| 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 | 68.6 | Low | 75.7 | Confident | 156 Ų | 156 | 70.6 Ų | 70.6 | 77% | 0.768 | 38% | 0.382 | S | S | * | . | 0 | 128 | 0 | -179.4 | 176.8 | 81 | 0 | 0 | 107.4 | V3 N42 | M1-V3 HydrophobicContact CE-CG2 4.06Å; M1-V3 HydrophobicContact CG-CG2 4.29Å; M1-N42 WeakPolarHBondContact CG-ND2 3.32Å | |||
| 2 | V | 77.1 | Confident | 75.6 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.2 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | V21 V25 I28 V40 N42 | V2-V21 HydrophobicContact CG1-CG1 3.84Å; V2-V25 HydrophobicContact CB-CG2 4.03Å; V2-V25 HydrophobicContact CG1-CG2 4.43Å; V2-V25 HydrophobicContact CG2-CG2 3.94Å; V2-I28 HydrophobicContact CG2-CD1 4.41Å; V2-V40 HydrophobicContact CG2-CG1 4.33Å; V2-V40 PolarHBondContact N-O 3.13Å; V2-N42 PolarHBondContact O-N 2.83Å |
| 3 | V | 79.4 | Confident | 75.9 | Confident | 79 Ų | 79 | 78.4 Ų | 78.4 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.1 | -178.4 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | M1 N42 L44 | M1-V3 HydrophobicContact CE-CG2 4.06Å; M1-V3 HydrophobicContact CG-CG2 4.29Å; V3-N42 CarbonylContact C-O 3.54Å; V3-N42 WeakPolarHBondContact CA-O 3.49Å; V3-N42 HydrophobicContact CG2-CB 4.35Å; V3-L44 HydrophobicContact CG1-CB 3.96Å |
| 4 | L | 79.3 | Confident | 76.1 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.6 | 175.4 | -177.9 | 62.6 | 0 | 0 | 0 | 110 | A8 L9 I17 L18 V21 N42 I43 L44 | L4-A8 HydrophobicContact CD1-CB 3.96Å; L4-L9 HydrophobicContact CD2-CD1 4.18Å; L4-L9 HydrophobicContact CD2-CD2 3.9Å; L4-L9 HydrophobicContact CD2-CG 3.99Å; L4-I17 HydrophobicContact CD1-CG2 3.87Å; L4-I17 HydrophobicContact CD2-CG2 4.5Å; L4-L18 HydrophobicContact CD2-CD1 4.17Å; L4-V21 HydrophobicContact CD1-CG2 4.44Å; L4-N42 PolarHBondContact N-O 2.84Å; L4-I43 CarbonylContact O-C 3.57Å; L4-I43 WeakPolarHBondContact O-CA 3.44Å; L4-L44 PolarHBondContact O-N 3.48Å |
| 5 | G | 80 | Confident | 76.3 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S7 A8 | G5-S7 PolarHBondContact O-N 3.44Å; G5-S7 VanDerWaalsContact O-N 3.13Å; G5-A8 WeakPolarHBondContact O-CB 3.36Å; G5-A8 PolarHBondContact O-N 3.25Å |
| 6 | S | 75.4 | Confident | 76.6 | Confident | 9 Ų | 9 | 72.6 Ų | 72.6 | 6% | 0.063 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.5 | -23.6 | 176 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | A8 L9 L44 H45 R46 | S6-A8 VanDerWaalsContact C-N 3.33Å; S6-A8 PolarHBondContact O-N 2.97Å; S6-L9 PolarHBondContact O-N 3.3Å; S6-L44 WeakPolarHBondContact CB-O 3.49Å; S6-L44 PolarHBondContact N-O 2.59Å; S6-L44 PolarHBondContact OG-O 3.21Å; S6-H45 WeakPolarHBondContact OG-CA 3.34Å; S6-R46 PolarHBondContact OG-N 2.85Å |
| 7 | S | 74.6 | Confident | 77 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.2 | -30.3 | 173.5 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | G5 L9 Q10 | G5-S7 PolarHBondContact O-N 3.44Å; G5-S7 VanDerWaalsContact O-N 3.13Å; S7-L9 PolarHBondContact O-N 2.89Å; S7-Q10 PolarHBondContact O-N 3.38Å |
| 8 | A | 71.9 | Confident | 77.2 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.6 | -22.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L4 G5 S6 G14 | L4-A8 HydrophobicContact CD1-CB 3.96Å; G5-A8 WeakPolarHBondContact O-CB 3.36Å; G5-A8 PolarHBondContact O-N 3.25Å; S6-A8 VanDerWaalsContact C-N 3.33Å; S6-A8 PolarHBondContact O-N 2.97Å; A8-G14 WeakPolarHBondContact O-CA 3.28Å |
