | 0 | 0 | 0 | 110.7 | S526 G527 | D524-S526 PolarHBondContact O-N 3.14Å; D524-G527 PolarHBondContact O-N 3.3Å | ||
| 525 | A | 71.9 | Confident | 70.4 | Confident | 87 Ų | 87 | 100.9 Ų | 100.9 | 72% | 0.719 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -48.9 | -27.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q529 | A525-Q529 PolarHBondContact O-N 3.45Å |
| 526 | S | 74.9 | Confident | 70.9 | Confident | 78 Ų | 78 | 102.8 Ų | 102.8 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68 | -34.7 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 113.7 | D524 Q530 | D524-S526 PolarHBondContact O-N 3.14Å; S526-Q530 WeakPolarHBondContact O-CG 3.22Å; S526-Q530 PolarHBondContact O-N 2.84Å; S526-Q530 VanDerWaalsContact O-N 3.13Å |
| 527 | G | 75 | Confident | 70.9 | Confident | 28 Ų | 28 | 104.5 Ų | 104.5 | 29% | 0.289 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.9 | -34.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D524 Q530 K531 | D524-G527 PolarHBondContact O-N 3.3Å; G527-Q530 PolarHBondContact O-N 3.01Å; G527-K531 PolarHBondContact O-N 3.31Å; G527-K531 VanDerWaalsContact O-N 3.12Å |
| 528 | L | 70.4 | Confident | 70.6 | Confident | 85 Ų | 85 | 106 Ų | 106 | 45% | 0.445 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.1 | -40.6 | 174.8 | -117.3 | 122.4 | 0 | 0 | 0 | 111.5 | L515 A523 K531 Y532 | L515-L528 HydrophobicContact CD1-CD2 4.43Å; A523-L528 HydrophobicContact CB-CD1 4.42Å; L528-K531 PolarHBondContact O-N 3.05Å; L528-Y532 PolarHBondContact O-N 3.42Å |
| 529 | Q | 77.7 | Confident | 70.1 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.2 | -37.1 | 176.1 | -170.1 | 158.4 | -8.2 | 0 | 0 | 112.1 | A525 Y532 E533 | A525-Q529 PolarHBondContact O-N 3.45Å; Q529-Y532 PolarHBondContact O-N 3.17Å; Q529-E533 WeakPolarHBondContact O-CB 3.08Å; Q529-E533 WeakPolarHBondContact O-CG 3.33Å; Q529-E533 PolarHBondContact O-N 3.16Å |
| 530 | Q | 78.1 | Confident | 69.9 | Low | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.9 | -42.2 | 172.7 | -76.6 | -179 | 9.2 | 0 | 0 | 112.8 | S526 G527 Y532 E533 E534 | S526-Q530 WeakPolarHBondContact O-CG 3.22Å; S526-Q530 PolarHBondContact O-N 2.84Å; S526-Q530 VanDerWaalsContact O-N 3.13Å; G527-Q530 PolarHBondContact O-N 3.01Å; Q530-Y532 VanDerWaalsContact C-N 3.32Å; Q530-Y532 PolarHBondContact O-N 2.74Å; Q530-E533 PolarHBondContact O-N 3.17Å; Q530-E534 VanDerWaalsContact O-CB 3.26Å; Q530-E534 WeakPolarHBondContact O-CB 3.42Å; Q530-E534 PolarHBondContact O-N 3.27Å |
| 531 | K | 76.4 | Confident | 69.7 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -36.4 | 175.4 | -76.7 | -163.6 | 177.9 | -176.2 | 0 | 112 | L515 E519 G527 L528 E534 G535 | L515-K531 HydrophobicContact CD2-CD 4.15Å; E519-K531 IonicContact OE2-NZ 3.5Å; E519-K531 PolarHBondContact OE2-NZ 3.22Å; G527-K531 PolarHBondContact O-N 3.31Å; G527-K531 VanDerWaalsContact O-N 3.12Å; L528-K531 PolarHBondContact O-N 3.05Å; K531-E534 PolarHBondContact O-N 3.26Å; K531-G535 PolarHBondContact O-N 3.11Å |
| 532 | Y | 76.6 | Confident | 69 | Low | 132 Ų | 132 | 107 Ų | 107 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.1 | -44.9 | 175.5 | -163.9 | -93.6 | 0 | 0 | 0 | 112 | L528 Q529 Q530 G535 L536 | L528-Y532 PolarHBondContact O-N 3.42Å; Q529-Y532 PolarHBondContact O-N 3.17Å; Q530-Y532 VanDerWaalsContact C-N 3.32Å; Q530-Y532 PolarHBondContact O-N 2.74Å; Y532-G535 PolarHBondContact O-N 3.26Å; Y532-L536 PolarHBondContact O-N 2.94Å |
