| 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 | 53 | Low | 69.5 | Low | 224 Ų | 224 | 124.6 Ų | 124.6 | 100% | 1.103 | 63% | 0.625 | S | S | * | * | 0 | 61.6 | 0 | -76.1 | -79.7 | -154.2 | 0 | 0 | 110.6 | |||||
| 2 | S | 59.6 | Low | 70.7 | Confident | 83 Ų | 83 | 117.5 Ų | 117.5 | 58% | 0.58 | 59% | 0.588 | S | S | * | * | trans | -147.7 | -19.4 | -168.5 | -61.2 | 0 | 0 | 0 | 0 | 119.4 | V4 Q6 | S2-V4 VanDerWaalsContact C-N 3.32Å; S2-V4 PolarHBondContact O-N 3.38Å; S2-Q6 WeakPolarHBondContact O-CB 3.37Å; S2-Q6 PolarHBondContact O-N 3.12Å; S2-Q6 VanDerWaalsContact O-N 3.12Å | ||
| 3 | R | 63.8 | Low | 72 | Confident | 216 Ų | 216 | 114.5 Ų | 114.5 | 82% | 0.815 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.9 | -29 | -178.2 | -73.2 | -175.5 | -174.8 | 169.1 | 1.3 | 114 | K7 | R3-K7 WeakPolarHBondContact O-CG 3.44Å; R3-K7 PolarHBondContact O-N 2.96Å |
| 4 | V | 62.4 | Low | 73.2 | Confident | 105 Ų | 105 | 113.9 Ų | 113.9 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.2 | -50.8 | 179.8 | 180 | 0 | 0 | 0 | 0 | 109.7 | S2 Q6 K7 D8 | S2-V4 VanDerWaalsContact C-N 3.32Å; S2-V4 PolarHBondContact O-N 3.38Å; V4-Q6 VanDerWaalsContact C-N 3.27Å; V4-Q6 PolarHBondContact O-N 3.31Å; V4-K7 PolarHBondContact O-N 3.03Å; V4-K7 VanDerWaalsContact O-N 3.12Å; V4-D8 PolarHBondContact O-N 3.43Å |
| 5 | L | 64.5 | Low | 74.2 | Confident | 120 Ų | 120 | 107.7 Ų | 107.7 | 63% | 0.628 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.9 | -35.5 | 178.1 | -61.9 | 174.1 | 0 | 0 | 0 | 113.1 | D8 A9 | L5-D8 PolarHBondContact O-N 2.92Å; L5-A9 PolarHBondContact O-N 3.37Å; L5-A9 VanDerWaalsContact O-N 3.07Å |
| 6 | Q | 69.2 | Low | 75.2 | Confident | 119 Ų | 119 | 104.1 Ų | 104.1 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.7 | -39.2 | 177.3 | -168.7 | 172.2 | 3.1 | 0 | 0 | 112.3 | S2 V4 A9 E10 | S2-Q6 WeakPolarHBondContact O-CB 3.37Å; S2-Q6 PolarHBondContact O-N 3.12Å; S2-Q6 VanDerWaalsContact O-N 3.12Å; V4-Q6 VanDerWaalsContact C-N 3.27Å; V4-Q6 PolarHBondContact O-N 3.31Å; Q6-A9 PolarHBondContact O-N 3.44Å; Q6-E10 WeakPolarHBondContact O-CG 3.35Å; Q6-E10 PolarHBondContact O-N 3.5Å |
| 7 | K | 71 | Confident | 76.1 | Confident | 145 Ų | 145 | 100.1 Ų | 100.1 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -39.1 | 174.3 | -75.2 | -179.7 | 175.8 | -169.6 | 0 | 112 | R3 V4 A9 E10 Q11 | R3-K7 WeakPolarHBondContact O-CG 3.44Å; R3-K7 PolarHBondContact O-N 2.96Å; V4-K7 PolarHBondContact O-N 3.03Å; V4-K7 VanDerWaalsContact O-N 3.12Å; K7-A9 VanDerWaalsContact C-N 3.32Å; K7-A9 PolarHBondContact O-N 3.07Å; K7-E10 PolarHBondContact O-N 3.12Å; K7-Q11 WeakPolarHBondContact O-CB 3.37Å; K7-Q11 PolarHBondContact O-N 3.47Å |
| 8 | D | 74.3 | Confident | 77 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176.6 | -64.4 | -27.5 | 0 | 0 | 0 | 110.9 | V4 L5 Q11 E12 | V4-D8 PolarHBondContact O-N 3.43Å; L5-D8 PolarHBondContact O-N 2.92Å; D8-Q11 PolarHBondContact O-N 3.03Å; D8-E12 WeakPolarHBondContact O-CB 3.42Å; D8-E12 PolarHBondContact O-N 3.29Å |
| 9 | A | 77.4 | Confident | 77.8 | Confident | 55 Ų | 55 | 93.9 Ų | 93.9 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L5 Q6 K7 E12 S13 | L5-A9 PolarHBondContact O-N 3.37Å; L5-A9 VanDerWaalsContact O-N 3.07Å; Q6-A9 PolarHBondContact O-N 3.44Å; K7-A9 VanDerWaalsContact C-N 3.32Å; K7-A9 PolarHBondContact O-N 3.07Å; A9-E12 PolarHBondContact O-N 2.96Å; A9-S13 WeakPolarHBondContact O-CB 3.46Å; A9-S13 PolarHBondContact O-N 3Å |
| 10 | E | 83.8 | Confident | 78.5 | Confident | 118 Ų | 118 | 95.2 Ų | 95.2 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 174.8 | -75.4 | 170.6 | -170.4 | 0 | 0 | 111.4 | Q6 K7 S13 Q14 | Q6-E10 WeakPolarHBondContact O-CG 3.35Å; Q6-E10 PolarHBondContact O-N 3.5Å; K7-E10 PolarHBondContact O-N 3.12Å; E10-S13 PolarHBondContact O-N 3.42Å; E10-Q14 WeakPolarHBondContact O-CB 3.46Å; E10-Q14 PolarHBondContact O-N 3.26Å |
| 11 | Q | 85.1 | Confident | 79.3 | Confident | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 176.2 | -174.2 | 177.6 | -29.6 | 0 | 0 | 111.6 | K7 D8 Q14 M15 | K7-Q11 WeakPolarHBondContact O-CB 3.37Å; K7-Q11 PolarHBondContact O-N 3.47Å; D8-Q11 PolarHBondContact O-N 3.03Å; Q11-Q14 PolarHBondContact O-N 3.01Å; Q11-M15 HydrophobicContact CG-SD 4.27Å; Q11-M15 WeakPolarHBondContact O-CB 3.49Å; Q11-M15 VanDerWaalsContact O-CG 3.26Å; Q11-M15 WeakPolarHBondContact O-CG 3.45Å; Q11-M15 PolarHBondContact O-N 2.9Å |
| 12 | E | 84.7 | Confident | 81.3 | Confident | 39 Ų | 39 | 86 Ų | 86 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 174.2 | -166.5 | -166.5 | 137.9 | 0 | 0 | 111.3 | D8 A9 Q14 M15 R16 L52 T57 | D8-E12 WeakPolarHBondContact O-CB 3.42Å; D8-E12 PolarHBondContact O-N 3.29Å; A9-E12 PolarHBondContact O-N 2.96Å; E12-Q14 VanDerWaalsContact C-N 3.33Å; E12-Q14 PolarHBondContact O-N 3.28Å; E12-M15 PolarHBondContact O-N 2.6Å; E12-R16 VanDerWaalsContact O-CG 3.3Å; E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.24Å; E12-R16 IonicContact OE1-CZ 3.12Å; E12-R16 IonicContact OE1-NE 2.86Å; E12-R16 PolarHBondContact OE1-NE 3.08Å; E12-R16 IonicContact OE1-NH2 2.65Å; E12-R16 PolarHBondContact OE1-NH2 2.65Å; E12-L52 HydrophobicContact CG-CD2 3.71Å; E12-T57 VanDerWaalsContact CD-OG1 3.3Å; E12-T57 WeakPolarHBondContact OE2-CB 3.28Å; E12-T57 PolarHBondContact OE2-OG1 3.35Å |