| 9 | L | 74.3 | Confident | 77.5 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -82.9 | -16.2 | 177 | -69.3 | 167.4 | 0 | 0 | 0 | 113.4 | L4 S6 S7 R11 L18 I43 | L4-L9 HydrophobicContact CD2-CD1 4.18Å; L4-L9 HydrophobicContact CD2-CD2 3.9Å; L4-L9 HydrophobicContact CD2-CG 3.99Å; S6-L9 PolarHBondContact O-N 3.3Å; S7-L9 PolarHBondContact O-N 2.89Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-L18 HydrophobicContact CD2-CB 3.87Å; L9-L18 HydrophobicContact CD2-CD1 4.04Å; L9-L18 HydrophobicContact CD2-CG 4.39Å; L9-I43 HydrophobicContact CD1-CD1 4.29Å; L9-I43 HydrophobicContact CD1-CG2 4.08Å |
| 10 | Q | 75.3 | Confident | 77.9 | Confident | 133 Ų | 133 | 70.6 Ų | 70.6 | 62% | 0.621 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -83.1 | -7.6 | 179.4 | -69.6 | 174.3 | 16.9 | 0 | 0 | 113.6 | S7 | S7-Q10 PolarHBondContact O-N 3.38Š|
| 11 | R | 76.3 | Confident | 78.2 | Confident | 153 Ų | 153 | 68.5 Ų | 68.5 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -79.6 | 157.1 | 176.7 | -65.5 | 166.3 | 51.4 | 117.5 | -2.9 | 110.2 | L9 D13 G14 | L9-R11 VanDerWaalsContact C-N 3.32Å; R11-D13 WeakPolarHBondContact CB-OD1 3.35Å; R11-D13 IonicContact CZ-OD1 3.64Å; R11-D13 IonicContact CZ-OD2 3.63Å; R11-D13 IonicContact NE-OD1 2.84Å; R11-D13 PolarHBondContact NE-OD1 3.48Å; R11-D13 IonicContact NE-OD2 3.56Å; R11-D13 IonicContact NH2-OD1 3.55Å; R11-D13 IonicContact NH2-OD2 2.84Å; R11-D13 PolarHBondContact NH2-OD2 3.22Å; R11-D13 PolarHBondContact O-N 2.95Å; R11-D13 VanDerWaalsContact O-N 3.1Å; R11-G14 WeakPolarHBondContact O-CA 3.46Å; R11-G14 PolarHBondContact O-N 3.01Å |
| 12 | D | 74.7 | Confident | 78.8 | Confident | 180 Ų | 180 | 62.9 Ų | 62.9 | 96% | 0.963 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.2 | 176.1 | -63.4 | -48.4 | 0 | 0 | 0 | 112.9 | ||
| 13 | D | 79.5 | Confident | 79.2 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 7.3 | 175.4 | 60.4 | -6.5 | 0 | 0 | 0 | 114 | R11 A15 A16 I17 | R11-D13 WeakPolarHBondContact CB-OD1 3.35Å; R11-D13 IonicContact CZ-OD1 3.64Å; R11-D13 IonicContact CZ-OD2 3.63Å; R11-D13 IonicContact NE-OD1 2.84Å; R11-D13 PolarHBondContact NE-OD1 3.48Å; R11-D13 IonicContact NE-OD2 3.56Å; R11-D13 IonicContact NH2-OD1 3.55Å; R11-D13 IonicContact NH2-OD2 2.84Å; R11-D13 PolarHBondContact NH2-OD2 3.22Å; R11-D13 PolarHBondContact O-N 2.95Å; R11-D13 VanDerWaalsContact O-N 3.1Å; D13-A15 VanDerWaalsContact C-N 3.29Å; D13-A15 PolarHBondContact O-N 3.35Å; D13-A16 WeakPolarHBondContact O-CB 3.33Å; D13-A16 PolarHBondContact O-N 3.41Å; D13-I17 WeakPolarHBondContact O-CG1 3.32Å; D13-I17 PolarHBondContact O-N 3.44Å |
| 14 | G | 78.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.5 | -37.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A8 R11 I17 L18 | A8-G14 WeakPolarHBondContact O-CA 3.28Å; R11-G14 WeakPolarHBondContact O-CA 3.46Å; R11-G14 PolarHBondContact O-N 3.01Å; G14-I17 PolarHBondContact O-N 3.47Å; G14-L18 PolarHBondContact O-N 3.03Å |
| 15 | A | 79.2 | Confident | 79.4 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 62% | 0.62 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D13 L18 V19 | D13-A15 VanDerWaalsContact C-N 3.29Å; D13-A15 PolarHBondContact O-N 3.35Å; A15-L18 PolarHBondContact O-N 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.02Å |
