| 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 | 62.3 | Low | 77.7 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 50% | 0.498 | 48% | 0.478 | S | S | . | . | 0 | -60.4 | 0 | -77.3 | -168.7 | -179.7 | 0 | 0 | 110.8 | D4 W5 K13 | M1-D4 CarbonylContact O-C 3.31Å; M1-W5 PolarHBondContact O-N 3.39Å; M1-K13 HydrophobicContact CE-CD 4.26Å | |||
| 2 | L | 66 | Low | 78.7 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | trans | -69.7 | -40.2 | 172.8 | -77.3 | 163.8 | 0 | 0 | 0 | 112.8 | D4 W5 P29 M30 V33 | L2-D4 PolarHBondContact O-N 3.26Å; L2-D4 VanDerWaalsContact O-N 3.17Å; L2-W5 WeakPolarHBondContact O-CB 3.33Å; L2-W5 PolarHBondContact O-N 3.16Å; L2-P29 HydrophobicContact CD1-CB 4.16Å; L2-M30 HydrophobicContact CD2-CE 3.95Å; L2-M30 HydrophobicContact CD2-SD 4.01Å; L2-M30 HydrophobicContact CG-SD 4.39Å; L2-V33 HydrophobicContact CD2-CB 4.08Å; L2-V33 HydrophobicContact CD2-CG1 4.3Å; L2-V33 HydrophobicContact CD2-CG2 3.79Å | ||
| 3 | G | 74.3 | Confident | 79.3 | Confident | 79 Ų | 79 | 99.6 Ų | 99.6 | 81% | 0.814 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 4 | D | 77.8 | Confident | 79.7 | Confident | 92 Ų | 92 | 94.6 Ų | 94.6 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 35.1 | 177 | -64.5 | -44.3 | 0 | 0 | 0 | 110.4 | M1 L2 E6 K7 Y8 | M1-D4 CarbonylContact O-C 3.31Å; L2-D4 PolarHBondContact O-N 3.26Å; L2-D4 VanDerWaalsContact O-N 3.17Å; D4-E6 PolarHBondContact O-N 3.4Å; D4-E6 VanDerWaalsContact O-N 3.13Å; D4-K7 HydrophobicContact CB-CB 4.46Å; D4-K7 WeakPolarHBondContact O-CB 3.49Å; D4-K7 PolarHBondContact O-N 3.16Å; D4-Y8 HydrophobicContact CB-CD2 3.64Å; D4-Y8 HydrophobicContact CB-CE2 3.7Å; D4-Y8 WeakPolarHBondContact O-CD2 3.45Å; D4-Y8 PolarHBondContact O-N 2.9Å |
| 5 | W | 79.4 | Confident | 80.2 | Confident | 57 Ų | 57 | 94 Ų | 94 | 22% | 0.216 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -49.3 | -44.3 | -170.4 | 173.5 | -117.6 | 0 | 0 | 0 | 113.3 | M1 L2 K7 Y8 K9 L14 M30 V33 L34 | M1-W5 PolarHBondContact O-N 3.39Å; L2-W5 WeakPolarHBondContact O-CB 3.33Å; L2-W5 PolarHBondContact O-N 3.16Å; W5-K7 PolarHBondContact O-N 3.26Å; W5-Y8 PolarHBondContact O-N 3.42Å; W5-K9 HydrophobicContact CD2-CB 3.97Å; W5-K9 HydrophobicContact CE3-CB 4.21Å; W5-K9 HydrophobicContact CH2-CB 3.86Å; W5-K9 HydrophobicContact CZ2-CB 3.6Å; W5-K9 HydrophobicContact CZ3-CB 4.14Å; W5-K9 WeakPolarHBondContact O-CB 3.22Å; W5-K9 PolarHBondContact O-N 3.44Å; W5-L14 HydrophobicContact CH2-CD2 3.79Å; W5-L14 HydrophobicContact CZ3-CD2 3.57Å; W5-M30 HydrophobicContact CE3-CE 3.97Å; W5-M30 HydrophobicContact CH2-CE 3.94Å; W5-M30 HydrophobicContact CZ3-CE 3.27Å; W5-V33 HydrophobicContact CB-CG1 4.49Å; W5-V33 HydrophobicContact CD2-CG1 3.18Å; W5-V33 HydrophobicContact CE3-CG1 3.58Å; W5-V33 HydrophobicContact CG-CG1 3.61Å; W5-V33 HydrophobicContact CH2-CG1 3.95Å; W5-V33 HydrophobicContact CZ2-CG1 3.58Å; W5-V33 HydrophobicContact CZ3-CG1 3.97Å; W5-L34 HydrophobicContact CH2-CD2 3.74Å; W5-L34 HydrophobicContact CH2-CG 4.19Å; W5-L34 HydrophobicContact CZ2-CD2 4.48Å |
