| 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 | 49.5 | Very low | 81.5 | Confident | 241 Ų | 241 | 91 Ų | 91 | 100% | 1.187 | 43% | 0.428 | S | S | * | . | 0 | 132 | 0 | -76.7 | 176.8 | -169.6 | 0 | 0 | 107.5 | |||||
| 2 | E | 58.7 | Low | 82.9 | Confident | 186 Ų | 186 | 91.9 Ų | 91.9 | 87% | 0.869 | 43% | 0.432 | S | S | * | . | trans | -65.7 | 132.5 | 175.8 | -150.3 | 174.4 | -174 | 0 | 0 | 108.7 | ||||
| 3 | K | 64.9 | Low | 84.1 | Confident | 133 Ų | 133 | 87.5 Ų | 87.5 | 58% | 0.578 | 42% | 0.417 | S | S | * | . | trans | -62.3 | 139.9 | 179.1 | -69.3 | -166.8 | -179.1 | -154 | 0 | 109.5 | R5 D59 | K3-R5 VanDerWaalsContact C-N 3.29Å; K3-R5 PolarHBondContact O-N 2.98Å; K3-D59 WeakPolarHBondContact CE-OD2 3.5Å; K3-D59 IonicContact NZ-OD2 2.85Å; K3-D59 PolarHBondContact NZ-OD2 3.42Å | ||
| 4 | L | 69.3 | Low | 85.1 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | trans | -66 | 84 | 179.8 | -166.2 | 85.7 | 0 | 0 | 0 | 110.3 | A7 C18 | L4-A7 HydrophobicContact CD2-CB 3.51Å; L4-A7 HydrophobicContact CG-CB 3.97Å; L4-C18 VanDerWaalsContact CD1-SG 3.51Å | ||
| 5 | R | 75.6 | Confident | 86 | Confident | 187 Ų | 187 | 88.7 Ų | 88.7 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | trans | -90.6 | 141.8 | 174.8 | -69 | -172.8 | 179.6 | -175 | 0.7 | 110.5 | K3 | K3-R5 VanDerWaalsContact C-N 3.29Å; K3-R5 PolarHBondContact O-N 2.98Å | ||
| 6 | D | 90.7 | Very high | 86.6 | Confident | 67 Ų | 67 | 88.1 Ų | 88.1 | 36% | 0.358 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 52.1 | 59.3 | -176.4 | -165.8 | 1.2 | 0 | 0 | 0 | 111.5 | R8 F19 | D6-R8 VanDerWaalsContact CG-NH2 3.33Å; D6-R8 PolarHBondContact O-N 3.35Å; D6-R8 IonicContact OD1-CZ 3.93Å; D6-R8 IonicContact OD1-NE 3.92Å; D6-R8 PolarHBondContact OD1-NE 3.39Å; D6-R8 IonicContact OD1-NH2 3.04Å; D6-R8 PolarHBondContact OD1-NH2 3.08Å; D6-R8 IonicContact OD2-CZ 2.69Å; D6-R8 IonicContact OD2-NE 2.8Å; D6-R8 IonicContact OD2-NH2 3.14Å; D6-R8 PolarHBondContact OD2-NH2 3.44Å; D6-F19 HydrophobicContact CB-CB 3.86Å; D6-F19 VanDerWaalsContact CG-CB 3.47Å; D6-F19 VanDerWaalsContact O-CB 3.24Å; D6-F19 WeakPolarHBondContact O-CB 3.39Å; D6-F19 PolarHBondContact O-N 3.33Å; D6-F19 WeakPolarHBondContact OD2-CB 3.46Å; D6-F19 WeakPolarHBondContact OD2-CD1 3.23Å; D6-F19 WeakPolarHBondContact OD2-CG 3.37Å |
| 7 | A | 95.8 | Very high | 87.1 | Confident | 4 Ų | 4 | 84.6 Ų | 84.6 | 3% | 0.033 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L4 L16 C17 C48 A51 | L4-A7 HydrophobicContact CD2-CB 3.51Å; L4-A7 HydrophobicContact CG-CB 3.97Å; A7-L16 HydrophobicContact CB-CD2 4.4Å; A7-C17 WeakPolarHBondContact CA-O 3.41Å; A7-C48 HydrophobicContact CB-CB 4.21Å; A7-C48 PolarHBondContact O-N 2.89Å; A7-A51 HydrophobicContact CB-CB 3.46Å; A7-A51 VanDerWaalsContact CB-CB 3.46Å |
| 8 | R | 97.7 | Very high | 87.5 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 15% | 0.147 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.3 | 177.9 | -59.6 | -58.7 | 171.2 | 143.9 | 3.4 | 111 | D6 L16 C17 F19 I22 L45 V46 | D6-R8 VanDerWaalsContact CG-NH2 3.33Å; D6-R8 PolarHBondContact O-N 3.35Å; D6-R8 IonicContact OD1-CZ 3.93Å; D6-R8 IonicContact OD1-NE 3.92Å; D6-R8 PolarHBondContact OD1-NE 3.39Å; D6-R8 IonicContact OD1-NH2 3.04Å; D6-R8 PolarHBondContact OD1-NH2 3.08Å; D6-R8 IonicContact OD2-CZ 2.69Å; D6-R8 IonicContact OD2-NE 2.8Å; D6-R8 IonicContact OD2-NH2 3.14Å; D6-R8 PolarHBondContact OD2-NH2 3.44Å; R8-L16 CarbonylContact O-C 3.41Å; R8-L16 VanDerWaalsContact O-CA 3.3Å; R8-L16 WeakPolarHBondContact O-CA 3.37Å; R8-C17 PolarHBondContact N-O 3.41Å; R8-C17 PolarHBondContact O-N 3.33Å; R8-C17 PolarHBondContact O-SG 3.15Å; R8-F19 HydrophobicContact CG-CB 3.79Å; R8-F19 HydrophobicContact CG-CD2 3.85Å; R8-F19 HydrophobicContact CG-CG 4.26Å; R8-I22 HydrophobicContact CB-CG2 4.24Å; R8-I22 HydrophobicContact CG-CG2 4.32Å; R8-L45 HydrophobicContact CB-CB 4.22Å; R8-L45 HydrophobicContact CB-CD1 4.33Å; R8-L45 HydrophobicContact CB-CD2 4.25Å; R8-L45 HydrophobicContact CG-CD1 4.45Å; R8-V46 VanDerWaalsContact CA-O 3.31Å; R8-V46 WeakPolarHBondContact CA-O 3.23Å |