| 533 | E | 79.1 | Confident | 68.3 | Low | 116 Ų | 116 | 105.5 Ų | 105.5 | 54% | 0.542 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.9 | -36.8 | 173.9 | -77 | -175.2 | -178.6 | 0 | 0 | 112.3 | Q529 Q530 L536 K537 | Q529-E533 WeakPolarHBondContact O-CB 3.08Å; Q529-E533 WeakPolarHBondContact O-CG 3.33Å; Q529-E533 PolarHBondContact O-N 3.16Å; Q530-E533 PolarHBondContact O-N 3.17Å; E533-L536 PolarHBondContact O-N 3.5Å; E533-K537 VanDerWaalsContact O-CB 3.31Å; E533-K537 WeakPolarHBondContact O-CB 3.27Å; E533-K537 PolarHBondContact O-N 2.95Å |
| 534 | E | 75.4 | Confident | 68.5 | Low | 120 Ų | 120 | 109.8 Ų | 109.8 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.5 | -37 | 176 | -164.4 | 169.2 | -162.4 | 0 | 0 | 111.5 | Q530 K531 K537 Q538 | Q530-E534 VanDerWaalsContact O-CB 3.26Å; Q530-E534 WeakPolarHBondContact O-CB 3.42Å; Q530-E534 PolarHBondContact O-N 3.27Å; K531-E534 PolarHBondContact O-N 3.26Å; E534-K537 PolarHBondContact O-N 3.15Å; E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.49Å |
| 535 | G | 72.4 | Confident | 67.9 | Low | 20 Ų | 20 | 110.7 Ų | 110.7 | 21% | 0.206 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -62.9 | -43.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | K531 Y532 K537 Q538 L539 | K531-G535 PolarHBondContact O-N 3.11Å; Y532-G535 PolarHBondContact O-N 3.26Å; G535-K537 VanDerWaalsContact C-N 3.29Å; G535-K537 PolarHBondContact O-N 3.27Å; G535-Q538 PolarHBondContact O-N 3.15Å; G535-L539 PolarHBondContact O-N 3.13Å |
| 536 | L | 75.1 | Confident | 68.1 | Low | 98 Ų | 98 | 110.9 Ų | 110.9 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -32.8 | 176.1 | -155.9 | 78.6 | 0 | 0 | 0 | 112.3 | I511 Y532 E533 S540 | I511-L536 HydrophobicContact CD1-CD1 4.1Å; Y532-L536 PolarHBondContact O-N 2.94Å; E533-L536 PolarHBondContact O-N 3.5Å; L536-S540 PolarHBondContact O-N 2.88Å; L536-S540 PolarHBondContact O-OG 3Å |
| 537 | K | 69.7 | Low | 68 | Low | 140 Ų | 140 | 113.4 Ų | 113.4 | 61% | 0.609 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.7 | -22.2 | 178.6 | -145.3 | 170.2 | -165.5 | 165.6 | 0 | 113.6 | E533 E534 G535 S540 K541 | E533-K537 VanDerWaalsContact O-CB 3.31Å; E533-K537 WeakPolarHBondContact O-CB 3.27Å; E533-K537 PolarHBondContact O-N 2.95Å; E534-K537 PolarHBondContact O-N 3.15Å; G535-K537 VanDerWaalsContact C-N 3.29Å; G535-K537 PolarHBondContact O-N 3.27Å; K537-S540 WeakPolarHBondContact CA-OG 3.46Å; K537-S540 PolarHBondContact O-OG 3.42Å; K537-K541 WeakPolarHBondContact O-CG 3.48Å |
| 538 | Q | 64.2 | Low | 67.7 | Low | 136 Ų | 136 | 117.9 Ų | 117.9 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.3 | -37.2 | 172 | -76 | 180 | 13.6 | 0 | 0 | 111.4 | E534 G535 K541 | E534-Q538 WeakPolarHBondContact O-CG 3.48Å; E534-Q538 PolarHBondContact O-N 3.49Å; G535-Q538 PolarHBondContact O-N 3.15Å; Q538-K541 PolarHBondContact O-N 3.16Å |
| 539 | L | 59.5 | Low | 68.1 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.2 | -34.9 | 173.9 | -108.1 | 93.7 | 0 | 0 | 0 | 113.2 | G535 K541 | G535-L539 PolarHBondContact O-N 3.13Å; L539-K541 PolarHBondContact O-N 2.91Å |
| 540 | S | 59.7 | Low | 68.2 | Low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 2.4 | 178.2 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | L536 K537 | L536-S540 PolarHBondContact O-N 2.88Å; L536-S540 PolarHBondContact O-OG 3Å; K537-S540 WeakPolarHBondContact CA-OG 3.46Å; K537-S540 PolarHBondContact O-OG 3.42Å |