| 6 | E | 81.1 | Confident | 80.9 | Confident | 130 Ų | 130 | 93 Ų | 93 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57 | -33.7 | 179.8 | -74.5 | -58.3 | 113.3 | 0 | 0 | 113.7 | D4 K9 | D4-E6 PolarHBondContact O-N 3.4Å; D4-E6 VanDerWaalsContact O-N 3.13Å; E6-K9 IonicContact OE1-NZ 2.86Å; E6-K9 PolarHBondContact OE1-NZ 3.26Å; E6-K9 WeakPolarHBondContact OE2-CE 3.48Å; E6-K9 IonicContact OE2-NZ 2.63Å; E6-K9 PolarHBondContact OE2-NZ 3.23Å |
| 7 | K | 82.4 | Confident | 81.2 | Confident | 156 Ų | 156 | 95.5 Ų | 95.5 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -80.3 | -30.7 | 177 | -177.8 | 176.9 | 178.7 | 177 | 0 | 112.6 | D4 W5 | D4-K7 HydrophobicContact CB-CB 4.46Å; D4-K7 WeakPolarHBondContact O-CB 3.49Å; D4-K7 PolarHBondContact O-N 3.16Å; W5-K7 PolarHBondContact O-N 3.26Å |
| 8 | Y | 78.8 | Confident | 81.4 | Confident | 70 Ų | 70 | 93 Ų | 93 | 28% | 0.275 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -100.2 | -18.8 | -170 | -76.8 | -75.8 | 0 | 0 | 0 | 114.6 | D4 W5 S10 S11 | D4-Y8 HydrophobicContact CB-CD2 3.64Å; D4-Y8 HydrophobicContact CB-CE2 3.7Å; D4-Y8 WeakPolarHBondContact O-CD2 3.45Å; D4-Y8 PolarHBondContact O-N 2.9Å; W5-Y8 PolarHBondContact O-N 3.42Å; Y8-S10 PolarHBondContact O-N 3.31Å; Y8-S11 WeakPolarHBondContact O-CB 3.39Å; Y8-S11 PolarHBondContact O-N 3.3Å; Y8-S11 PolarHBondContact O-OG 3.49Å |
| 9 | K | 81.8 | Confident | 81.8 | Confident | 97 Ų | 97 | 98.8 Ų | 98.8 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.7 | -173.6 | 66.8 | -176.5 | 177.8 | -171.1 | 0 | 114.8 | W5 E6 | W5-K9 HydrophobicContact CD2-CB 3.97Å; W5-K9 HydrophobicContact CE3-CB 4.21Å; W5-K9 HydrophobicContact CH2-CB 3.86Å; W5-K9 HydrophobicContact CZ2-CB 3.6Å; W5-K9 HydrophobicContact CZ3-CB 4.14Å; W5-K9 WeakPolarHBondContact O-CB 3.22Å; W5-K9 PolarHBondContact O-N 3.44Å; E6-K9 IonicContact OE1-NZ 2.86Å; E6-K9 PolarHBondContact OE1-NZ 3.26Å; E6-K9 WeakPolarHBondContact OE2-CE 3.48Å; E6-K9 IonicContact OE2-NZ 2.63Å; E6-K9 PolarHBondContact OE2-NZ 3.23Å |
| 10 | S | 83.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 5.1 | 179.3 | 54 | 0 | 0 | 0 | 0 | 113.6 | Y8 | Y8-S10 PolarHBondContact O-N 3.31Š|
| 11 | S | 87.4 | Confident | 82.5 | Confident | 30 Ų | 30 | 100.5 Ų | 100.5 | 21% | 0.21 | 50% | 0.502 | C | S | . | . | trans | -77 | 136.7 | -175.5 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | Y8 K13 L14 I15 | Y8-S11 WeakPolarHBondContact O-CB 3.39Å; Y8-S11 PolarHBondContact O-N 3.3Å; Y8-S11 PolarHBondContact O-OG 3.49Å; S11-K13 PolarHBondContact O-N 2.85Å; S11-K13 VanDerWaalsContact O-N 3.15Å; S11-L14 WeakPolarHBondContact O-CB 3.46Å; S11-L14 PolarHBondContact O-N 3.27Å; S11-L14 PolarHBondContact OG-N 2.99Å; S11-I15 PolarHBondContact O-N 3.47Å | ||
| 12 | R | 89.3 | Confident | 83.7 | Confident | 202 Ų | 202 | 96.9 Ų | 96.9 | 76% | 0.762 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.3 | -33.5 | 172 | -169.2 | 176.5 | -70.6 | -174.6 | -2.4 | 111.9 | L14 I15 D16 | R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 3.3Å; R12-I15 WeakPolarHBondContact O-CB 3.19Å; R12-I15 PolarHBondContact O-N 2.9Å; R12-I15 VanDerWaalsContact O-N 3.15Å; R12-D16 VanDerWaalsContact O-CG 3.23Å; R12-D16 PolarHBondContact O-N 3.45Å |
| 13 | K | 86.6 | Confident | 84.8 | Confident | 116 Ų | 116 | 97.1 Ų | 97.1 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -35.2 | 176.3 | -169.9 | 172.8 | -174.4 | 173.1 | 0 | 113.3 | M1 S11 R17 | M1-K13 HydrophobicContact CE-CD 4.26Å; S11-K13 PolarHBondContact O-N 2.85Å; S11-K13 VanDerWaalsContact O-N 3.15Å; K13-R17 WeakPolarHBondContact O-CG 3.38Å; K13-R17 PolarHBondContact O-N 3.27Å |