| 13 | S | 86.9 | Confident | 82.9 | Confident | 78 Ų | 78 | 85.1 Ų | 85.1 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | A9 E10 R16 A17 | A9-S13 WeakPolarHBondContact O-CB 3.46Å; A9-S13 PolarHBondContact O-N 3Å; E10-S13 PolarHBondContact O-N 3.42Å; S13-R16 PolarHBondContact O-N 3.44Å; S13-A17 PolarHBondContact O-N 3.39Å |
| 14 | Q | 88.8 | Confident | 84.3 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 177.3 | -178.2 | 58.3 | 35.3 | 0 | 0 | 111.4 | E10 Q11 E12 R16 A17 E18 | E10-Q14 WeakPolarHBondContact O-CB 3.46Å; E10-Q14 PolarHBondContact O-N 3.26Å; Q11-Q14 PolarHBondContact O-N 3.01Å; E12-Q14 VanDerWaalsContact C-N 3.33Å; E12-Q14 PolarHBondContact O-N 3.28Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 2.96Å; Q14-A17 PolarHBondContact O-N 2.95Å; Q14-E18 PolarHBondContact NE2-OE1 2.92Å; Q14-E18 VanDerWaalsContact NE2-OE1 3.08Å; Q14-E18 WeakPolarHBondContact O-CG 3.26Å; Q14-E18 PolarHBondContact O-N 3.39Å |
| 15 | M | 89 | Confident | 85.9 | Confident | 21 Ų | 21 | 79.5 Ų | 79.5 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 177.4 | -72.8 | 176.8 | 68.5 | 0 | 0 | 112.5 | Q11 E12 I19 M48 K51 L52 | Q11-M15 HydrophobicContact CG-SD 4.27Å; Q11-M15 WeakPolarHBondContact O-CB 3.49Å; Q11-M15 VanDerWaalsContact O-CG 3.26Å; Q11-M15 WeakPolarHBondContact O-CG 3.45Å; Q11-M15 PolarHBondContact O-N 2.9Å; E12-M15 PolarHBondContact O-N 2.6Å; M15-I19 WeakPolarHBondContact O-CD1 3.3Å; M15-I19 VanDerWaalsContact O-CG1 3.29Å; M15-I19 WeakPolarHBondContact O-CG1 3.5Å; M15-I19 PolarHBondContact O-N 3.06Å; M15-I19 VanDerWaalsContact O-N 3.14Å; M15-M48 HydrophobicContact CE-CE 4.35Å; M15-M48 HydrophobicContact CG-CE 4.21Å; M15-K51 HydrophobicContact CE-CB 3.62Å; M15-K51 HydrophobicContact CE-CD 4.28Å; M15-L52 HydrophobicContact CB-CD1 4.35Å; M15-L52 HydrophobicContact CB-CD2 3.8Å; M15-L52 HydrophobicContact CB-CG 4.18Å; M15-L52 HydrophobicContact CE-CD2 3.96Å; M15-L52 HydrophobicContact CE-CG 3.98Å; M15-L52 HydrophobicContact SD-CD2 4.1Å |
| 16 | R | 88.9 | Confident | 87.3 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 174.6 | -72.3 | 173.9 | -177.4 | -73.8 | 18.1 | 112 | E12 S13 Q14 I19 Q20 L52 | E12-R16 VanDerWaalsContact O-CG 3.3Å; E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.24Å; E12-R16 IonicContact OE1-CZ 3.12Å; E12-R16 IonicContact OE1-NE 2.86Å; E12-R16 PolarHBondContact OE1-NE 3.08Å; E12-R16 IonicContact OE1-NH2 2.65Å; E12-R16 PolarHBondContact OE1-NH2 2.65Å; S13-R16 PolarHBondContact O-N 3.44Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 2.96Å; R16-I19 PolarHBondContact O-N 3.06Å; R16-Q20 PolarHBondContact O-N 3.29Å; R16-L52 HydrophobicContact CG-CD1 3.78Å |
| 17 | A | 91.1 | Very high | 88.5 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | S13 Q14 I19 Q20 D21 | S13-A17 PolarHBondContact O-N 3.39Å; Q14-A17 PolarHBondContact O-N 2.95Å; A17-I19 VanDerWaalsContact C-N 3.3Å; A17-I19 PolarHBondContact O-N 3.28Å; A17-Q20 WeakPolarHBondContact O-CB 3.29Å; A17-Q20 PolarHBondContact O-N 3.14Å; A17-D21 PolarHBondContact O-N 3.5Å |
| 18 | E | 92.8 | Very high | 89.6 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | 177.7 | -72.8 | 175 | -159.7 | 0 | 0 | 113 | Q14 M22 M48 | Q14-E18 PolarHBondContact NE2-OE1 2.92Å; Q14-E18 VanDerWaalsContact NE2-OE1 3.08Å; Q14-E18 WeakPolarHBondContact O-CG 3.26Å; Q14-E18 PolarHBondContact O-N 3.39Å; E18-M22 WeakPolarHBondContact O-CB 3.46Å; E18-M22 WeakPolarHBondContact O-CE 3.28Å; E18-M22 VanDerWaalsContact O-CG 3.28Å; E18-M22 WeakPolarHBondContact O-CG 3.36Å; E18-M22 PolarHBondContact O-N 2.86Å; E18-M48 VanDerWaalsContact OE2-CE 3.31Å; E18-M48 WeakPolarHBondContact OE2-CE 3.43Å |
| 19 | I | 91.9 | Very high | 90.5 | Very high | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.2 | -72.7 | 163.8 | 0 | 0 | 0 | 111 | M15 R16 A17 M22 K23 I45 M48 L52 | M15-I19 WeakPolarHBondContact O-CD1 3.3Å; M15-I19 VanDerWaalsContact O-CG1 3.29Å; M15-I19 WeakPolarHBondContact O-CG1 3.5Å; M15-I19 PolarHBondContact O-N 3.06Å; M15-I19 VanDerWaalsContact O-N 3.14Å; R16-I19 PolarHBondContact O-N 3.06Å; A17-I19 VanDerWaalsContact C-N 3.3Å; A17-I19 PolarHBondContact O-N 3.28Å; I19-M22 HydrophobicContact CG1-CE 4.24Å; I19-M22 PolarHBondContact O-N 3.49Å; I19-K23 HydrophobicContact CG2-CD 4.35Å; I19-K23 HydrophobicContact CG2-CG 4.5Å; I19-K23 WeakPolarHBondContact O-CB 3.31Å; I19-K23 WeakPolarHBondContact O-CG 3.49Å; I19-K23 PolarHBondContact O-N 3.18Å; I19-I45 HydrophobicContact CG2-CG2 4.34Å; I19-M48 HydrophobicContact CD1-CB 3.99Å; I19-M48 HydrophobicContact CG1-CB 3.8Å; I19-L52 HydrophobicContact CD1-CD1 3.44Å; I19-L52 VanDerWaalsContact CD1-CD1 3.44Å; I19-L52 HydrophobicContact CD1-CG 4.29Å |