| 541 | K | 55.8 | Low | 68.3 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 9 | 176.3 | -83.8 | -177.5 | 177.1 | -179.7 | 0 | 114.3 | K537 Q538 L539 V543 | K537-K541 WeakPolarHBondContact O-CG 3.48Å; Q538-K541 PolarHBondContact O-N 3.16Å; L539-K541 PolarHBondContact O-N 2.91Å; K541-V543 VanDerWaalsContact C-N 3.27Å; K541-V543 PolarHBondContact O-N 3.03Å |
| 542 | E | 48.8 | Very low | 68.5 | Low | 154 Ų | 154 | 114.6 Ų | 114.6 | 72% | 0.72 | 59% | 0.59 | S | S | * | * | trans | -66.7 | 90.4 | 160.1 | -73.5 | -173.8 | 149.8 | 0 | 0 | 108.5 | ||||
| 543 | V | 47 | Very low | 68.9 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 164.1 | 66.7 | 136.5 | -166 | 0 | 0 | 0 | 0 | 107.3 | K541 | K541-V543 VanDerWaalsContact C-N 3.27Å; K541-V543 PolarHBondContact O-N 3.03Å |
| 544 | D | 60 | Low | 69.2 | Low | 135 Ų | 135 | 107.1 Ų | 107.1 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | trans | -159.3 | 60.1 | 162.4 | -96.8 | -25.8 | 0 | 0 | 0 | 111.4 | S546 | D544-S546 PolarHBondContact O-N 3.17Š| ||
| 545 | F | 59.2 | Low | 69.6 | Low | 160 Ų | 160 | 109.1 Ų | 109.1 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.3 | -9.5 | 174.3 | -75.5 | -83.1 | 0 | 0 | 0 | 113.6 | V549 | F545-V549 VanDerWaalsContact O-CG2 3.29Å; F545-V549 WeakPolarHBondContact O-CG2 3.27Å; F545-V549 PolarHBondContact O-N 3.44Å |
| 546 | S | 74.6 | Confident | 70 | Confident | 90 Ų | 90 | 113.9 Ų | 113.9 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -41.9 | -178.4 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | D544 A550 | D544-S546 PolarHBondContact O-N 3.17Å; S546-A550 WeakPolarHBondContact O-CB 3.28Å; S546-A550 PolarHBondContact O-N 3.08Å |
| 547 | D | 73.2 | Confident | 70.5 | Confident | 132 Ų | 132 | 116.5 Ų | 116.5 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.6 | -31.4 | -177 | -102.4 | 6.6 | 0 | 0 | 0 | 112.8 | A550 E551 | D547-A550 PolarHBondContact O-N 2.97Å; D547-E551 WeakPolarHBondContact O-CB 3.21Å; D547-E551 PolarHBondContact O-N 2.98Å |
| 548 | L | 69.8 | Low | 71.2 | Confident | 122 Ų | 122 | 114.1 Ų | 114.1 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.3 | -35.5 | 178.7 | -145.4 | 144.7 | 0 | 0 | 0 | 111.4 | H552 | L548-H552 WeakPolarHBondContact O-CB 3.34Å; L548-H552 PolarHBondContact O-N 3.05Å |
| 549 | V | 77.6 | Confident | 72.2 | Confident | 100 Ų | 100 | 117 Ų | 117 | 61% | 0.606 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67 | -40.7 | 169.9 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | F545 H552 A553 | F545-V549 VanDerWaalsContact O-CG2 3.29Å; F545-V549 WeakPolarHBondContact O-CG2 3.27Å; F545-V549 PolarHBondContact O-N 3.44Å; V549-H552 PolarHBondContact O-N 3.3Å; V549-A553 VanDerWaalsContact O-CB 3.27Å; V549-A553 WeakPolarHBondContact O-CB 3.49Å; V549-A553 PolarHBondContact O-N 2.96Å |
| 550 | A | 80.5 | Confident | 73.4 | Confident | 52 Ų | 52 | 114.4 Ų | 114.4 | 43% | 0.43 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S546 D547 A553 A554 | S546-A550 WeakPolarHBondContact O-CB 3.28Å; S546-A550 PolarHBondContact O-N 3.08Å; D547-A550 PolarHBondContact O-N 2.97Å; A550-A553 PolarHBondContact O-N 3.43Å; A550-A554 WeakPolarHBondContact O-CB 3.35Å; A550-A554 PolarHBondContact O-N 3.1Å |