| 14 | L | 85.6 | Confident | 85.5 | Confident | 29 Ų | 29 | 100.4 Ų | 100.4 | 15% | 0.152 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -70.5 | -45.6 | 175.1 | -179.8 | 67.6 | 0 | 0 | 0 | 110.5 | W5 S11 R12 D16 R17 A18 M30 | W5-L14 HydrophobicContact CH2-CD2 3.79Å; W5-L14 HydrophobicContact CZ3-CD2 3.57Å; S11-L14 WeakPolarHBondContact O-CB 3.46Å; S11-L14 PolarHBondContact O-N 3.27Å; S11-L14 PolarHBondContact OG-N 2.99Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 3.3Å; L14-D16 PolarHBondContact O-N 2.94Å; L14-R17 PolarHBondContact O-N 3.44Å; L14-A18 PolarHBondContact O-N 3.36Å; L14-M30 HydrophobicContact CD1-CE 3.96Å; L14-M30 HydrophobicContact CD1-SD 4.3Å |
| 15 | I | 86.8 | Confident | 86 | Confident | 86 Ų | 86 | 102.3 Ų | 102.3 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 178 | -60.8 | 173.8 | 0 | 0 | 0 | 110 | S11 R12 R17 A18 Y19 | S11-I15 PolarHBondContact O-N 3.47Å; R12-I15 WeakPolarHBondContact O-CB 3.19Å; R12-I15 PolarHBondContact O-N 2.9Å; R12-I15 VanDerWaalsContact O-N 3.15Å; I15-R17 VanDerWaalsContact C-N 3.27Å; I15-R17 PolarHBondContact O-N 3.28Å; I15-A18 WeakPolarHBondContact O-CB 3.43Å; I15-A18 PolarHBondContact O-N 2.82Å; I15-A18 VanDerWaalsContact O-N 3.13Å; I15-Y19 HydrophobicContact CG2-CD2 3.7Å; I15-Y19 HydrophobicContact CG2-CE2 3.67Å; I15-Y19 WeakPolarHBondContact O-CD2 3.41Å; I15-Y19 PolarHBondContact O-N 3.25Å |
| 16 | D | 90.6 | Very high | 86.4 | Confident | 78 Ų | 78 | 102.6 Ų | 102.6 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 179.8 | -64.8 | -20.6 | 0 | 0 | 0 | 112.4 | R12 L14 K20 | R12-D16 VanDerWaalsContact O-CG 3.23Å; R12-D16 PolarHBondContact O-N 3.45Å; L14-D16 PolarHBondContact O-N 2.94Å; D16-K20 WeakPolarHBondContact O-CB 3.32Å; D16-K20 VanDerWaalsContact O-CG 3.3Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 2.9Å |
| 17 | R | 86.7 | Confident | 86.8 | Confident | 136 Ų | 136 | 101.2 Ų | 101.2 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.3 | -36.4 | 176.4 | -78.2 | -170.5 | 176.7 | -144.7 | -2.1 | 112.7 | K13 L14 I15 Y19 G21 | K13-R17 WeakPolarHBondContact O-CG 3.38Å; K13-R17 PolarHBondContact O-N 3.27Å; L14-R17 PolarHBondContact O-N 3.44Å; I15-R17 VanDerWaalsContact C-N 3.27Å; I15-R17 PolarHBondContact O-N 3.28Å; R17-Y19 VanDerWaalsContact C-N 3.33Å; R17-G21 CarbonylContact O-C 3.59Å; R17-G21 PolarHBondContact O-N 3.33Å; R17-G21 VanDerWaalsContact O-N 3.17Å |
| 18 | A | 84.6 | Confident | 87.1 | Confident | 50 Ų | 50 | 96.1 Ų | 96.1 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L14 I15 G21 | L14-A18 PolarHBondContact O-N 3.36Å; I15-A18 WeakPolarHBondContact O-CB 3.43Å; I15-A18 PolarHBondContact O-N 2.82Å; I15-A18 VanDerWaalsContact O-N 3.13Å; A18-G21 PolarHBondContact O-N 3.27Å |
| 19 | Y | 89.4 | Confident | 87.5 | Confident | 203 Ų | 203 | 96 Ų | 96 | 80% | 0.796 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 177.5 | -88.2 | -71.8 | 0 | 0 | 0 | 113.7 | I15 R17 G21 | I15-Y19 HydrophobicContact CG2-CD2 3.7Å; I15-Y19 HydrophobicContact CG2-CE2 3.67Å; I15-Y19 WeakPolarHBondContact O-CD2 3.41Å; I15-Y19 PolarHBondContact O-N 3.25Å; R17-Y19 VanDerWaalsContact C-N 3.33Å; Y19-G21 PolarHBondContact O-N 3.28Å |