| 20 | Q | 92.1 | Very high | 91.3 | Very high | 119 Ų | 119 | 68.4 Ų | 68.4 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 177.2 | -73 | -172.2 | -50.1 | 0 | 0 | 111.5 | R16 A17 M22 K23 Q24 | R16-Q20 PolarHBondContact O-N 3.29Å; A17-Q20 WeakPolarHBondContact O-CB 3.29Å; A17-Q20 PolarHBondContact O-N 3.14Å; Q20-M22 PolarHBondContact O-N 3.01Å; Q20-K23 PolarHBondContact O-N 3.45Å; Q20-Q24 PolarHBondContact O-N 3.28Å |
| 21 | D | 94.7 | Very high | 91.5 | Very high | 112 Ų | 112 | 67 Ų | 67 | 60% | 0.599 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 177 | -68 | -19.5 | 0 | 0 | 0 | 111.4 | A17 K23 Q24 E25 | A17-D21 PolarHBondContact O-N 3.5Å; D21-K23 VanDerWaalsContact C-N 3.33Å; D21-K23 PolarHBondContact O-N 3.49Å; D21-Q24 PolarHBondContact O-N 2.89Å; D21-E25 PolarHBondContact O-N 2.89Å |
| 22 | M | 95.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.069 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 177.2 | -71.7 | -175 | -65.1 | 0 | 0 | 112.7 | E18 I19 Q20 E25 L26 K44 I45 M48 | E18-M22 WeakPolarHBondContact O-CB 3.46Å; E18-M22 WeakPolarHBondContact O-CE 3.28Å; E18-M22 VanDerWaalsContact O-CG 3.28Å; E18-M22 WeakPolarHBondContact O-CG 3.36Å; E18-M22 PolarHBondContact O-N 2.86Å; I19-M22 HydrophobicContact CG1-CE 4.24Å; I19-M22 PolarHBondContact O-N 3.49Å; Q20-M22 PolarHBondContact O-N 3.01Å; M22-E25 PolarHBondContact O-N 3.24Å; M22-L26 WeakPolarHBondContact O-CB 3.47Å; M22-L26 PolarHBondContact O-N 3.27Å; M22-K44 HydrophobicContact SD-CB 4.28Å; M22-K44 HydrophobicContact SD-CD 3.5Å; M22-K44 VanDerWaalsContact SD-CD 3.5Å; M22-K44 VanDerWaalsContact SD-CE 3.56Å; M22-K44 HydrophobicContact SD-CG 3.68Å; M22-I45 HydrophobicContact CB-CD1 4.03Å; M22-I45 HydrophobicContact CB-CG1 3.64Å; M22-I45 HydrophobicContact CE-CG1 4.33Å; M22-M48 HydrophobicContact CE-CB 4.3Å; M22-M48 HydrophobicContact CE-CG 4.05Å |
| 23 | K | 93 | Very high | 92.2 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 173.7 | -79.1 | -175.1 | 172.7 | -159.6 | 0 | 111.4 | I19 Q20 D21 E25 L26 S27 I45 E67 | I19-K23 HydrophobicContact CG2-CD 4.35Å; I19-K23 HydrophobicContact CG2-CG 4.5Å; I19-K23 WeakPolarHBondContact O-CB 3.31Å; I19-K23 WeakPolarHBondContact O-CG 3.49Å; I19-K23 PolarHBondContact O-N 3.18Å; Q20-K23 PolarHBondContact O-N 3.45Å; D21-K23 VanDerWaalsContact C-N 3.33Å; D21-K23 PolarHBondContact O-N 3.49Å; K23-E25 VanDerWaalsContact C-N 3.3Å; K23-L26 PolarHBondContact O-N 3.48Å; K23-S27 PolarHBondContact O-N 3Å; K23-I45 HydrophobicContact CG-CD1 4.02Å; K23-I45 HydrophobicContact CG-CG2 4.28Å; K23-E67 IonicContact NZ-OE1 3.73Å; K23-E67 PolarHBondContact NZ-OE1 3.3Å; K23-E67 IonicContact NZ-OE2 3.58Å; K23-E67 PolarHBondContact NZ-OE2 3Å |
| 24 | Q | 94.1 | Very high | 92.7 | Very high | 126 Ų | 126 | 73.5 Ų | 73.5 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.3 | -36.5 | 174.3 | -173.3 | 60.1 | 58 | 0 | 0 | 111.3 | Q20 D21 S27 T28 | Q20-Q24 PolarHBondContact O-N 3.28Å; D21-Q24 PolarHBondContact O-N 2.89Å; Q24-S27 PolarHBondContact NE2-OG 2.93Å; Q24-S27 PolarHBondContact O-OG 3.45Å; Q24-T28 WeakPolarHBondContact O-CG2 3.48Å |
| 25 | E | 95.3 | Very high | 93 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 171 | -167 | -170.5 | 158.8 | 0 | 0 | 110.4 | D21 M22 K23 S27 T28 V29 R37 L41 | D21-E25 PolarHBondContact O-N 2.89Å; M22-E25 PolarHBondContact O-N 3.24Å; K23-E25 VanDerWaalsContact C-N 3.3Å; E25-S27 VanDerWaalsContact C-N 3.26Å; E25-S27 PolarHBondContact O-N 3.18Å; E25-T28 PolarHBondContact O-N 2.66Å; E25-T28 PolarHBondContact O-OG1 2.86Å; E25-V29 WeakPolarHBondContact O-CG2 3.36Å; E25-V29 PolarHBondContact O-N 2.99Å; E25-R37 IonicContact OE1-CZ 3.76Å; E25-R37 IonicContact OE1-NE 2.79Å; E25-R37 IonicContact OE1-NH2 3.02Å; E25-R37 PolarHBondContact OE1-NH2 3.37Å; E25-L41 HydrophobicContact CB-CD1 4.44Å; E25-L41 HydrophobicContact CG-CD1 4.01Å |
| 26 | L | 94.6 | Very high | 93.3 | Very high | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56 | -38.5 | -179.2 | -170.9 | 77 | 0 | 0 | 0 | 112.3 | M22 K23 T28 V29 Y38 L41 E42 I45 | M22-L26 WeakPolarHBondContact O-CB 3.47Å; M22-L26 PolarHBondContact O-N 3.27Å; K23-L26 PolarHBondContact O-N 3.48Å; L26-T28 PolarHBondContact O-N 3.37Å; L26-V29 PolarHBondContact O-N 3.4Å; L26-V29 VanDerWaalsContact O-N 3.11Å; L26-Y38 HydrophobicContact CD1-CD1 4.1Å; L26-Y38 HydrophobicContact CD1-CD2 3.55Å; L26-Y38 HydrophobicContact CD1-CE1 4.14Å; L26-Y38 HydrophobicContact CD1-CE2 3.63Å; L26-Y38 HydrophobicContact CD1-CG 3.78Å; L26-Y38 WeakPolarHBondContact CD1-O 3.48Å; L26-Y38 HydrophobicContact CD2-CE1 4.48Å; L26-Y38 HydrophobicContact CD2-CE2 4.09Å; L26-Y38 HydrophobicContact CG-CD2 3.98Å; L26-Y38 HydrophobicContact CG-CE2 3.59Å; L26-L41 HydrophobicContact CD1-CB 3.54Å; L26-L41 HydrophobicContact CD1-CD1 4.29Å; L26-E42 HydrophobicContact CD1-CB 4.37Å; L26-I45 HydrophobicContact CB-CD1 4.17Å; L26-I45 HydrophobicContact CD2-CD1 3.96Å |