| 551 | E | 79.4 | Confident | 74.5 | Confident | 99 Ų | 99 | 116.4 Ų | 116.4 | 46% | 0.463 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.1 | -40.8 | 176.3 | -160.9 | -168.6 | 162.1 | 0 | 0 | 111.5 | D547 A554 R555 | D547-E551 WeakPolarHBondContact O-CB 3.21Å; D547-E551 PolarHBondContact O-N 2.98Å; E551-A554 PolarHBondContact O-N 3.25Å; E551-R555 WeakPolarHBondContact O-CB 3.08Å; E551-R555 WeakPolarHBondContact O-CG 3.34Å; E551-R555 PolarHBondContact O-N 3.22Å; E551-R555 IonicContact OE1-CZ 3.72Å; E551-R555 IonicContact OE1-NE 3Å; E551-R555 PolarHBondContact OE1-NE 3.45Å; E551-R555 IonicContact OE1-NH2 3.89Å; E551-R555 PolarHBondContact OE1-NH2 2.83Å |
| 552 | H | 81.1 | Confident | 75.8 | Confident | 111 Ų | 111 | 113.9 Ų | 113.9 | 51% | 0.514 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66 | -41.4 | 176.6 | -168.7 | -101 | 0 | 0 | 0 | 111.8 | L548 V549 R555 Q556 | L548-H552 WeakPolarHBondContact O-CB 3.34Å; L548-H552 PolarHBondContact O-N 3.05Å; V549-H552 PolarHBondContact O-N 3.3Å; H552-R555 PolarHBondContact O-N 2.94Å; H552-Q556 PolarHBondContact CE1-NE2 3.1Å; H552-Q556 WeakPolarHBondContact O-CG 3.34Å; H552-Q556 PolarHBondContact O-N 3.18Å |
| 553 | A | 84.5 | Confident | 77.5 | Confident | 42 Ų | 42 | 109.8 Ų | 109.8 | 35% | 0.347 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.8 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V549 A550 Q556 K557 | V549-A553 VanDerWaalsContact O-CB 3.27Å; V549-A553 WeakPolarHBondContact O-CB 3.49Å; V549-A553 PolarHBondContact O-N 2.96Å; A550-A553 PolarHBondContact O-N 3.43Å; A553-Q556 PolarHBondContact O-N 2.72Å; A553-K557 WeakPolarHBondContact O-CG 3.1Å; A553-K557 PolarHBondContact O-N 3.13Å |
| 554 | A | 85.2 | Confident | 79.3 | Confident | 50 Ų | 50 | 106.9 Ų | 106.9 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A550 E551 Q556 K557 V558 | A550-A554 WeakPolarHBondContact O-CB 3.35Å; A550-A554 PolarHBondContact O-N 3.1Å; E551-A554 PolarHBondContact O-N 3.25Å; A554-Q556 PolarHBondContact O-N 3.29Å; A554-K557 PolarHBondContact O-N 3.44Å; A554-V558 WeakPolarHBondContact O-CG2 3.31Å; A554-V558 PolarHBondContact O-N 3.17Å |
| 555 | R | 84 | Confident | 80.4 | Confident | 162 Ų | 162 | 107.3 Ų | 107.3 | 61% | 0.611 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -38.9 | 175.6 | -75.4 | 178.8 | -178.5 | -160.3 | 3.5 | 112 | E551 H552 V558 R559 | E551-R555 WeakPolarHBondContact O-CB 3.08Å; E551-R555 WeakPolarHBondContact O-CG 3.34Å; E551-R555 PolarHBondContact O-N 3.22Å; E551-R555 IonicContact OE1-CZ 3.72Å; E551-R555 IonicContact OE1-NE 3Å; E551-R555 PolarHBondContact OE1-NE 3.45Å; E551-R555 IonicContact OE1-NH2 3.89Å; E551-R555 PolarHBondContact OE1-NH2 2.83Å; H552-R555 PolarHBondContact O-N 2.94Å; R555-V558 PolarHBondContact O-N 2.84Å; R555-R559 WeakPolarHBondContact O-CB 3.42Å; R555-R559 PolarHBondContact O-N 3.35Å |
| 556 | Q | 82.1 | Confident | 81.5 | Confident | 120 Ų | 120 | 104.9 Ų | 104.9 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 173.7 | -77.3 | -168.4 | -7.4 | 0 | 0 | 112.1 | H552 A553 A554 R559 A560 | H552-Q556 PolarHBondContact CE1-NE2 3.1Å; H552-Q556 WeakPolarHBondContact O-CG 3.34Å; H552-Q556 PolarHBondContact O-N 3.18Å; A553-Q556 PolarHBondContact O-N 2.72Å; A554-Q556 PolarHBondContact O-N 3.29Å; Q556-R559 PolarHBondContact O-N 3.17Å; Q556-A560 WeakPolarHBondContact O-CB 3.23Å; Q556-A560 PolarHBondContact O-N 2.81Å |
| 557 | K | 85.4 | Confident | 81.8 | Confident | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.665 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 175.2 | -76.8 | 179.3 | -179.2 | 177.1 | 0 | 112.2 | A553 A554 A560 Q561 | A553-K557 WeakPolarHBondContact O-CG 3.1Å; A553-K557 PolarHBondContact O-N 3.13Å; A554-K557 PolarHBondContact O-N 3.44Å; K557-A560 PolarHBondContact O-N 2.81Å; K557-Q561 WeakPolarHBondContact O-CB 3.44Å; K557-Q561 WeakPolarHBondContact O-CG 3.38Å; K557-Q561 PolarHBondContact O-N 3.32Å |