| 20 | K | 91.6 | Very high | 87.8 | Confident | 187 Ų | 187 | 92.1 Ų | 92.1 | 81% | 0.813 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.6 | -13.3 | 176.8 | -71.9 | 177.6 | -177.6 | -175.1 | 0 | 113.4 | D16 | D16-K20 WeakPolarHBondContact O-CB 3.32Å; D16-K20 VanDerWaalsContact O-CG 3.3Å; D16-K20 WeakPolarHBondContact O-CG 3.38Å; D16-K20 PolarHBondContact O-N 2.9Å |
| 21 | G | 87.5 | Confident | 88 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 47% | 0.474 | 46% | 0.462 | S | S | . | . | trans | 100.1 | 136.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R17 A18 Y19 | R17-G21 CarbonylContact O-C 3.59Å; R17-G21 PolarHBondContact O-N 3.33Å; R17-G21 VanDerWaalsContact O-N 3.17Å; A18-G21 PolarHBondContact O-N 3.27Å; Y19-G21 PolarHBondContact O-N 3.28Å | ||
| 22 | M | 86.9 | Confident | 88 | Confident | 25 Ų | 25 | 93.8 Ų | 93.8 | 12% | 0.123 | 47% | 0.466 | C | S | . | . | trans | -86.1 | 138.7 | 180 | -63.2 | -176.2 | -77.3 | 0 | 0 | 111.2 | M24 R27 M30 W31 | M22-M24 PolarHBondContact O-N 3Å; M22-R27 HydrophobicContact CE-CG 4.4Å; M22-R27 PolarHBondContact O-NH2 2.89Å; M22-M30 HydrophobicContact SD-CB 3.77Å; M22-M30 HydrophobicContact SD-CG 3.37Å; M22-M30 WeakPolarHBondContact SD-CG 3.49Å; M22-W31 HydrophobicContact CE-CD2 3.86Å; M22-W31 HydrophobicContact CE-CG 4.24Å; M22-W31 HydrophobicContact CE-CH2 4.27Å; M22-W31 HydrophobicContact CE-CZ2 3.48Å; M22-W31 VanDerWaalsContact CE-CZ2 3.48Å; M22-W31 VanDerWaalsContact CE-NE1 3.29Å | ||
| 23 | P | 89.2 | Confident | 87.9 | Confident | 70 Ų | 70 | 86.3 Ų | 86.3 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | trans | -52.6 | 139.5 | 170.6 | -22.9 | 31.2 | 0 | 0 | 0 | 111.4 | N25 I26 R27 | P23-N25 VanDerWaalsContact C-N 3.3Å; P23-N25 WeakPolarHBondContact CB-OD1 3.4Å; P23-N25 PolarHBondContact O-N 3.25Å; P23-I26 HydrophobicContact CB-CD1 4.43Å; P23-I26 HydrophobicContact CB-CG1 4.1Å; P23-I26 HydrophobicContact CG-CD1 4.11Å; P23-I26 HydrophobicContact CG-CG1 4.28Å; P23-I26 WeakPolarHBondContact O-CG1 3.47Å; P23-I26 PolarHBondContact O-N 3.42Å; P23-R27 PolarHBondContact O-N 2.9Å | ||
| 24 | M | 88.9 | Confident | 87.9 | Confident | 147 Ų | 147 | 84.1 Ų | 84.1 | 72% | 0.724 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -58.9 | -41.7 | -172.2 | -169.6 | 65.1 | 146.3 | 0 | 0 | 112.5 | M22 I26 R27 | M22-M24 PolarHBondContact O-N 3Å; M24-I26 VanDerWaalsContact C-N 3.26Å; M24-I26 PolarHBondContact O-N 3.24Å; M24-R27 WeakPolarHBondContact O-CB 3.37Å; M24-R27 PolarHBondContact O-N 3.32Å; M24-R27 PolarHBondContact SD-NH1 3.34Å |
| 25 | N | 88.6 | Confident | 88.1 | Confident | 133 Ų | 133 | 88 Ų | 88 | 71% | 0.711 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -63.7 | -24.8 | -177.9 | 62.6 | -29.3 | 0 | 0 | 0 | 114.4 | P23 | P23-N25 VanDerWaalsContact C-N 3.3Å; P23-N25 WeakPolarHBondContact CB-OD1 3.4Å; P23-N25 PolarHBondContact O-N 3.25Å |