| 27 | S | 93.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 79.1 Ų | 79.1 | 61% | 0.608 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.1 | -20 | 178.3 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | K23 Q24 E25 | K23-S27 PolarHBondContact O-N 3Å; Q24-S27 PolarHBondContact NE2-OG 2.93Å; Q24-S27 PolarHBondContact O-OG 3.45Å; E25-S27 VanDerWaalsContact C-N 3.26Å; E25-S27 PolarHBondContact O-N 3.18Å |
| 28 | T | 94.8 | Very high | 93.9 | Very high | 95 Ų | 95 | 79.2 Ų | 79.2 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -89.8 | -11.9 | 174.1 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | Q24 E25 L26 | Q24-T28 WeakPolarHBondContact O-CG2 3.48Å; E25-T28 PolarHBondContact O-N 2.66Å; E25-T28 PolarHBondContact O-OG1 2.86Å; L26-T28 PolarHBondContact O-N 3.37Å |
| 29 | V | 93.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 76.3 Ų | 76.3 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -85.2 | 123.6 | -179.9 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | E25 L26 M31 E34 R37 Y38 L41 | E25-V29 WeakPolarHBondContact O-CG2 3.36Å; E25-V29 PolarHBondContact O-N 2.99Å; L26-V29 PolarHBondContact O-N 3.4Å; L26-V29 VanDerWaalsContact O-N 3.11Å; V29-M31 PolarHBondContact O-N 2.7Å; V29-M31 VanDerWaalsContact O-N 3.11Å; V29-E34 HydrophobicContact CG1-CB 3.57Å; V29-E34 HydrophobicContact CG1-CG 4.49Å; V29-R37 HydrophobicContact CG1-CB 4.29Å; V29-R37 HydrophobicContact CG1-CG 4.3Å; V29-R37 HydrophobicContact CG2-CG 4.34Å; V29-R37 VanDerWaalsContact CG2-CZ 3.47Å; V29-Y38 HydrophobicContact CB-CD2 4.4Å; V29-Y38 HydrophobicContact CG1-CD2 4.4Å; V29-L41 HydrophobicContact CG2-CD1 3.8Å |
| 30 | N | 93.7 | Very high | 94.4 | Very high | 71 Ų | 71 | 84.7 Ų | 84.7 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | trans | -69.2 | 111.8 | 172.7 | -173.6 | -23.4 | 0 | 0 | 0 | 109.4 | M32 D33 E34 | N30-M32 PolarHBondContact O-N 2.86Å; N30-M32 PolarHBondContact OD1-N 3.44Å; N30-D33 HydrophobicContact CB-CB 4.2Å; N30-D33 PolarHBondContact ND2-OD2 3.15Å; N30-D33 PolarHBondContact O-N 3.43Å; N30-E34 WeakPolarHBondContact O-CA 3.36Å; N30-E34 WeakPolarHBondContact O-CB 3.33Å; N30-E34 PolarHBondContact O-N 2.94Å | ||
| 31 | M | 88.3 | Confident | 94.6 | Very high | 90 Ų | 90 | 79.8 Ų | 79.8 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -34 | -179.4 | -178 | -174.5 | -78.6 | 0 | 0 | 113.1 | V29 F35 Y38 | V29-M31 PolarHBondContact O-N 2.7Å; V29-M31 VanDerWaalsContact O-N 3.11Å; M31-F35 WeakPolarHBondContact O-CA 3.27Å; M31-F35 VanDerWaalsContact O-CB 3.27Å; M31-F35 WeakPolarHBondContact O-CB 3.41Å; M31-F35 PolarHBondContact O-N 3.04Å; M31-Y38 HydrophobicContact CB-CD2 3.98Å; M31-Y38 HydrophobicContact CB-CE2 4.24Å; M31-Y38 HydrophobicContact CB-CG 4.26Å; M31-Y38 HydrophobicContact CE-CD1 4.09Å; M31-Y38 HydrophobicContact CE-CD2 4.42Å; M31-Y38 HydrophobicContact CE-CE1 3.4Å; M31-Y38 HydrophobicContact CE-CE2 3.75Å; M31-Y38 VanDerWaalsContact CE-OH 3.29Å; M31-Y38 WeakPolarHBondContact CE-OH 3.39Å; M31-Y38 HydrophobicContact CG-CD1 4.24Å; M31-Y38 HydrophobicContact CG-CD2 4.33Å; M31-Y38 HydrophobicContact CG-CE1 4.47Å; M31-Y38 HydrophobicContact CG-CG 4.2Å |
| 32 | M | 90.1 | Very high | 94.6 | Very high | 160 Ų | 160 | 78.4 Ų | 78.4 | 79% | 0.788 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -49 | -176.4 | -65.3 | -67.4 | -73.4 | 0 | 0 | 111.3 | N30 | N30-M32 PolarHBondContact O-N 2.86Å; N30-M32 PolarHBondContact OD1-N 3.44Å |
| 33 | D | 94.8 | Very high | 94.7 | Very high | 131 Ų | 131 | 85.6 Ų | 85.6 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -34.1 | -174.5 | -58.4 | -24.1 | 0 | 0 | 0 | 111.9 | N30 | N30-D33 HydrophobicContact CB-CB 4.2Å; N30-D33 PolarHBondContact ND2-OD2 3.15Å; N30-D33 PolarHBondContact O-N 3.43Å |
| 34 | E | 96.8 | Very high | 94.8 | Very high | 71 Ų | 71 | 88.4 Ų | 88.4 | 33% | 0.332 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 32.9 | -174.4 | -64 | -175.3 | -95.3 | 0 | 0 | 112 | V29 N30 A36 R37 Y38 | V29-E34 HydrophobicContact CG1-CB 3.57Å; V29-E34 HydrophobicContact CG1-CG 4.49Å; N30-E34 WeakPolarHBondContact O-CA 3.36Å; N30-E34 WeakPolarHBondContact O-CB 3.33Å; N30-E34 PolarHBondContact O-N 2.94Å; E34-A36 PolarHBondContact O-N 3.49Å; E34-R37 HydrophobicContact CB-CB 4.25Å; E34-R37 WeakPolarHBondContact O-CA 3.46Å; E34-R37 WeakPolarHBondContact O-CB 3.47Å; E34-R37 PolarHBondContact O-N 3.43Å; E34-R37 IonicContact OE1-NH1 2.7Å; E34-R37 WeakPolarHBondContact OE2-CD 3.42Å; E34-R37 IonicContact OE2-CZ 3.72Å; E34-R37 IonicContact OE2-NE 3.89Å; E34-R37 IonicContact OE2-NH1 3.26Å; E34-R37 PolarHBondContact OE2-NH1 2.86Å; E34-Y38 PolarHBondContact O-N 3Å |