| 558 | V | 84.4 | Confident | 82.2 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 111 | A554 R555 Q561 L562 | A554-V558 WeakPolarHBondContact O-CG2 3.31Å; A554-V558 PolarHBondContact O-N 3.17Å; R555-V558 PolarHBondContact O-N 2.84Å; V558-Q561 PolarHBondContact O-N 2.87Å; V558-L562 WeakPolarHBondContact O-CB 3.44Å; V558-L562 PolarHBondContact O-N 3.18Å |
| 559 | R | 85.4 | Confident | 82.8 | Confident | 196 Ų | 196 | 100.2 Ų | 100.2 | 74% | 0.74 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 176.6 | -169 | 174.3 | -179.9 | 155 | -1.6 | 111.7 | R555 Q556 L562 V563 | R555-R559 WeakPolarHBondContact O-CB 3.42Å; R555-R559 PolarHBondContact O-N 3.35Å; Q556-R559 PolarHBondContact O-N 3.17Å; R559-L562 PolarHBondContact O-N 3Å; R559-V563 VanDerWaalsContact O-CG2 3.28Å; R559-V563 WeakPolarHBondContact O-CG2 3.41Å; R559-V563 PolarHBondContact O-N 2.8Å |
| 560 | A | 83.8 | Confident | 82.9 | Confident | 60 Ų | 60 | 104.4 Ų | 104.4 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q556 K557 V563 S564 | Q556-A560 WeakPolarHBondContact O-CB 3.23Å; Q556-A560 PolarHBondContact O-N 2.81Å; K557-A560 PolarHBondContact O-N 2.81Å; A560-V563 PolarHBondContact O-N 3.28Å; A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.4Å; A560-S564 PolarHBondContact O-OG 3.35Å |
| 561 | Q | 83.5 | Confident | 82.8 | Confident | 135 Ų | 135 | 110.6 Ų | 110.6 | 63% | 0.631 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -37.9 | 173.6 | -75.9 | 179.8 | -18.5 | 0 | 0 | 112.5 | K557 V558 S564 F565 | K557-Q561 WeakPolarHBondContact O-CB 3.44Å; K557-Q561 WeakPolarHBondContact O-CG 3.38Å; K557-Q561 PolarHBondContact O-N 3.32Å; V558-Q561 PolarHBondContact O-N 2.87Å; Q561-S564 PolarHBondContact O-N 2.93Å; Q561-S564 PolarHBondContact O-OG 3.39Å; Q561-F565 WeakPolarHBondContact O-CB 3.41Å; Q561-F565 PolarHBondContact O-N 3.1Å |
| 562 | L | 83.1 | Confident | 82.7 | Confident | 105 Ų | 105 | 114.7 Ų | 114.7 | 55% | 0.55 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.3 | -37.7 | 179 | -152.8 | 125.8 | 0 | 0 | 0 | 111.8 | V558 R559 Q566 | V558-L562 WeakPolarHBondContact O-CB 3.44Å; V558-L562 PolarHBondContact O-N 3.18Å; R559-L562 PolarHBondContact O-N 3Å; L562-Q566 PolarHBondContact O-N 3.4Å |
| 563 | V | 84.3 | Confident | 82.5 | Confident | 69 Ų | 69 | 116.1 Ų | 116.1 | 42% | 0.418 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.4 | -42.3 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | R559 A560 F565 Q566 N567 | R559-V563 VanDerWaalsContact O-CG2 3.28Å; R559-V563 WeakPolarHBondContact O-CG2 3.41Å; R559-V563 PolarHBondContact O-N 2.8Å; A560-V563 PolarHBondContact O-N 3.28Å; V563-F565 VanDerWaalsContact C-N 3.34Å; V563-F565 PolarHBondContact O-N 3.08Å; V563-Q566 PolarHBondContact O-N 3.42Å; V563-N567 WeakPolarHBondContact O-CB 3.45Å; V563-N567 PolarHBondContact O-N 3.05Å |
| 564 | S | 83.4 | Confident | 82.1 | Confident | 63 Ų | 63 | 116.4 Ų | 116.4 | 44% | 0.441 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66 | -37.1 | 176.7 | 72.3 | 0 | 0 | 0 | 0 | 112 | A560 Q561 N567 N568 | A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.4Å; A560-S564 PolarHBondContact O-OG 3.35Å; Q561-S564 PolarHBondContact O-N 2.93Å; Q561-S564 PolarHBondContact O-OG 3.39Å; S564-N567 PolarHBondContact O-N 3.43Å; S564-N568 WeakPolarHBondContact O-CB 3.03Å; S564-N568 PolarHBondContact O-N 3.38Å |