| 16 | A | 81.8 | Confident | 79.4 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D13 V19 A20 | D13-A16 WeakPolarHBondContact O-CB 3.33Å; D13-A16 PolarHBondContact O-N 3.41Å; A16-V19 PolarHBondContact O-N 3.48Å; A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 3.4Å |
| 17 | I | 82.5 | Confident | 79.7 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 23% | 0.231 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.5 | -64.9 | 168.1 | 0 | 0 | 0 | 110.3 | L4 D13 G14 V19 A20 V21 | L4-I17 HydrophobicContact CD1-CG2 3.87Å; L4-I17 HydrophobicContact CD2-CG2 4.5Å; D13-I17 WeakPolarHBondContact O-CG1 3.32Å; D13-I17 PolarHBondContact O-N 3.44Å; G14-I17 PolarHBondContact O-N 3.47Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.91Å; I17-A20 PolarHBondContact O-N 2.9Å; I17-V21 HydrophobicContact CG2-CG2 4.34Å; I17-V21 WeakPolarHBondContact O-CB 3.27Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.47Å; I17-V21 PolarHBondContact O-N 3.26Å |
| 18 | L | 80.9 | Confident | 79.9 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.3 | -173.7 | 71.3 | 0 | 0 | 0 | 111.6 | L4 L9 G14 A15 S22 | L4-L18 HydrophobicContact CD2-CD1 4.17Å; L9-L18 HydrophobicContact CD2-CB 3.87Å; L9-L18 HydrophobicContact CD2-CD1 4.04Å; L9-L18 HydrophobicContact CD2-CG 4.39Å; G14-L18 PolarHBondContact O-N 3.03Å; A15-L18 PolarHBondContact O-N 3.25Å; L18-S22 VanDerWaalsContact O-CB 3.26Å; L18-S22 WeakPolarHBondContact O-CB 3.26Å; L18-S22 PolarHBondContact O-N 3.27Å; L18-S22 PolarHBondContact O-OG 3.46Å |
| 19 | V | 83.9 | Confident | 80.1 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A15 A16 I17 V21 S22 N23 | A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.02Å; A16-V19 PolarHBondContact O-N 3.48Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.91Å; V19-V21 PolarHBondContact O-N 2.88Å; V19-S22 PolarHBondContact O-N 3.33Å; V19-N23 WeakPolarHBondContact O-CB 2.96Å; V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 PolarHBondContact O-ND2 2.78Å |
| 20 | A | 85.6 | Confident | 80.2 | Confident | 59 Ų | 59 | 82.8 Ų | 82.8 | 49% | 0.488 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A16 I17 N23 M24 | A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 3.4Å; I17-A20 PolarHBondContact O-N 2.9Å; A20-N23 PolarHBondContact O-N 2.94Å; A20-M24 PolarHBondContact O-N 3.38Å |
| 21 | V | 83.4 | Confident | 80.3 | Confident | 26 Ų | 26 | 82 Ų | 82 | 16% | 0.158 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | V2 L4 I17 V19 N23 M24 V25 M41 | V2-V21 HydrophobicContact CG1-CG1 3.84Å; L4-V21 HydrophobicContact CD1-CG2 4.44Å; I17-V21 HydrophobicContact CG2-CG2 4.34Å; I17-V21 WeakPolarHBondContact O-CB 3.27Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.47Å; I17-V21 PolarHBondContact O-N 3.26Å; V19-V21 PolarHBondContact O-N 2.88Å; V21-N23 PolarHBondContact O-N 3.47Å; V21-M24 PolarHBondContact O-N 2.93Å; V21-V25 HydrophobicContact CG1-CG2 4.37Å; V21-V25 WeakPolarHBondContact O-CB 3.29Å; V21-V25 VanDerWaalsContact O-CG2 3.29Å; V21-V25 WeakPolarHBondContact O-CG2 3.48Å; V21-V25 PolarHBondContact O-N 3.31Å; V21-M41 HydrophobicContact CG1-CE 4.13Å |