| 35 | F | 94.7 | Very high | 94.8 | Very high | 135 Ų | 135 | 82.8 Ų | 82.8 | 59% | 0.592 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -47.3 | -42.1 | -176.3 | 179.9 | -104.8 | 0 | 0 | 0 | 113.9 | M31 R37 Y38 A39 | M31-F35 WeakPolarHBondContact O-CA 3.27Å; M31-F35 VanDerWaalsContact O-CB 3.27Å; M31-F35 WeakPolarHBondContact O-CB 3.41Å; M31-F35 PolarHBondContact O-N 3.04Å; F35-R37 VanDerWaalsContact C-N 3.32Å; F35-R37 PolarHBondContact O-N 3.02Å; F35-Y38 PolarHBondContact O-N 2.86Å; F35-A39 HydrophobicContact CZ-CB 4.44Å; F35-A39 VanDerWaalsContact O-CB 3.28Å; F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.22Å |
| 36 | A | 96.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 83.1 Ų | 83.1 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E34 R40 | E34-A36 PolarHBondContact O-N 3.49Å; A36-R40 WeakPolarHBondContact O-CB 3.45Å; A36-R40 WeakPolarHBondContact O-CD 3.39Å; A36-R40 WeakPolarHBondContact O-CG 3.5Å; A36-R40 PolarHBondContact O-N 3.42Å |
| 37 | R | 96.2 | Very high | 94.5 | Very high | 94 Ų | 94 | 88.9 Ų | 88.9 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.5 | -46.3 | 176 | -177.2 | -175.7 | 166.2 | -163.5 | -7.5 | 110.2 | E25 V29 E34 F35 A39 R40 L41 | E25-R37 IonicContact OE1-CZ 3.76Å; E25-R37 IonicContact OE1-NE 2.79Å; E25-R37 IonicContact OE1-NH2 3.02Å; E25-R37 PolarHBondContact OE1-NH2 3.37Å; V29-R37 HydrophobicContact CG1-CB 4.29Å; V29-R37 HydrophobicContact CG1-CG 4.3Å; V29-R37 HydrophobicContact CG2-CG 4.34Å; V29-R37 VanDerWaalsContact CG2-CZ 3.47Å; E34-R37 HydrophobicContact CB-CB 4.25Å; E34-R37 WeakPolarHBondContact O-CA 3.46Å; E34-R37 WeakPolarHBondContact O-CB 3.47Å; E34-R37 PolarHBondContact O-N 3.43Å; E34-R37 IonicContact OE1-NH1 2.7Å; E34-R37 WeakPolarHBondContact OE2-CD 3.42Å; E34-R37 IonicContact OE2-CZ 3.72Å; E34-R37 IonicContact OE2-NE 3.89Å; E34-R37 IonicContact OE2-NH1 3.26Å; E34-R37 PolarHBondContact OE2-NH1 2.86Å; F35-R37 VanDerWaalsContact C-N 3.32Å; F35-R37 PolarHBondContact O-N 3.02Å; R37-A39 PolarHBondContact O-N 3.38Å; R37-R40 PolarHBondContact O-N 3.17Å; R37-R40 VanDerWaalsContact O-N 3.16Å; R37-L41 HydrophobicContact CG-CD1 4.26Å; R37-L41 PolarHBondContact O-N 3.42Å |
| 38 | Y | 96.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 86 Ų | 86 | 15% | 0.153 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -53.8 | -54.4 | 175.7 | -172.1 | -79 | 0 | 0 | 0 | 111.1 | L26 V29 M31 E34 F35 R40 L41 E42 | L26-Y38 HydrophobicContact CD1-CD1 4.1Å; L26-Y38 HydrophobicContact CD1-CD2 3.55Å; L26-Y38 HydrophobicContact CD1-CE1 4.14Å; L26-Y38 HydrophobicContact CD1-CE2 3.63Å; L26-Y38 HydrophobicContact CD1-CG 3.78Å; L26-Y38 WeakPolarHBondContact CD1-O 3.48Å; L26-Y38 HydrophobicContact CD2-CE1 4.48Å; L26-Y38 HydrophobicContact CD2-CE2 4.09Å; L26-Y38 HydrophobicContact CG-CD2 3.98Å; L26-Y38 HydrophobicContact CG-CE2 3.59Å; V29-Y38 HydrophobicContact CB-CD2 4.4Å; V29-Y38 HydrophobicContact CG1-CD2 4.4Å; M31-Y38 HydrophobicContact CB-CD2 3.98Å; M31-Y38 HydrophobicContact CB-CE2 4.24Å; M31-Y38 HydrophobicContact CB-CG 4.26Å; M31-Y38 HydrophobicContact CE-CD1 4.09Å; M31-Y38 HydrophobicContact CE-CD2 4.42Å; M31-Y38 HydrophobicContact CE-CE1 3.4Å; M31-Y38 HydrophobicContact CE-CE2 3.75Å; M31-Y38 VanDerWaalsContact CE-OH 3.29Å; M31-Y38 WeakPolarHBondContact CE-OH 3.39Å; M31-Y38 HydrophobicContact CG-CD1 4.24Å; M31-Y38 HydrophobicContact CG-CD2 4.33Å; M31-Y38 HydrophobicContact CG-CE1 4.47Å; M31-Y38 HydrophobicContact CG-CG 4.2Å; E34-Y38 PolarHBondContact O-N 3Å; F35-Y38 PolarHBondContact O-N 2.86Å; Y38-R40 VanDerWaalsContact C-N 3.25Å; Y38-R40 PolarHBondContact O-N 3.42Å; Y38-L41 PolarHBondContact O-N 3.15Å; Y38-L41 VanDerWaalsContact O-N 3.16Å; Y38-E42 HydrophobicContact CE1-CB 4.33Å; Y38-E42 WeakPolarHBondContact CE1-OE2 3.48Å; Y38-E42 WeakPolarHBondContact O-CB 3.42Å; Y38-E42 PolarHBondContact O-N 3.28Å |
| 39 | A | 96.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 83.2 Ų | 83.2 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65 | -25.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | F35 R37 R43 | F35-A39 HydrophobicContact CZ-CB 4.44Å; F35-A39 VanDerWaalsContact O-CB 3.28Å; F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.22Å; R37-A39 PolarHBondContact O-N 3.38Å; A39-R43 WeakPolarHBondContact O-CB 3.33Å; A39-R43 WeakPolarHBondContact O-CG 3.24Å; A39-R43 PolarHBondContact O-N 3.29Å; A39-R43 PolarHBondContact O-NE 3.3Å |
| 40 | R | 97.5 | Very high | 93.6 | Very high | 186 Ų | 186 | 86.5 Ų | 86.5 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -75.2 | -46.4 | 173.4 | -78.1 | 172.7 | -176.5 | -139.9 | 3 | 110.9 | A36 R37 Y38 R43 K44 | A36-R40 WeakPolarHBondContact O-CB 3.45Å; A36-R40 WeakPolarHBondContact O-CD 3.39Å; A36-R40 WeakPolarHBondContact O-CG 3.5Å; A36-R40 PolarHBondContact O-N 3.42Å; R37-R40 PolarHBondContact O-N 3.17Å; R37-R40 VanDerWaalsContact O-N 3.16Å; Y38-R40 VanDerWaalsContact C-N 3.25Å; Y38-R40 PolarHBondContact O-N 3.42Å; R40-R43 PolarHBondContact O-N 3.22Å; R40-K44 WeakPolarHBondContact O-CB 3.4Å; R40-K44 PolarHBondContact O-N 2.83Å |