| 565 | F | 83.8 | Confident | 81.6 | Confident | 143 Ų | 143 | 120.3 Ų | 120.3 | 63% | 0.627 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -42.7 | 173.5 | -171 | -95.4 | 0 | 0 | 0 | 112.4 | Q561 V563 N568 T569 | Q561-F565 WeakPolarHBondContact O-CB 3.41Å; Q561-F565 PolarHBondContact O-N 3.1Å; V563-F565 VanDerWaalsContact C-N 3.34Å; V563-F565 PolarHBondContact O-N 3.08Å; F565-N568 PolarHBondContact O-N 3Å; F565-T569 HydrophobicContact CD1-CG2 4.46Å; F565-T569 HydrophobicContact CE1-CG2 4.03Å; F565-T569 HydrophobicContact CZ-CG2 4.23Å; F565-T569 PolarHBondContact O-N 2.64Å; F565-T569 PolarHBondContact O-OG1 3.39Å |
| 566 | Q | 81.6 | Confident | 81.1 | Confident | 110 Ų | 110 | 119.1 Ų | 119.1 | 51% | 0.514 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.4 | -39.1 | 174 | -82.6 | -171.5 | -4.4 | 0 | 0 | 112.6 | L562 V563 T569 R570 | L562-Q566 PolarHBondContact O-N 3.4Å; V563-Q566 PolarHBondContact O-N 3.42Å; Q566-T569 WeakPolarHBondContact CA-OG1 3.17Å; Q566-T569 PolarHBondContact O-OG1 3.09Å; Q566-R570 WeakPolarHBondContact O-CB 3.07Å; Q566-R570 PolarHBondContact O-N 2.84Å |
| 567 | N | 82.7 | Confident | 80.4 | Confident | 85 Ų | 85 | 120 Ų | 120 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70 | -39.1 | 177.8 | -76.9 | -18.4 | 0 | 0 | 0 | 112.2 | V563 S564 R570 R571 | V563-N567 WeakPolarHBondContact O-CB 3.45Å; V563-N567 PolarHBondContact O-N 3.05Å; S564-N567 PolarHBondContact O-N 3.43Å; N567-R570 PolarHBondContact O-N 2.86Å; N567-R571 WeakPolarHBondContact O-CB 3.36Å; N567-R571 PolarHBondContact O-N 2.93Å |
| 568 | N | 81.8 | Confident | 79.4 | Confident | 102 Ų | 102 | 120.4 Ų | 120.4 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -38.6 | 174.8 | -92.3 | -13.1 | 0 | 0 | 0 | 112.6 | S564 F565 R571 R572 | S564-N568 WeakPolarHBondContact O-CB 3.03Å; S564-N568 PolarHBondContact O-N 3.38Å; F565-N568 PolarHBondContact O-N 3Å; N568-R571 PolarHBondContact O-N 2.78Å; N568-R572 WeakPolarHBondContact O-CB 3.11Å; N568-R572 PolarHBondContact O-N 3.18Å |
| 569 | T | 81.1 | Confident | 78.4 | Confident | 59 Ų | 59 | 124.5 Ų | 124.5 | 36% | 0.362 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.6 | -37.9 | 174.5 | 39.4 | 0 | 0 | 0 | 0 | 112.2 | F565 Q566 K573 | F565-T569 HydrophobicContact CD1-CG2 4.46Å; F565-T569 HydrophobicContact CE1-CG2 4.03Å; F565-T569 HydrophobicContact CZ-CG2 4.23Å; F565-T569 PolarHBondContact O-N 2.64Å; F565-T569 PolarHBondContact O-OG1 3.39Å; Q566-T569 WeakPolarHBondContact CA-OG1 3.17Å; Q566-T569 PolarHBondContact O-OG1 3.09Å; T569-K573 PolarHBondContact O-N 2.62Å; T569-K573 VanDerWaalsContact O-N 3.07Å |
| 570 | R | 79.5 | Confident | 77.1 | Confident | 188 Ų | 188 | 119.5 Ų | 119.5 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.3 | -42.6 | 170.6 | -82.4 | -177.8 | 167.9 | 177.4 | -3.3 | 112.6 | Q566 N567 K573 A574 | Q566-R570 WeakPolarHBondContact O-CB 3.07Å; Q566-R570 PolarHBondContact O-N 2.84Å; N567-R570 PolarHBondContact O-N 2.86Å; R570-K573 PolarHBondContact O-N 2.82Å; R570-A574 WeakPolarHBondContact O-CB 3.07Å; R570-A574 PolarHBondContact O-N 3.24Å |