| 22 | S | 81.6 | Confident | 79.9 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 27% | 0.273 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | L18 V19 M24 V25 Q26 M41 | L18-S22 VanDerWaalsContact O-CB 3.26Å; L18-S22 WeakPolarHBondContact O-CB 3.26Å; L18-S22 PolarHBondContact O-N 3.27Å; L18-S22 PolarHBondContact O-OG 3.46Å; V19-S22 PolarHBondContact O-N 3.33Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 3.36Å; S22-V25 PolarHBondContact O-N 2.89Å; S22-Q26 WeakPolarHBondContact O-CG 3.49Å; S22-Q26 PolarHBondContact O-N 3.32Å; S22-M41 VanDerWaalsContact CA-CE 3.5Å; S22-M41 WeakPolarHBondContact OG-CE 3.47Å |
| 23 | N | 84.4 | Confident | 79.4 | Confident | 94 Ų | 94 | 74 Ų | 74 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 177.2 | -75.7 | -23.3 | 0 | 0 | 0 | 112.1 | V19 A20 V21 Q26 K27 | V19-N23 WeakPolarHBondContact O-CB 2.96Å; V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 PolarHBondContact O-ND2 2.78Å; A20-N23 PolarHBondContact O-N 2.94Å; V21-N23 PolarHBondContact O-N 3.47Å; N23-Q26 PolarHBondContact O-N 3.29Å; N23-K27 WeakPolarHBondContact O-CG 3.41Å; N23-K27 PolarHBondContact O-N 3.41Å |
| 24 | M | 82.1 | Confident | 78.7 | Confident | 122 Ų | 122 | 73 Ų | 73 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 177 | -160.2 | -177.7 | -106.3 | 0 | 0 | 111.3 | A20 V21 S22 K27 I28 | A20-M24 PolarHBondContact O-N 3.38Å; V21-M24 PolarHBondContact O-N 2.93Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 3.36Å; M24-K27 PolarHBondContact O-N 3.37Å; M24-I28 HydrophobicContact CG-CD1 4.28Å; M24-I28 VanDerWaalsContact O-CG1 3.28Å; M24-I28 WeakPolarHBondContact O-CG1 3.34Å; M24-I28 PolarHBondContact O-N 3.03Å |
| 25 | V | 81.4 | Confident | 77.9 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 5% | 0.048 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 176.6 | 168 | 0 | 0 | 0 | 0 | 112 | V2 V21 S22 I28 R29 V40 M41 | V2-V25 HydrophobicContact CB-CG2 4.03Å; V2-V25 HydrophobicContact CG1-CG2 4.43Å; V2-V25 HydrophobicContact CG2-CG2 3.94Å; V21-V25 HydrophobicContact CG1-CG2 4.37Å; V21-V25 WeakPolarHBondContact O-CB 3.29Å; V21-V25 VanDerWaalsContact O-CG2 3.29Å; V21-V25 WeakPolarHBondContact O-CG2 3.48Å; V21-V25 PolarHBondContact O-N 3.31Å; S22-V25 PolarHBondContact O-N 2.89Å; V25-I28 PolarHBondContact O-N 2.84Å; V25-R29 PolarHBondContact O-N 2.71Å; V25-V40 HydrophobicContact CB-CG1 4.35Å; V25-V40 HydrophobicContact CG1-CB 3.72Å; V25-V40 HydrophobicContact CG1-CG1 3.72Å; V25-V40 HydrophobicContact CG2-CG1 4.13Å; V25-M41 HydrophobicContact CB-CE 4.3Å; V25-M41 HydrophobicContact CG1-CB 4.26Å; V25-M41 HydrophobicContact CG2-CB 4.19Å; V25-M41 HydrophobicContact CG2-CE 4.09Å |
| 26 | Q | 80.9 | Confident | 77.1 | Confident | 98 Ų | 98 | 77 Ų | 77 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.7 | -70.4 | -63.2 | -25.8 | 0 | 0 | 111.4 | S22 N23 I28 R29 V30 | S22-Q26 WeakPolarHBondContact O-CG 3.49Å; S22-Q26 PolarHBondContact O-N 3.32Å; N23-Q26 PolarHBondContact O-N 3.29Å; Q26-I28 PolarHBondContact O-N 2.84Å; Q26-R29 PolarHBondContact O-N 2.87Å; Q26-V30 WeakPolarHBondContact O-CG2 3.4Å; Q26-V30 PolarHBondContact O-N 3.24Å |
| 27 | K | 81.9 | Confident | 76.2 | Confident | 151 Ų | 151 | 82.8 Ų | 82.8 | 66% | 0.657 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.6 | -47.6 | 174.1 | -74.5 | 177.9 | -179.1 | -176.8 | 0 | 111.4 | N23 M24 R29 V30 T31 | N23-K27 WeakPolarHBondContact O-CG 3.41Å; N23-K27 PolarHBondContact O-N 3.41Å; M24-K27 PolarHBondContact O-N 3.37Å; K27-R29 PolarHBondContact O-N 3Å; K27-V30 PolarHBondContact O-N 2.89Å; K27-T31 WeakPolarHBondContact O-CB 3.49Å; K27-T31 PolarHBondContact O-N 2.99Å; K27-T31 PolarHBondContact O-OG1 2.88Å |