| 41 | L | 96.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 87.8 Ų | 87.8 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.7 | -79.2 | 171.5 | 0 | 0 | 0 | 111.1 | E25 L26 V29 R37 Y38 R43 K44 I45 | E25-L41 HydrophobicContact CB-CD1 4.44Å; E25-L41 HydrophobicContact CG-CD1 4.01Å; L26-L41 HydrophobicContact CD1-CB 3.54Å; L26-L41 HydrophobicContact CD1-CD1 4.29Å; V29-L41 HydrophobicContact CG2-CD1 3.8Å; R37-L41 HydrophobicContact CG-CD1 4.26Å; R37-L41 PolarHBondContact O-N 3.42Å; Y38-L41 PolarHBondContact O-N 3.15Å; Y38-L41 VanDerWaalsContact O-N 3.16Å; L41-R43 VanDerWaalsContact C-N 3.35Å; L41-R43 PolarHBondContact O-N 3.05Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 3.3Å; L41-I45 WeakPolarHBondContact O-CG1 3.46Å; L41-I45 PolarHBondContact O-N 3.24Å |
| 42 | E | 95.4 | Very high | 92.7 | Very high | 82 Ų | 82 | 84 Ų | 84 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 177.7 | -173.4 | 167.6 | -135.9 | 0 | 0 | 112 | L26 Y38 K44 I45 N46 | L26-E42 HydrophobicContact CD1-CB 4.37Å; Y38-E42 HydrophobicContact CE1-CB 4.33Å; Y38-E42 WeakPolarHBondContact CE1-OE2 3.48Å; Y38-E42 WeakPolarHBondContact O-CB 3.42Å; Y38-E42 PolarHBondContact O-N 3.28Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.15Å; E42-I45 PolarHBondContact O-N 2.67Å; E42-N46 WeakPolarHBondContact O-CB 3.34Å; E42-N46 VanDerWaalsContact O-CG 3.29Å; E42-N46 PolarHBondContact O-N 2.8Å; E42-N46 PolarHBondContact O-ND2 3.36Å |
| 43 | R | 96.9 | Very high | 91.9 | Very high | 166 Ų | 166 | 80.4 Ų | 80.4 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.7 | -37.2 | 173.9 | -80.3 | -177.1 | -79.1 | -150.7 | -2.4 | 113.1 | A39 R40 L41 K47 | A39-R43 WeakPolarHBondContact O-CB 3.33Å; A39-R43 WeakPolarHBondContact O-CG 3.24Å; A39-R43 PolarHBondContact O-N 3.29Å; A39-R43 PolarHBondContact O-NE 3.3Å; R40-R43 PolarHBondContact O-N 3.22Å; L41-R43 VanDerWaalsContact C-N 3.35Å; L41-R43 PolarHBondContact O-N 3.05Å; R43-K47 WeakPolarHBondContact O-CB 3.2Å; R43-K47 PolarHBondContact O-N 3.11Å |
| 44 | K | 95.6 | Very high | 90.6 | Very high | 123 Ų | 123 | 79.7 Ų | 79.7 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 177.6 | -168.4 | 179.3 | 173.5 | -164.2 | 0 | 111.2 | M22 R40 L41 E42 K47 M48 | M22-K44 HydrophobicContact SD-CB 4.28Å; M22-K44 HydrophobicContact SD-CD 3.5Å; M22-K44 VanDerWaalsContact SD-CD 3.5Å; M22-K44 VanDerWaalsContact SD-CE 3.56Å; M22-K44 HydrophobicContact SD-CG 3.68Å; R40-K44 WeakPolarHBondContact O-CB 3.4Å; R40-K44 PolarHBondContact O-N 2.83Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 3.3Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.15Å; K44-K47 PolarHBondContact O-N 3.29Å; K44-M48 WeakPolarHBondContact O-CG 3.38Å; K44-M48 PolarHBondContact O-N 2.96Å |
| 45 | I | 93.9 | Very high | 89.1 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 5% | 0.046 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -49.6 | 173.8 | -69.5 | 161.5 | 0 | 0 | 0 | 110 | I19 M22 K23 L26 L41 E42 K47 M48 T49 | I19-I45 HydrophobicContact CG2-CG2 4.34Å; M22-I45 HydrophobicContact CB-CD1 4.03Å; M22-I45 HydrophobicContact CB-CG1 3.64Å; M22-I45 HydrophobicContact CE-CG1 4.33Å; K23-I45 HydrophobicContact CG-CD1 4.02Å; K23-I45 HydrophobicContact CG-CG2 4.28Å; L26-I45 HydrophobicContact CB-CD1 4.17Å; L26-I45 HydrophobicContact CD2-CD1 3.96Å; L41-I45 WeakPolarHBondContact O-CG1 3.46Å; L41-I45 PolarHBondContact O-N 3.24Å; E42-I45 PolarHBondContact O-N 2.67Å; I45-K47 PolarHBondContact O-N 3.26Å; I45-M48 PolarHBondContact O-N 2.79Å; I45-T49 VanDerWaalsContact O-CB 3.27Å; I45-T49 WeakPolarHBondContact O-CB 3.44Å; I45-T49 PolarHBondContact O-N 2.96Å; I45-T49 PolarHBondContact O-OG1 2.85Å |
| 46 | N | 91.4 | Very high | 87.3 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 178.4 | -73.7 | -26.4 | 0 | 0 | 0 | 111.6 | E42 M48 T49 D50 | E42-N46 WeakPolarHBondContact O-CB 3.34Å; E42-N46 VanDerWaalsContact O-CG 3.29Å; E42-N46 PolarHBondContact O-N 2.8Å; E42-N46 PolarHBondContact O-ND2 3.36Å; N46-M48 PolarHBondContact O-N 3.16Å; N46-T49 PolarHBondContact O-N 3.21Å; N46-D50 WeakPolarHBondContact O-CB 3.44Å; N46-D50 PolarHBondContact O-N 3.46Å |
| 47 | K | 92.8 | Very high | 85.2 | Confident | 139 Ų | 139 | 80.5 Ų | 80.5 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 178.4 | -174 | 175.9 | -175.9 | 176.3 | 0 | 112.9 | R43 K44 I45 K51 | R43-K47 WeakPolarHBondContact O-CB 3.2Å; R43-K47 PolarHBondContact O-N 3.11Å; K44-K47 PolarHBondContact O-N 3.29Å; I45-K47 PolarHBondContact O-N 3.26Å; K47-K51 WeakPolarHBondContact O-CG 3.4Å; K47-K51 PolarHBondContact O-N 2.7Å |