| 571 | R | 79.3 | Confident | 75.8 | Confident | 181 Ų | 181 | 121.1 Ų | 121.1 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -41.4 | 176.3 | -87.7 | -174.1 | 160.6 | -178.5 | -4.6 | 112.5 | N567 N568 A574 Q575 | N567-R571 WeakPolarHBondContact O-CB 3.36Å; N567-R571 PolarHBondContact O-N 2.93Å; N568-R571 PolarHBondContact O-N 2.78Å; R571-A574 PolarHBondContact O-N 2.79Å; R571-Q575 WeakPolarHBondContact O-CB 3.44Å; R571-Q575 WeakPolarHBondContact O-CG 3.4Å; R571-Q575 PolarHBondContact O-N 3.1Å |
| 572 | R | 77.2 | Confident | 74.5 | Confident | 185 Ų | 185 | 119.4 Ų | 119.4 | 70% | 0.698 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.9 | -46.5 | 174.8 | -82.1 | -174.7 | 166 | 169.9 | -3.9 | 111.8 | N568 A574 Q575 E576 | N568-R572 WeakPolarHBondContact O-CB 3.11Å; N568-R572 PolarHBondContact O-N 3.18Å; R572-A574 PolarHBondContact O-N 2.88Å; R572-Q575 PolarHBondContact O-N 3.36Å; R572-E576 PolarHBondContact O-N 3.07Å |
| 573 | K | 76.7 | Confident | 72.8 | Confident | 142 Ų | 142 | 117.9 Ų | 117.9 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.2 | -42.4 | 174.7 | -76.7 | -172.2 | 174 | -171.1 | 0 | 112.8 | T569 R570 Q575 E576 E577 | T569-K573 PolarHBondContact O-N 2.62Å; T569-K573 VanDerWaalsContact O-N 3.07Å; R570-K573 PolarHBondContact O-N 2.82Å; K573-Q575 VanDerWaalsContact C-N 3.32Å; K573-Q575 PolarHBondContact O-N 3.44Å; K573-E576 PolarHBondContact O-N 3.15Å; K573-E577 WeakPolarHBondContact O-CB 3.34Å; K573-E577 PolarHBondContact O-N 2.84Å |
| 574 | A | 75.6 | Confident | 70.9 | Confident | 47 Ų | 47 | 119.2 Ų | 119.2 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.4 | -29.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R570 R571 R572 K578 | R570-A574 WeakPolarHBondContact O-CB 3.07Å; R570-A574 PolarHBondContact O-N 3.24Å; R571-A574 PolarHBondContact O-N 2.79Å; R572-A574 PolarHBondContact O-N 2.88Å; A574-K578 WeakPolarHBondContact O-CB 3.46Å; A574-K578 WeakPolarHBondContact O-CG 3.48Å; A574-K578 PolarHBondContact O-N 3.04Å; A574-K578 VanDerWaalsContact O-N 3.12Å |
| 575 | Q | 75 | Confident | 69.1 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 62% | 0.621 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.3 | -34.9 | 173.9 | -79.1 | -177.1 | -26.8 | 0 | 0 | 112.5 | R571 R572 K573 K578 K579 | R571-Q575 WeakPolarHBondContact O-CB 3.44Å; R571-Q575 WeakPolarHBondContact O-CG 3.4Å; R571-Q575 PolarHBondContact O-N 3.1Å; R572-Q575 PolarHBondContact O-N 3.36Å; K573-Q575 VanDerWaalsContact C-N 3.32Å; K573-Q575 PolarHBondContact O-N 3.44Å; Q575-K578 PolarHBondContact O-N 2.74Å; Q575-K579 WeakPolarHBondContact O-CB 3.28Å; Q575-K579 WeakPolarHBondContact O-CG 3.49Å; Q575-K579 PolarHBondContact O-N 3.06Å |
| 576 | E | 72.6 | Confident | 67.4 | Low | 137 Ų | 137 | 128 Ų | 128 | 64% | 0.64 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 172.4 | -79 | 173.5 | 167.7 | 0 | 0 | 111.6 | R572 K573 K579 S580 | R572-E576 PolarHBondContact O-N 3.07Å; K573-E576 PolarHBondContact O-N 3.15Å; E576-K579 PolarHBondContact O-N 2.74Å; E576-S580 PolarHBondContact O-N 2.8Å; E576-S580 PolarHBondContact O-OG 3.2Å |
| 577 | E | 67.4 | Low | 65.8 | Low | 137 Ų | 137 | 132.3 Ų | 132.3 | 64% | 0.64 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.3 | -33.7 | 174.6 | -76.5 | 177.5 | 173 | 0 | 0 | 112.8 | K573 S580 S581 | K573-E577 WeakPolarHBondContact O-CB 3.34Å; K573-E577 PolarHBondContact O-N 2.84Å; E577-S580 PolarHBondContact O-OG 2.95Å; E577-S581 WeakPolarHBondContact O-CB 3.22Å; E577-S581 PolarHBondContact O-N 3.11Å |