| 26 | I | 87.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 32% | 0.323 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -108.4 | -0.1 | -179.7 | 69.6 | 173.4 | 0 | 0 | 0 | 113.3 | P23 M24 G28 P29 M30 | P23-I26 HydrophobicContact CB-CD1 4.43Å; P23-I26 HydrophobicContact CB-CG1 4.1Å; P23-I26 HydrophobicContact CG-CD1 4.11Å; P23-I26 HydrophobicContact CG-CG1 4.28Å; P23-I26 WeakPolarHBondContact O-CG1 3.47Å; P23-I26 PolarHBondContact O-N 3.42Å; M24-I26 VanDerWaalsContact C-N 3.26Å; M24-I26 PolarHBondContact O-N 3.24Å; I26-G28 PolarHBondContact O-N 3.45Å; I26-P29 WeakPolarHBondContact O-CD 3.44Å; I26-M30 WeakPolarHBondContact O-CB 3.45Å; I26-M30 PolarHBondContact O-N 2.98Å |
| 27 | R | 88.6 | Confident | 88.1 | Confident | 100 Ų | 100 | 86.6 Ų | 86.6 | 38% | 0.377 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | -172 | -170.8 | 171.2 | -65.1 | 159.2 | 2.2 | 112.2 | M22 P23 M24 M30 W31 | M22-R27 HydrophobicContact CE-CG 4.4Å; M22-R27 PolarHBondContact O-NH2 2.89Å; P23-R27 PolarHBondContact O-N 2.9Å; M24-R27 WeakPolarHBondContact O-CB 3.37Å; M24-R27 PolarHBondContact O-N 3.32Å; M24-R27 PolarHBondContact SD-NH1 3.34Å; R27-M30 PolarHBondContact O-N 3.17Å; R27-W31 WeakPolarHBondContact O-CB 3.48Å; R27-W31 PolarHBondContact O-N 3.23Å |
| 28 | G | 89.4 | Confident | 88.2 | Confident | 50 Ų | 50 | 87.4 Ų | 87.4 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.4 | -59 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I26 M30 W31 S32 | I26-G28 PolarHBondContact O-N 3.45Å; G28-M30 VanDerWaalsContact C-N 3.29Å; G28-M30 PolarHBondContact O-N 2.92Å; G28-W31 PolarHBondContact O-N 3.03Å; G28-S32 PolarHBondContact O-N 3.29Å; G28-S32 PolarHBondContact O-OG 3.14Å |
| 29 | P | 87.7 | Confident | 88.4 | Confident | 67 Ų | 67 | 88.9 Ų | 88.9 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 177.3 | -28 | 35.2 | 0 | 0 | 0 | 114.5 | L2 I26 S32 V33 | L2-P29 HydrophobicContact CD1-CB 4.16Å; I26-P29 WeakPolarHBondContact O-CD 3.44Å; P29-S32 WeakPolarHBondContact CA-OG 3.38Å; P29-S32 PolarHBondContact O-OG 3.4Å; P29-V33 WeakPolarHBondContact O-CG2 3.1Å; P29-V33 PolarHBondContact O-N 2.64Å |
| 30 | M | 86.7 | Confident | 88.5 | Confident | 15 Ų | 15 | 83.7 Ų | 83.7 | 7% | 0.074 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 179.2 | -164 | 74.3 | -114.8 | 0 | 0 | 111.4 | L2 W5 L14 M22 I26 R27 G28 V33 L34 | L2-M30 HydrophobicContact CD2-CE 3.95Å; L2-M30 HydrophobicContact CD2-SD 4.01Å; L2-M30 HydrophobicContact CG-SD 4.39Å; W5-M30 HydrophobicContact CE3-CE 3.97Å; W5-M30 HydrophobicContact CH2-CE 3.94Å; W5-M30 HydrophobicContact CZ3-CE 3.27Å; L14-M30 HydrophobicContact CD1-CE 3.96Å; L14-M30 HydrophobicContact CD1-SD 4.3Å; M22-M30 HydrophobicContact SD-CB 3.77Å; M22-M30 HydrophobicContact SD-CG 3.37Å; M22-M30 WeakPolarHBondContact SD-CG 3.49Å; I26-M30 WeakPolarHBondContact O-CB 3.45Å; I26-M30 PolarHBondContact O-N 2.98Å; R27-M30 PolarHBondContact O-N 3.17Å; G28-M30 VanDerWaalsContact C-N 3.29Å; G28-M30 PolarHBondContact O-N 2.92Å; M30-V33 PolarHBondContact O-N 2.6Å; M30-L34 HydrophobicContact CE-CG 4.23Å; M30-L34 HydrophobicContact CG-CD1 4.15Å; M30-L34 WeakPolarHBondContact O-CB 3.37Å; M30-L34 WeakPolarHBondContact O-CG 3.44Å; M30-L34 PolarHBondContact O-N 3.28Å |