| 48 | M | 88.6 | Confident | 83.1 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.5 | -38.1 | 178.9 | -71.1 | -67.6 | -77 | 0 | 0 | 111.5 | M15 E18 I19 M22 K44 I45 N46 D50 K51 L52 | M15-M48 HydrophobicContact CE-CE 4.35Å; M15-M48 HydrophobicContact CG-CE 4.21Å; E18-M48 VanDerWaalsContact OE2-CE 3.31Å; E18-M48 WeakPolarHBondContact OE2-CE 3.43Å; I19-M48 HydrophobicContact CD1-CB 3.99Å; I19-M48 HydrophobicContact CG1-CB 3.8Å; M22-M48 HydrophobicContact CE-CB 4.3Å; M22-M48 HydrophobicContact CE-CG 4.05Å; K44-M48 WeakPolarHBondContact O-CG 3.38Å; K44-M48 PolarHBondContact O-N 2.96Å; I45-M48 PolarHBondContact O-N 2.79Å; N46-M48 PolarHBondContact O-N 3.16Å; M48-D50 VanDerWaalsContact C-N 3.35Å; M48-K51 WeakPolarHBondContact O-CB 3.47Å; M48-K51 PolarHBondContact O-N 2.99Å; M48-K51 HydrophobicContact SD-CD 4.19Å; M48-L52 PolarHBondContact O-N 3.29Å; M48-L52 VanDerWaalsContact O-N 3.15Å |
| 49 | T | 87.2 | Confident | 81 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.7 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | I45 N46 K51 L52 K53 | I45-T49 VanDerWaalsContact O-CB 3.27Å; I45-T49 WeakPolarHBondContact O-CB 3.44Å; I45-T49 PolarHBondContact O-N 2.96Å; I45-T49 PolarHBondContact O-OG1 2.85Å; N46-T49 PolarHBondContact O-N 3.21Å; T49-K51 VanDerWaalsContact C-N 3.35Å; T49-K51 PolarHBondContact O-N 3.16Å; T49-L52 WeakPolarHBondContact O-CB 3.37Å; T49-L52 PolarHBondContact O-N 3.25Å; T49-K53 WeakPolarHBondContact O-CG 3.29Å; T49-K53 PolarHBondContact O-N 2.99Å |
| 50 | D | 86.5 | Confident | 78.8 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 175.7 | -70.8 | -22.7 | 0 | 0 | 0 | 112.2 | N46 M48 L52 K53 T54 | N46-D50 WeakPolarHBondContact O-CB 3.44Å; N46-D50 PolarHBondContact O-N 3.46Å; M48-D50 VanDerWaalsContact C-N 3.35Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.28Å; D50-K53 WeakPolarHBondContact O-CB 3.38Å; D50-K53 PolarHBondContact O-N 2.77Å; D50-K53 VanDerWaalsContact O-N 3.15Å; D50-K53 WeakPolarHBondContact OD1-CE 3.39Å; D50-K53 IonicContact OD1-NZ 2.67Å; D50-K53 PolarHBondContact OD1-NZ 2.94Å; D50-T54 PolarHBondContact O-N 3.44Å; D50-T54 PolarHBondContact O-OG1 3.05Å |
| 51 | K | 84.4 | Confident | 76.5 | Confident | 98 Ų | 98 | 75.6 Ų | 75.6 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 172.8 | -71.7 | 176.5 | 176.3 | -174.5 | 0 | 112.2 | M15 K47 M48 T49 T54 H55 | M15-K51 HydrophobicContact CE-CB 3.62Å; M15-K51 HydrophobicContact CE-CD 4.28Å; K47-K51 WeakPolarHBondContact O-CG 3.4Å; K47-K51 PolarHBondContact O-N 2.7Å; M48-K51 WeakPolarHBondContact O-CB 3.47Å; M48-K51 PolarHBondContact O-N 2.99Å; M48-K51 HydrophobicContact SD-CD 4.19Å; T49-K51 VanDerWaalsContact C-N 3.35Å; T49-K51 PolarHBondContact O-N 3.16Å; K51-T54 WeakPolarHBondContact CA-OG1 3.18Å; K51-T54 PolarHBondContact O-N 3.38Å; K51-T54 PolarHBondContact O-OG1 3.43Å; K51-H55 PolarHBondContact O-CD2 3.19Å; K51-H55 PolarHBondContact O-N 3.11Å |
| 52 | L | 79.3 | Confident | 74.5 | Confident | 9 Ų | 9 | 77.9 Ų | 77.9 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 174.5 | -77.2 | -178.9 | 0 | 0 | 0 | 112.4 | E12 M15 R16 I19 M48 T49 D50 T54 H55 V58 | E12-L52 HydrophobicContact CG-CD2 3.71Å; M15-L52 HydrophobicContact CB-CD1 4.35Å; M15-L52 HydrophobicContact CB-CD2 3.8Å; M15-L52 HydrophobicContact CB-CG 4.18Å; M15-L52 HydrophobicContact CE-CD2 3.96Å; M15-L52 HydrophobicContact CE-CG 3.98Å; M15-L52 HydrophobicContact SD-CD2 4.1Å; R16-L52 HydrophobicContact CG-CD1 3.78Å; I19-L52 HydrophobicContact CD1-CD1 3.44Å; I19-L52 VanDerWaalsContact CD1-CD1 3.44Å; I19-L52 HydrophobicContact CD1-CG 4.29Å; M48-L52 PolarHBondContact O-N 3.29Å; M48-L52 VanDerWaalsContact O-N 3.15Å; T49-L52 WeakPolarHBondContact O-CB 3.37Å; T49-L52 PolarHBondContact O-N 3.25Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.28Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-H55 PolarHBondContact O-N 2.92Å; L52-V58 HydrophobicContact CB-CG2 4.26Å |
| 53 | K | 71.6 | Confident | 72.5 | Confident | 86 Ų | 86 | 79 Ų | 79 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.7 | -65 | 172.6 | -153.3 | 169.7 | 0 | 111.5 | T49 D50 G56 L60 | T49-K53 WeakPolarHBondContact O-CG 3.29Å; T49-K53 PolarHBondContact O-N 2.99Å; D50-K53 WeakPolarHBondContact O-CB 3.38Å; D50-K53 PolarHBondContact O-N 2.77Å; D50-K53 VanDerWaalsContact O-N 3.15Å; D50-K53 WeakPolarHBondContact OD1-CE 3.39Å; D50-K53 IonicContact OD1-NZ 2.67Å; D50-K53 PolarHBondContact OD1-NZ 2.94Å; K53-G56 PolarHBondContact O-N 3.44Å; K53-L60 HydrophobicContact CD-CD1 4.01Å; K53-L60 VanDerWaalsContact CE-CD1 3.45Å; K53-L60 HydrophobicContact CG-CD1 4.32Å |
| 54 | T | 69.3 | Low | 70.3 | Confident | 116 Ų | 116 | 78.7 Ų | 78.7 | 71% | 0.712 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.1 | -25.7 | -179.5 | 46.3 | 0 | 0 | 0 | 0 | 114 | D50 K51 L52 G56 | D50-T54 PolarHBondContact O-N 3.44Å; D50-T54 PolarHBondContact O-OG1 3.05Å; K51-T54 WeakPolarHBondContact CA-OG1 3.18Å; K51-T54 PolarHBondContact O-N 3.38Å; K51-T54 PolarHBondContact O-OG1 3.43Å; L52-T54 VanDerWaalsContact C-N 3.34Å; T54-G56 VanDerWaalsContact C-N 3.31Å; T54-G56 PolarHBondContact O-N 2.84Å |