| 28 | I | 78.2 | Confident | 75.5 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.8 | -67.3 | 164.7 | 0 | 0 | 0 | 110.9 | V2 M24 V25 Q26 V30 T31 T32 V40 | V2-I28 HydrophobicContact CG2-CD1 4.41Å; M24-I28 HydrophobicContact CG-CD1 4.28Å; M24-I28 VanDerWaalsContact O-CG1 3.28Å; M24-I28 WeakPolarHBondContact O-CG1 3.34Å; M24-I28 PolarHBondContact O-N 3.03Å; V25-I28 PolarHBondContact O-N 2.84Å; Q26-I28 PolarHBondContact O-N 2.84Å; I28-V30 VanDerWaalsContact C-N 3.33Å; I28-V30 PolarHBondContact O-N 3.01Å; I28-T31 PolarHBondContact O-N 2.98Å; I28-T32 PolarHBondContact O-N 2.88Å; I28-T32 PolarHBondContact O-OG1 3.27Å; I28-V40 HydrophobicContact CG2-CG1 4.4Å |
| 29 | R | 75.6 | Confident | 74.9 | Confident | 98 Ų | 98 | 93 Ų | 93 | 37% | 0.37 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 175.7 | -90.8 | -178.5 | 71.6 | -156.3 | 6.8 | 112.4 | V25 Q26 K27 G33 V40 | V25-R29 PolarHBondContact O-N 2.71Å; Q26-R29 PolarHBondContact O-N 2.87Å; K27-R29 PolarHBondContact O-N 3Å; R29-G33 PolarHBondContact O-N 3.1Å; R29-V40 HydrophobicContact CG-CG2 3.93Å |
| 30 | V | 76.3 | Confident | 74.4 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.8 | -38.8 | -179.3 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | Q26 K27 I28 | Q26-V30 WeakPolarHBondContact O-CG2 3.4Å; Q26-V30 PolarHBondContact O-N 3.24Å; K27-V30 PolarHBondContact O-N 2.89Å; I28-V30 VanDerWaalsContact C-N 3.33Å; I28-V30 PolarHBondContact O-N 3.01Å |
| 31 | T | 76.9 | Confident | 73.8 | Confident | 117 Ų | 117 | 89.4 Ų | 89.4 | 72% | 0.718 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.9 | -38.4 | -172.8 | -36.9 | 0 | 0 | 0 | 0 | 112.5 | K27 I28 | K27-T31 WeakPolarHBondContact O-CB 3.49Å; K27-T31 PolarHBondContact O-N 2.99Å; K27-T31 PolarHBondContact O-OG1 2.88Å; I28-T31 PolarHBondContact O-N 2.98Å |
| 32 | T | 68.1 | Low | 73.5 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -96.6 | 1.9 | -172 | -18.7 | 0 | 0 | 0 | 0 | 113.3 | I28 V34 | I28-T32 PolarHBondContact O-N 2.88Å; I28-T32 PolarHBondContact O-OG1 3.27Å; T32-V34 PolarHBondContact O-N 2.95Å |
| 33 | G | 63.8 | Low | 73.4 | Confident | 68 Ų | 68 | 92.1 Ų | 92.1 | 70% | 0.701 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 31.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R29 A35 | R29-G33 PolarHBondContact O-N 3.1Å; G33-A35 PolarHBondContact O-N 3.39Å |
| 34 | V | 64.8 | Low | 73 | Confident | 39 Ų | 39 | 93.2 Ų | 93.2 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | trans | -63.7 | 127 | -174.7 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | T32 A36 W38 V40 | T32-V34 PolarHBondContact O-N 2.95Å; V34-A36 PolarHBondContact O-N 2.83Å; V34-W38 HydrophobicContact CG1-CB 3.46Å; V34-W38 VanDerWaalsContact CG1-CB 3.46Å; V34-W38 HydrophobicContact CG1-CG 3.77Å; V34-V40 HydrophobicContact CG1-CG2 4.11Å | ||
| 35 | A | 62.5 | Low | 72.6 | Confident | 70 Ų | 70 | 90.6 Ų | 90.6 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | trans | -48.8 | 137.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | G33 E37 W38 | G33-A35 PolarHBondContact O-N 3.39Å; A35-E37 PolarHBondContact O-N 3.44Å; A35-W38 PolarHBondContact O-N 3.26Å | ||
| 36 | A | 62.5 | Low | 72.1 | Confident | 92 Ų | 92 | 101.3 Ų | 101.3 | 76% | 0.76 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V34 | V34-A36 PolarHBondContact O-N 2.83Š|