| 31 | W | 87.8 | Confident | 88.5 | Confident | 123 Ų | 123 | 80.2 Ų | 80.2 | 47% | 0.466 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 174.9 | -77.5 | 124.4 | 0 | 0 | 0 | 112.5 | M22 R27 G28 V33 L34 L35 | M22-W31 HydrophobicContact CE-CD2 3.86Å; M22-W31 HydrophobicContact CE-CG 4.24Å; M22-W31 HydrophobicContact CE-CH2 4.27Å; M22-W31 HydrophobicContact CE-CZ2 3.48Å; M22-W31 VanDerWaalsContact CE-CZ2 3.48Å; M22-W31 VanDerWaalsContact CE-NE1 3.29Å; R27-W31 WeakPolarHBondContact O-CB 3.48Å; R27-W31 PolarHBondContact O-N 3.23Å; G28-W31 PolarHBondContact O-N 3.03Å; W31-V33 PolarHBondContact O-N 3.48Å; W31-L34 HydrophobicContact CE3-CB 4.34Å; W31-L34 HydrophobicContact CE3-CD1 4.01Å; W31-L34 HydrophobicContact CZ3-CD1 4.21Å; W31-L34 PolarHBondContact O-N 2.97Å; W31-L35 HydrophobicContact CE3-CD1 4.29Å; W31-L35 HydrophobicContact CE3-CG 4.3Å; W31-L35 WeakPolarHBondContact O-CB 3.4Å; W31-L35 WeakPolarHBondContact O-CG 3.3Å; W31-L35 PolarHBondContact O-N 3.13Å |
| 32 | S | 88.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 30% | 0.301 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 177.9 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | G28 P29 N36 I37 | G28-S32 PolarHBondContact O-N 3.29Å; G28-S32 PolarHBondContact O-OG 3.14Å; P29-S32 WeakPolarHBondContact CA-OG 3.38Å; P29-S32 PolarHBondContact O-OG 3.4Å; S32-N36 PolarHBondContact O-N 2.88Å; S32-I37 PolarHBondContact O-N 3.19Å |
| 33 | V | 87.4 | Confident | 89 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 28% | 0.279 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.8 | -44.7 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L2 W5 P29 M30 W31 L35 N36 | L2-V33 HydrophobicContact CD2-CB 4.08Å; L2-V33 HydrophobicContact CD2-CG1 4.3Å; L2-V33 HydrophobicContact CD2-CG2 3.79Å; W5-V33 HydrophobicContact CB-CG1 4.49Å; W5-V33 HydrophobicContact CD2-CG1 3.18Å; W5-V33 HydrophobicContact CE3-CG1 3.58Å; W5-V33 HydrophobicContact CG-CG1 3.61Å; W5-V33 HydrophobicContact CH2-CG1 3.95Å; W5-V33 HydrophobicContact CZ2-CG1 3.58Å; W5-V33 HydrophobicContact CZ3-CG1 3.97Å; P29-V33 WeakPolarHBondContact O-CG2 3.1Å; P29-V33 PolarHBondContact O-N 2.64Å; M30-V33 PolarHBondContact O-N 2.6Å; W31-V33 PolarHBondContact O-N 3.48Å; V33-L35 VanDerWaalsContact C-N 3.34Å; V33-L35 PolarHBondContact O-N 3.2Å; V33-N36 PolarHBondContact O-N 3.32Å |
| 34 | L | 86.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 88.7 Ų | 88.7 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 178 | -80.3 | 166 | 0 | 0 | 0 | 113.2 | W5 M30 W31 N36 | W5-L34 HydrophobicContact CH2-CD2 3.74Å; W5-L34 HydrophobicContact CH2-CG 4.19Å; W5-L34 HydrophobicContact CZ2-CD2 4.48Å; M30-L34 HydrophobicContact CE-CG 4.23Å; M30-L34 HydrophobicContact CG-CD1 4.15Å; M30-L34 WeakPolarHBondContact O-CB 3.37Å; M30-L34 WeakPolarHBondContact O-CG 3.44Å; M30-L34 PolarHBondContact O-N 3.28Å; W31-L34 HydrophobicContact CE3-CB 4.34Å; W31-L34 HydrophobicContact CE3-CD1 4.01Å; W31-L34 HydrophobicContact CZ3-CD1 4.21Å; W31-L34 PolarHBondContact O-N 2.97Å; L34-N36 VanDerWaalsContact C-N 3.31Å |
| 35 | L | 89.3 | Confident | 89 | Confident | 109 Ų | 109 | 87.2 Ų | 87.2 | 57% | 0.571 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.8 | -179.2 | -61.5 | 173.3 | 0 | 0 | 0 | 112.7 | W31 V33 I37 | W31-L35 HydrophobicContact CE3-CD1 4.29Å; W31-L35 HydrophobicContact CE3-CG 4.3Å; W31-L35 WeakPolarHBondContact O-CB 3.4Å; W31-L35 WeakPolarHBondContact O-CG 3.3Å; W31-L35 PolarHBondContact O-N 3.13Å; V33-L35 VanDerWaalsContact C-N 3.34Å; V33-L35 PolarHBondContact O-N 3.2Å; L35-I37 HydrophobicContact CB-CD1 4.49Å; L35-I37 HydrophobicContact CB-CG1 3.95Å; L35-I37 PolarHBondContact O-N 3.17Å |