| 55 | H | 63.6 | Low | 68.2 | Low | 134 Ų | 134 | 79.5 Ų | 79.5 | 62% | 0.62 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 1.4 | 177 | -89.1 | -87.2 | 0 | 0 | 0 | 114.5 | K51 L52 | K51-H55 PolarHBondContact O-CD2 3.19Å; K51-H55 PolarHBondContact O-N 3.11Å; L52-H55 PolarHBondContact O-N 2.92Å |
| 56 | G | 57.3 | Low | 66 | Low | 63 Ų | 63 | 87.1 Ų | 87.1 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | 12.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | K53 T54 | K53-G56 PolarHBondContact O-N 3.44Å; T54-G56 VanDerWaalsContact C-N 3.31Å; T54-G56 PolarHBondContact O-N 2.84Å |
| 57 | T | 53.3 | Low | 64.1 | Low | 91 Ų | 91 | 89.3 Ų | 89.3 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | trans | -121.5 | -2.4 | -177.2 | 16.9 | 0 | 0 | 0 | 0 | 115.3 | E12 | E12-T57 VanDerWaalsContact CD-OG1 3.3Å; E12-T57 WeakPolarHBondContact OE2-CB 3.28Å; E12-T57 PolarHBondContact OE2-OG1 3.35Å | ||
| 58 | V | 51.8 | Low | 61.4 | Low | 26 Ų | 26 | 87.9 Ų | 87.9 | 16% | 0.158 | 48% | 0.482 | C | S | . | . | trans | -112.7 | 96.5 | -173.3 | -158.4 | 0 | 0 | 0 | 0 | 111.2 | L52 L60 W63 | L52-V58 HydrophobicContact CB-CG2 4.26Å; V58-L60 PolarHBondContact O-N 2.93Å; V58-W63 HydrophobicContact CG1-CD2 4.4Å; V58-W63 HydrophobicContact CG1-CG 3.96Å | ||
| 59 | S | 51.3 | Low | 58.9 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 57% | 0.573 | 55% | 0.546 | S | S | * | . | trans | -58.7 | 106.6 | 163.8 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | A61 A62 | S59-A61 PolarHBondContact O-N 3.37Å; S59-A62 PolarHBondContact O-N 3.41Å | ||
| 60 | L | 51.2 | Low | 57.5 | Low | 63 Ų | 63 | 96.3 Ų | 96.3 | 33% | 0.33 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -53.2 | -22.4 | 178.9 | -165.7 | 68.2 | 0 | 0 | 0 | 112.4 | K53 V58 W63 R64 | K53-L60 HydrophobicContact CD-CD1 4.01Å; K53-L60 VanDerWaalsContact CE-CD1 3.45Å; K53-L60 HydrophobicContact CG-CD1 4.32Å; V58-L60 PolarHBondContact O-N 2.93Å; L60-W63 PolarHBondContact O-N 2.85Å; L60-R64 WeakPolarHBondContact O-CB 3.32Å; L60-R64 PolarHBondContact O-N 2.84Å; L60-R64 VanDerWaalsContact O-N 3.15Å |
| 61 | A | 50.2 | Low | 56 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S59 W63 L65 | S59-A61 PolarHBondContact O-N 3.37Å; A61-W63 PolarHBondContact O-N 3.04Å; A61-L65 WeakPolarHBondContact O-CB 3.4Å; A61-L65 WeakPolarHBondContact O-CD1 3.16Å; A61-L65 VanDerWaalsContact O-CG 3.24Å; A61-L65 WeakPolarHBondContact O-CG 3.27Å; A61-L65 PolarHBondContact O-N 2.94Å |
| 62 | A | 52.3 | Low | 54.4 | Low | 64 Ų | 64 | 97.1 Ų | 97.1 | 53% | 0.529 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.5 | -30.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S59 | S59-A62 PolarHBondContact O-N 3.41Å |
| 63 | W | 55 | Low | 53 | Low | 106 Ų | 106 | 102.3 Ų | 102.3 | 40% | 0.402 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -82.7 | -34.1 | -178.1 | -73 | 75.3 | 0 | 0 | 0 | 112.9 | V58 L60 A61 | V58-W63 HydrophobicContact CG1-CD2 4.4Å; V58-W63 HydrophobicContact CG1-CG 3.96Å; L60-W63 PolarHBondContact O-N 2.85Å; A61-W63 PolarHBondContact O-N 3.04Å |
| 64 | R | 50.7 | Low | 51.8 | Low | 160 Ų | 160 | 103.3 Ų | 103.3 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.1 | -28.2 | 177.6 | -170.3 | 173.1 | -81.7 | 130.1 | -9.1 | 112.7 | L60 | L60-R64 WeakPolarHBondContact O-CB 3.32Å; L60-R64 PolarHBondContact O-N 2.84Å; L60-R64 VanDerWaalsContact O-N 3.15Å |
| 65 | L | 50.7 | Low | 50.6 | Low | 139 Ų | 139 | 102.5 Ų | 102.5 | 73% | 0.728 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.5 | -26.2 | 179.4 | -76.6 | 168.6 | 0 | 0 | 0 | 114 | A61 E67 | A61-L65 WeakPolarHBondContact O-CB 3.4Å; A61-L65 WeakPolarHBondContact O-CD1 3.16Å; A61-L65 VanDerWaalsContact O-CG 3.24Å; A61-L65 WeakPolarHBondContact O-CG 3.27Å; A61-L65 PolarHBondContact O-N 2.94Å; L65-E67 VanDerWaalsContact C-N 3.34Å |
| 66 | H | 47.8 | Very low | 49.7 | Very low | 169 Ų | 169 | 100.2 Ų | 100.2 | 78% | 0.782 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -4.7 | 177.7 | -164.4 | -79.4 | 0 | 0 | 0 | 113.6 | ||
| 67 | E | 51.4 | Low | 49.1 | Very low | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 5.5 | 179 | -71.3 | -167.2 | 122.2 | 0 | 0 | 113.7 | K23 L65 | K23-E67 IonicContact NZ-OE1 3.73Å; K23-E67 PolarHBondContact NZ-OE1 3.3Å; K23-E67 IonicContact NZ-OE2 3.58Å; K23-E67 PolarHBondContact NZ-OE2 3Å; L65-E67 VanDerWaalsContact C-N 3.34Å |
| 68 | S | 36.5 | Very low | 48.8 | Very low | 109 Ų | 109 | 104.1 Ų | 104.1 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | trans | -113.3 | 18.4 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 69 | G | 36.3 | Very low | 48.5 | Very low | 143 Ų | 143 | 111.2 Ų | 111.2 | 100% | 1.474 | 66% | 0.661 | S | S | * | * | trans | -102.5 | 0 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 69 of 69 residues in 14 ms
(Link to these results)