| 37 | E | 63.5 | Low | 71.6 | Confident | 187 Ų | 187 | 100.3 Ų | 100.3 | 87% | 0.874 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.5 | 175.3 | -78.7 | -161.3 | 129.3 | 0 | 0 | 114.9 | A35 K39 | A35-E37 PolarHBondContact O-N 3.44Å; E37-K39 PolarHBondContact O-N 3.5Å |
| 38 | W | 67.6 | Low | 70.8 | Confident | 159 Ų | 159 | 97.4 Ų | 97.4 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | trans | -81.2 | 114.1 | -174 | -172.6 | -96.3 | 0 | 0 | 0 | 111.4 | V34 A35 V40 | V34-W38 HydrophobicContact CG1-CB 3.46Å; V34-W38 VanDerWaalsContact CG1-CB 3.46Å; V34-W38 HydrophobicContact CG1-CG 3.77Å; A35-W38 PolarHBondContact O-N 3.26Å; W38-V40 PolarHBondContact O-N 3Å | ||
| 39 | K | 68.3 | Low | 70.4 | Confident | 164 Ų | 164 | 98.6 Ų | 98.6 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | trans | -73.1 | 96.2 | 176.2 | -62.9 | -167.6 | -178.4 | -176.9 | 0 | 110.4 | E37 | E37-K39 PolarHBondContact O-N 3.5Š| ||
| 40 | V | 72.4 | Confident | 69.8 | Low | 6 Ų | 6 | 96.3 Ų | 96.3 | 4% | 0.036 | 54% | 0.536 | C | S | . | . | trans | -73.9 | -30.4 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | V2 V25 I28 R29 V34 W38 | V2-V40 HydrophobicContact CG2-CG1 4.33Å; V2-V40 PolarHBondContact N-O 3.13Å; V25-V40 HydrophobicContact CB-CG1 4.35Å; V25-V40 HydrophobicContact CG1-CB 3.72Å; V25-V40 HydrophobicContact CG1-CG1 3.72Å; V25-V40 HydrophobicContact CG2-CG1 4.13Å; I28-V40 HydrophobicContact CG2-CG1 4.4Å; R29-V40 HydrophobicContact CG-CG2 3.93Å; V34-V40 HydrophobicContact CG1-CG2 4.11Å; W38-V40 PolarHBondContact O-N 3Å | ||
| 41 | M | 74 | Confident | 69.6 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 30% | 0.296 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.5 | 179.6 | -180 | -180 | -69.1 | 0 | 0 | 111.2 | V21 S22 V25 | V21-M41 HydrophobicContact CG1-CE 4.13Å; S22-M41 VanDerWaalsContact CA-CE 3.5Å; S22-M41 WeakPolarHBondContact OG-CE 3.47Å; V25-M41 HydrophobicContact CB-CE 4.3Å; V25-M41 HydrophobicContact CG1-CB 4.26Å; V25-M41 HydrophobicContact CG2-CB 4.19Å; V25-M41 HydrophobicContact CG2-CE 4.09Å |
| 42 | N | 76.6 | Confident | 69.2 | Low | 58 Ų | 58 | 90 Ų | 90 | 31% | 0.31 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.6 | 171.8 | -66.5 | -46.3 | 0 | 0 | 0 | 110 | M1 V2 V3 L4 | M1-N42 WeakPolarHBondContact CG-ND2 3.32Å; V2-N42 PolarHBondContact O-N 2.83Å; V3-N42 CarbonylContact C-O 3.54Å; V3-N42 WeakPolarHBondContact CA-O 3.49Å; V3-N42 HydrophobicContact CG2-CB 4.35Å; L4-N42 PolarHBondContact N-O 2.84Å |
| 43 | I | 78.5 | Confident | 69.3 | Low | 65 Ų | 65 | 86.9 Ų | 86.9 | 33% | 0.333 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.2 | 173.3 | -60.3 | 174.5 | 0 | 0 | 0 | 108 | L4 L9 H45 | L4-I43 CarbonylContact O-C 3.57Å; L4-I43 WeakPolarHBondContact O-CA 3.44Å; L9-I43 HydrophobicContact CD1-CD1 4.29Å; L9-I43 HydrophobicContact CD1-CG2 4.08Å; I43-H45 PolarHBondContact O-CD2 2.94Å |
| 44 | L | 77.6 | Confident | 69.6 | Low | 116 Ų | 116 | 87.2 Ų | 87.2 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 104.8 | 176.9 | -172.8 | 67.5 | 0 | 0 | 0 | 109.6 | V3 L4 S6 | V3-L44 HydrophobicContact CG1-CB 3.96Å; L4-L44 PolarHBondContact O-N 3.48Å; S6-L44 WeakPolarHBondContact CB-O 3.49Å; S6-L44 PolarHBondContact N-O 2.59Å; S6-L44 PolarHBondContact OG-O 3.21Å |