| 36 | N | 89.3 | Confident | 88.8 | Confident | 76 Ų | 76 | 83.6 Ų | 83.6 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 45.6 | 178.7 | -159.8 | 13.8 | 0 | 0 | 0 | 112.9 | S32 V33 L34 E38 E39 M40 | S32-N36 PolarHBondContact O-N 2.88Å; V33-N36 PolarHBondContact O-N 3.32Å; L34-N36 VanDerWaalsContact C-N 3.31Å; N36-E38 PolarHBondContact O-N 3Å; N36-E39 PolarHBondContact ND2-OE2 3.31Å; N36-E39 PolarHBondContact O-N 2.99Å; N36-E39 WeakPolarHBondContact OD1-CB 3.33Å; N36-M40 PolarHBondContact O-N 2.86Å; N36-M40 VanDerWaalsContact O-N 3.14Å |
| 37 | I | 89.4 | Confident | 88.8 | Confident | 60 Ų | 60 | 88.8 Ų | 88.8 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -32.9 | -173.4 | -65 | -172.7 | 0 | 0 | 0 | 111.1 | S32 L35 M40 K41 | S32-I37 PolarHBondContact O-N 3.19Å; L35-I37 HydrophobicContact CB-CD1 4.49Å; L35-I37 HydrophobicContact CB-CG1 3.95Å; L35-I37 PolarHBondContact O-N 3.17Å; I37-M40 PolarHBondContact O-N 3.27Å; I37-K41 HydrophobicContact CG2-CD 4.12Å; I37-K41 HydrophobicContact CG2-CG 4.24Å; I37-K41 WeakPolarHBondContact O-CB 3.46Å; I37-K41 WeakPolarHBondContact O-CG 3.36Å; I37-K41 PolarHBondContact O-N 3.21Å |
| 38 | E | 87.3 | Confident | 88.4 | Confident | 153 Ų | 153 | 89.3 Ų | 89.3 | 72% | 0.715 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 178.5 | -169.4 | 170.4 | -168 | 0 | 0 | 111.6 | N36 M40 K41 L42 | N36-E38 PolarHBondContact O-N 3Å; E38-M40 VanDerWaalsContact C-N 3.32Å; E38-M40 PolarHBondContact O-N 3.26Å; E38-K41 PolarHBondContact O-N 2.86Å; E38-L42 WeakPolarHBondContact O-CG 3.46Å; E38-L42 PolarHBondContact O-N 3.15Å |
| 39 | E | 90.3 | Very high | 87.3 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 174.4 | -171.6 | 178.6 | 150.2 | 0 | 0 | 111.7 | N36 K41 L42 K43 | N36-E39 PolarHBondContact ND2-OE2 3.31Å; N36-E39 PolarHBondContact O-N 2.99Å; N36-E39 WeakPolarHBondContact OD1-CB 3.33Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 3.48Å; E39-L42 PolarHBondContact O-N 3.39Å; E39-K43 HydrophobicContact CG-CD 4.31Å; E39-K43 WeakPolarHBondContact O-CG 3.34Å; E39-K43 PolarHBondContact O-N 3.25Å; E39-K43 WeakPolarHBondContact OE1-CE 3.38Å; E39-K43 IonicContact OE1-NZ 2.6Å; E39-K43 PolarHBondContact OE1-NZ 3.18Å |
| 40 | M | 91 | Very high | 87.3 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 176.9 | -74.7 | -69.7 | -73.8 | 0 | 0 | 112.8 | N36 I37 E38 N44 | N36-M40 PolarHBondContact O-N 2.86Å; N36-M40 VanDerWaalsContact O-N 3.14Å; I37-M40 PolarHBondContact O-N 3.27Å; E38-M40 VanDerWaalsContact C-N 3.32Å; E38-M40 PolarHBondContact O-N 3.26Å; M40-N44 PolarHBondContact O-N 2.95Å; M40-N44 PolarHBondContact O-ND2 2.99Å |
| 41 | K | 90.7 | Very high | 87.3 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.3 | -75.8 | 179.7 | 174.7 | -169.6 | 0 | 111.5 | I37 E38 E39 K43 N44 | I37-K41 HydrophobicContact CG2-CD 4.12Å; I37-K41 HydrophobicContact CG2-CG 4.24Å; I37-K41 WeakPolarHBondContact O-CB 3.46Å; I37-K41 WeakPolarHBondContact O-CG 3.36Å; I37-K41 PolarHBondContact O-N 3.21Å; E38-K41 PolarHBondContact O-N 2.86Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 3.48Å; K41-K43 VanDerWaalsContact C-N 3.33Å; K41-K43 PolarHBondContact O-N 2.87Å; K41-N44 CarbonylContact O-C 3.43Å; K41-N44 VanDerWaalsContact O-C 3.31Å; K41-N44 PolarHBondContact O-N 3.13Å; K41-N44 VanDerWaalsContact O-N 3.16Å |