| 578 | K | 65.5 | Low | 64.3 | Low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.3 | -29.4 | 173.6 | -78.7 | -175.5 | 177.3 | -172.9 | 0 | 113.4 | A574 Q575 S582 | A574-K578 WeakPolarHBondContact O-CB 3.46Å; A574-K578 WeakPolarHBondContact O-CG 3.48Å; A574-K578 PolarHBondContact O-N 3.04Å; A574-K578 VanDerWaalsContact O-N 3.12Å; Q575-K578 PolarHBondContact O-N 2.74Å; K578-S582 PolarHBondContact O-OG 2.86Å |
| 579 | K | 62.4 | Low | 62.8 | Low | 175 Ų | 175 | 139.5 Ų | 139.5 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -76.4 | -30.9 | 173.7 | -80.8 | -175.4 | 174.9 | -175.3 | 0 | 112.7 | Q575 E576 | Q575-K579 WeakPolarHBondContact O-CB 3.28Å; Q575-K579 WeakPolarHBondContact O-CG 3.49Å; Q575-K579 PolarHBondContact O-N 3.06Å; E576-K579 PolarHBondContact O-N 2.74Å |
| 580 | S | 59.6 | Low | 61.1 | Low | 91 Ų | 91 | 145.5 Ų | 145.5 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -80.1 | -26 | 174.3 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | E576 E577 | E576-S580 PolarHBondContact O-N 2.8Å; E576-S580 PolarHBondContact O-OG 3.2Å; E577-S580 PolarHBondContact O-OG 2.95Å |
| 581 | S | 56.8 | Low | 59.9 | Low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -12.5 | 179.9 | 172.6 | 0 | 0 | 0 | 0 | 115.4 | E577 | E577-S581 WeakPolarHBondContact O-CB 3.22Å; E577-S581 PolarHBondContact O-N 3.11Å |
| 582 | S | 54.5 | Low | 58.2 | Low | 99 Ų | 99 | 150.3 Ų | 150.3 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 4 | -175.3 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | K578 | K578-S582 PolarHBondContact O-OG 2.86Š|
| 583 | G | 47.7 | Very low | 57.3 | Low | 72 Ų | 72 | 148.6 Ų | 148.6 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -99.2 | -1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 584 | S | 45 | Very low | 56.2 | Low | 98 Ų | 98 | 148.9 Ų | 148.9 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -122.4 | 65.7 | -170.9 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 585 | K | 45.2 | Very low | 55.2 | Low | 202 Ų | 202 | 154.6 Ų | 154.6 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | -164 | 91.8 | 160.3 | -110.5 | 166.6 | -173.4 | 172.3 | 0 | 109.8 | ||||
| 586 | K | 48.6 | Very low | 54 | Low | 187 Ų | 187 | 155.8 Ų | 155.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 164.7 | 141.9 | 136.6 | -90.8 | 178.1 | -174.9 | -175.6 | 0 | 111.3 | ||||
| 587 | Y | 48 | Very low | 52.9 | Low | 202 Ų | 202 | 157 Ų | 157 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | 90 | 91.4 | 168.2 | -66.5 | -77 | 0 | 0 | 0 | 118.6 | ||||
| 588 | K | 51.6 | Low | 51.9 | Low | 206 Ų | 206 | 158.3 Ų | 158.3 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -96.5 | 104 | 138.6 | -138.4 | 178.3 | -172.4 | -179.6 | 0 | 105.2 | ||||
| 589 | D | 50.3 | Low | 50.9 | Low | 131 Ų | 131 | 158.1 Ų | 158.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -161.5 | 129.1 | 153.2 | -105.4 | -26.7 | 0 | 0 | 0 | 109.4 | ||||
| 590 | F | 43.7 | Very low | 50 | Low | 185 Ų | 185 | 156.8 Ų | 156.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 73.1 | 114.2 | 165.2 | -82.1 | -92.1 | 0 | 0 | 0 | 123.2 | ||
| 591 | K | 54.3 | Low | 49.2 | Very low | 187 Ų | 187 | 162.3 Ų | 162.3 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | 73 | 107.4 | 137.7 | -128.1 | 173.1 | -176 | 175.9 | 0 | 118.7 | ||||
| 592 | F | 45 | Very low | 48.5 | Very low | 283 Ų | 283 | 168.4 Ų | 168.4 | 100% | 1.241 | 82% | 0.824 | S | S | * | * | trans | 66.4 | 0 | 179.7 | -80.8 | -75.5 | 0 | 0 | 0 | 117.5 |
Retrieved 592 of 592 residues in 198 ms
(Link to these results)