| 45 | H | 73.4 | Confident | 69.9 | Low | 67 Ų | 67 | 92 Ų | 92 | 31% | 0.31 | 50% | 0.496 | S | S | . | . | trans | -82.1 | 130.6 | 175.8 | -67.5 | -96.8 | 0 | 0 | 0 | 110.4 | S6 I43 V51 | S6-H45 WeakPolarHBondContact OG-CA 3.34Å; I43-H45 PolarHBondContact O-CD2 2.94Å; H45-V51 HydrophobicContact CB-CG2 3.55Å | ||
| 46 | R | 71.4 | Confident | 70.4 | Confident | 233 Ų | 233 | 94.7 Ų | 94.7 | 88% | 0.879 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -85.7 | -23.8 | 176 | -172.1 | 177.5 | 177.3 | -164.6 | -0.4 | 112.7 | S6 | S6-R46 PolarHBondContact OG-N 2.85Š|
| 47 | I | 69.6 | Low | 70.9 | Confident | 78 Ų | 78 | 93.4 Ų | 93.4 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | trans | -114.8 | 117 | -172.6 | -56.8 | 176.7 | 0 | 0 | 0 | 108.7 | S49 Q50 | I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 WeakPolarHBondContact CG2-OG 3.4Å; I47-S49 PolarHBondContact O-N 3.44Å; I47-Q50 HydrophobicContact CB-CB 3.86Å; I47-Q50 HydrophobicContact CG2-CB 4.03Å; I47-Q50 WeakPolarHBondContact O-CB 3.46Å; I47-Q50 PolarHBondContact O-N 3.07Å | ||
| 48 | A | 65.9 | Low | 71.2 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 74% | 0.736 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q50 V51 A52 | A48-Q50 VanDerWaalsContact C-N 3.26Å; A48-Q50 PolarHBondContact O-N 3.36Å; A48-V51 PolarHBondContact O-N 2.9Å; A48-A52 PolarHBondContact O-N 3.07Å |
| 49 | S | 69 | Low | 71.2 | Confident | 86 Ų | 86 | 94.3 Ų | 94.3 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68 | -23.6 | 176.6 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | I47 A52 A53 | I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 WeakPolarHBondContact CG2-OG 3.4Å; I47-S49 PolarHBondContact O-N 3.44Å; S49-A52 PolarHBondContact O-N 3.43Å; S49-A53 WeakPolarHBondContact O-CB 3.13Å; S49-A53 PolarHBondContact O-N 3.35Å |
| 50 | Q | 63.8 | Low | 71.1 | Confident | 50 Ų | 50 | 91 Ų | 91 | 23% | 0.234 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -72.3 | -32.5 | 178 | -169.1 | 173.4 | 9.5 | 0 | 0 | 111.8 | I47 A48 L54 | I47-Q50 HydrophobicContact CB-CB 3.86Å; I47-Q50 HydrophobicContact CG2-CB 4.03Å; I47-Q50 WeakPolarHBondContact O-CB 3.46Å; I47-Q50 PolarHBondContact O-N 3.07Å; A48-Q50 VanDerWaalsContact C-N 3.26Å; A48-Q50 PolarHBondContact O-N 3.36Å; Q50-L54 HydrophobicContact CG-CD1 4.42Å; Q50-L54 WeakPolarHBondContact O-CB 3.3Å; Q50-L54 WeakPolarHBondContact O-CD1 3.42Å; Q50-L54 VanDerWaalsContact O-CG 3.3Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.2Å |
| 51 | V | 71.7 | Confident | 70.4 | Confident | 56 Ų | 56 | 98 Ų | 98 | 34% | 0.339 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -46.6 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | H45 A48 A53 L54 D55 | H45-V51 HydrophobicContact CB-CG2 3.55Å; A48-V51 PolarHBondContact O-N 2.9Å; V51-A53 VanDerWaalsContact C-N 3.35Å; V51-A53 PolarHBondContact O-N 3.5Å; V51-L54 PolarHBondContact O-N 3.23Å; V51-D55 PolarHBondContact O-N 2.9Å |
| 52 | A | 68.7 | Low | 70.2 | Confident | 49 Ų | 49 | 100 Ų | 100 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.7 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A48 S49 D55 L56 | A48-A52 PolarHBondContact O-N 3.07Å; S49-A52 PolarHBondContact O-N 3.43Å; A52-D55 PolarHBondContact O-N 3.43Å; A52-L56 WeakPolarHBondContact O-CG 3.34Å; A52-L56 PolarHBondContact O-N 3.45Å |