| 42 | L | 91.4 | Very high | 87.3 | Confident | 135 Ų | 135 | 103.3 Ų | 103.3 | 71% | 0.707 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 176.9 | -72.2 | 168.6 | 0 | 0 | 0 | 112.3 | E38 E39 N44 | E38-L42 WeakPolarHBondContact O-CG 3.46Å; E38-L42 PolarHBondContact O-N 3.15Å; E39-L42 PolarHBondContact O-N 3.39Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 2.78Å |
| 43 | K | 93.5 | Very high | 87.2 | Confident | 136 Ų | 136 | 106.8 Ų | 106.8 | 59% | 0.591 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.6 | -18.4 | 176.5 | -72.4 | 178.5 | -178.2 | 174.6 | 0 | 114.1 | E39 K41 | E39-K43 HydrophobicContact CG-CD 4.31Å; E39-K43 WeakPolarHBondContact O-CG 3.34Å; E39-K43 PolarHBondContact O-N 3.25Å; E39-K43 WeakPolarHBondContact OE1-CE 3.38Å; E39-K43 IonicContact OE1-NZ 2.6Å; E39-K43 PolarHBondContact OE1-NZ 3.18Å; K41-K43 VanDerWaalsContact C-N 3.33Å; K41-K43 PolarHBondContact O-N 2.87Å |
| 44 | N | 91.9 | Very high | 87.2 | Confident | 48 Ų | 48 | 110.6 Ų | 110.6 | 26% | 0.257 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -129.7 | 66.8 | -175.4 | -64.1 | -93.8 | 0 | 0 | 0 | 111 | M40 K41 L42 G46 R47 Y48 | M40-N44 PolarHBondContact O-N 2.95Å; M40-N44 PolarHBondContact O-ND2 2.99Å; K41-N44 CarbonylContact O-C 3.43Å; K41-N44 VanDerWaalsContact O-C 3.31Å; K41-N44 PolarHBondContact O-N 3.13Å; K41-N44 VanDerWaalsContact O-N 3.16Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 2.78Å; N44-G46 PolarHBondContact O-N 3.17Å; N44-R47 HydrophobicContact CB-CB 4.16Å; N44-R47 PolarHBondContact O-N 2.63Å; N44-Y48 HydrophobicContact CB-CD2 4Å; N44-Y48 HydrophobicContact CB-CE2 3.68Å |
| 45 | P | 87.6 | Confident | 87.3 | Confident | 115 Ų | 115 | 113.3 Ų | 113.3 | 75% | 0.747 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 135.1 | 179.8 | 25.2 | -33.4 | 0 | 0 | 0 | 111 | R47 | P45-R47 VanDerWaalsContact C-N 3.28Å; P45-R47 PolarHBondContact O-N 3.15Å |
| 46 | G | 84.6 | Confident | 87.1 | Confident | 57 Ų | 57 | 113.6 Ų | 113.6 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.1 | -9.1 | 176 | 0 | 0 | 0 | 0 | 0 | 116.7 | N44 | N44-G46 PolarHBondContact O-N 3.17Š|
| 47 | R | 86.6 | Confident | 86.9 | Confident | 173 Ų | 173 | 116.5 Ų | 116.5 | 65% | 0.653 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -28.6 | -179.5 | -172.6 | 173.9 | 178.7 | 179.1 | 0.6 | 114 | N44 P45 | N44-R47 HydrophobicContact CB-CB 4.16Å; N44-R47 PolarHBondContact O-N 2.63Å; P45-R47 VanDerWaalsContact C-N 3.28Å; P45-R47 PolarHBondContact O-N 3.15Å |
| 48 | Y | 79.4 | Confident | 86.7 | Confident | 110 Ų | 110 | 121.3 Ų | 121.3 | 43% | 0.431 | 60% | 0.595 | S | S | . | * | trans | -124.7 | 28 | -172.2 | -54.6 | -68.8 | 0 | 0 | 0 | 112.6 | N44 | N44-Y48 HydrophobicContact CB-CD2 4Å; N44-Y48 HydrophobicContact CB-CE2 3.68Å | ||
| 49 | Q | 66.7 | Low | 86.7 | Confident | 239 Ų | 239 | 118.4 Ų | 118.4 | 100% | 1.117 | 58% | 0.584 | S | S | * | * | trans | -75.9 | 0 | 168.8 | -79.5 | -175.7 | -26.4 | 0 | 0 | 110.8 |
Retrieved 49 of 49 residues in 69.5 ms
(Link to these results)