| 53 | A | 70.6 | Confident | 69.9 | Low | 32 Ų | 32 | 102.2 Ų | 102.2 | 26% | 0.264 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.5 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S49 V51 L56 G57 Y58 | S49-A53 WeakPolarHBondContact O-CB 3.13Å; S49-A53 PolarHBondContact O-N 3.35Å; V51-A53 VanDerWaalsContact C-N 3.35Å; V51-A53 PolarHBondContact O-N 3.5Å; A53-L56 PolarHBondContact O-N 3.45Å; A53-G57 PolarHBondContact O-N 3.37Å; A53-Y58 WeakPolarHBondContact O-CB 3.37Å; A53-Y58 PolarHBondContact O-N 2.97Å |
| 54 | L | 69.2 | Low | 69.4 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 39% | 0.393 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.1 | -38 | 175.4 | -74.3 | 164.6 | 0 | 0 | 0 | 112 | Q50 V51 L56 G57 P60 | Q50-L54 HydrophobicContact CG-CD1 4.42Å; Q50-L54 WeakPolarHBondContact O-CB 3.3Å; Q50-L54 WeakPolarHBondContact O-CD1 3.42Å; Q50-L54 VanDerWaalsContact O-CG 3.3Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.2Å; V51-L54 PolarHBondContact O-N 3.23Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.27Å; L54-G57 PolarHBondContact O-N 3.35Å; L54-P60 HydrophobicContact CD2-CB 4.44Å; L54-P60 HydrophobicContact CD2-CG 4.14Å |
| 55 | D | 70.4 | Confident | 68.9 | Low | 139 Ų | 139 | 103.5 Ų | 103.5 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.8 | -34.4 | 174.7 | -78.8 | -18.5 | 0 | 0 | 0 | 112.3 | V51 A52 G57 | V51-D55 PolarHBondContact O-N 2.9Å; A52-D55 PolarHBondContact O-N 3.43Å; D55-G57 PolarHBondContact O-N 3.06Å |
| 56 | L | 73.3 | Confident | 68.6 | Low | 128 Ų | 128 | 105.8 Ų | 105.8 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -0.8 | 174.8 | -68.2 | 170 | 0 | 0 | 0 | 113.5 | A52 A53 L54 Y58 | A52-L56 WeakPolarHBondContact O-CG 3.34Å; A52-L56 PolarHBondContact O-N 3.45Å; A53-L56 PolarHBondContact O-N 3.45Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.27Å; L56-Y58 VanDerWaalsContact C-N 3.33Å; L56-Y58 HydrophobicContact CB-CD1 4.2Å; L56-Y58 HydrophobicContact CB-CE1 4.44Å |
| 57 | G | 74.1 | Confident | 68.5 | Low | 64 Ų | 64 | 97.3 Ų | 97.3 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.7 | 19.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A53 L54 D55 | A53-G57 PolarHBondContact O-N 3.37Å; L54-G57 PolarHBondContact O-N 3.35Å; D55-G57 PolarHBondContact O-N 3.06Å |
| 58 | Y | 69.1 | Low | 68.4 | Low | 163 Ų | 163 | 98.7 Ų | 98.7 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -71 | 143.1 | 175.8 | -77.8 | 20 | 0 | 0 | 0 | 109.9 | A53 L56 P60 | A53-Y58 WeakPolarHBondContact O-CB 3.37Å; A53-Y58 PolarHBondContact O-N 2.97Å; L56-Y58 VanDerWaalsContact C-N 3.33Å; L56-Y58 HydrophobicContact CB-CD1 4.2Å; L56-Y58 HydrophobicContact CB-CE1 4.44Å; Y58-P60 WeakPolarHBondContact O-CD 3.34Å |
| 59 | K | 67.6 | Low | 68.6 | Low | 203 Ų | 203 | 99.5 Ų | 99.5 | 88% | 0.883 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 124 | 177.7 | -71.1 | -177.6 | -179.3 | 176.1 | 0 | 109.1 | G61 | K59-G61 PolarHBondContact O-N 3.41Š|
| 60 | P | 66.6 | Low | 68.5 | Low | 94 Ų | 94 | 100.6 Ų | 100.6 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 129.1 | 170.8 | 26.3 | -31 | 0 | 0 | 0 | 109.3 | L54 Y58 | L54-P60 HydrophobicContact CD2-CB 4.44Å; L54-P60 HydrophobicContact CD2-CG 4.14Å; Y58-P60 WeakPolarHBondContact O-CD 3.34Å |
| 61 | G | 57.3 | Low | 69 | Low | 154 Ų | 154 | 105.2 Ų | 105.2 | 100% | 1.588 | 65% | 0.654 | S | S | * | * | trans | -171 | 0 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K59 | K59-G61 PolarHBondContact O-N 3.41Š|
Retrieved 61 of 61 residues in 34.7 ms
(Link to these results)