| 9 | L | 98.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 79.6 Ų | 79.6 | 17% | 0.168 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.7 | 179.7 | 178.4 | 144.8 | 0 | 0 | 0 | 110.6 | S14 K15 L16 V46 C48 | L9-S14 WeakPolarHBondContact CD1-O 3.37Å; L9-K15 WeakPolarHBondContact CA-O 3.5Å; L9-L16 HydrophobicContact CB-CD2 4.08Å; L9-L16 HydrophobicContact CD1-CD2 4.31Å; L9-V46 HydrophobicContact CB-CB 4.27Å; L9-V46 HydrophobicContact CD2-CB 4.24Å; L9-V46 HydrophobicContact CD2-CG2 4.31Å; L9-V46 PolarHBondContact N-O 2.8Å; L9-V46 PolarHBondContact O-N 3.17Å; L9-C48 WeakPolarHBondContact CB-SG 3.44Å |
| 10 | C | 98.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 3% | 0.027 | 40% | 0.395 | C | S | . | . | trans | -71.7 | 125.9 | 171.8 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | H12 S14 K15 | C10-H12 PolarHBondContact O-N 2.95Å; C10-S14 VanDerWaalsContact O-CA 3.28Å; C10-S14 WeakPolarHBondContact O-CA 3.39Å; C10-S14 PolarHBondContact O-N 3.25Å; C10-K15 PolarHBondContact N-O 3.36Å | ||
| 11 | P | 98.4 | Very high | 88.6 | Confident | 58 Ų | 58 | 78 Ų | 78 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.6 | -178.6 | 28 | -35.9 | 0 | 0 | 0 | 113.7 | L40 E44 | P11-L40 HydrophobicContact CG-CD1 4.08Å; P11-E44 HydrophobicContact CG-CB 4.4Å |
| 12 | H | 98.4 | Very high | 90.8 | Very high | 102 Ų | 102 | 66.7 Ų | 66.7 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -32 | -177 | -56.5 | -61.6 | 0 | 0 | 0 | 114.2 | C10 A38 P39 | C10-H12 PolarHBondContact O-N 2.95Å; H12-A38 HydrophobicContact CB-CB 3.98Å; H12-P39 PolarHBondContact NE2-O 3.46Å |
| 13 | C | 98.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 64 Ų | 64 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 4.1 | -174.3 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | K15 C36 | C13-K15 PolarHBondContact O-N 2.98Å; C13-C36 HydrophobicContact CB-CB 3.65Å; C13-C36 VanDerWaalsContact SG-SG 3.63Å |
| 14 | S | 97.8 | Very high | 94.2 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | trans | 58.5 | 12.2 | 176.7 | -50.8 | 0 | 0 | 0 | 0 | 115.3 | L9 C10 | L9-S14 WeakPolarHBondContact CD1-O 3.37Å; C10-S14 VanDerWaalsContact O-CA 3.28Å; C10-S14 WeakPolarHBondContact O-CA 3.39Å; C10-S14 PolarHBondContact O-N 3.25Å | ||
| 15 | K | 97.9 | Very high | 95.5 | Very high | 111 Ų | 111 | 67 Ų | 67 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | trans | -70.3 | 135.5 | 174.7 | -77.7 | -65.5 | -170.7 | 179.6 | 0 | 111.1 | L9 C10 C13 H35 | L9-K15 WeakPolarHBondContact CA-O 3.5Å; C10-K15 PolarHBondContact N-O 3.36Å; C13-K15 PolarHBondContact O-N 2.98Å; K15-H35 HydrophobicContact CB-CB 4.39Å; K15-H35 WeakPolarHBondContact CE-NE2 3.47Å; K15-H35 HydrophobicContact CG-CB 4.07Å | ||
| 16 | L | 96.4 | Very high | 96.5 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 148.1 | 174.8 | -71 | 165.2 | 0 | 0 | 0 | 111.3 | A7 R8 L9 C48 | A7-L16 HydrophobicContact CB-CD2 4.4Å; R8-L16 CarbonylContact O-C 3.41Å; R8-L16 VanDerWaalsContact O-CA 3.3Å; R8-L16 WeakPolarHBondContact O-CA 3.37Å; L9-L16 HydrophobicContact CB-CD2 4.08Å; L9-L16 HydrophobicContact CD1-CD2 4.31Å; L16-C48 HydrophobicContact CD2-CB 3.99Å |
| 17 | C | 94.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 61.4 Ų | 61.4 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | A7 R8 I22 | A7-C17 WeakPolarHBondContact CA-O 3.41Å; R8-C17 PolarHBondContact N-O 3.41Å; R8-C17 PolarHBondContact O-N 3.33Å; R8-C17 PolarHBondContact O-SG 3.15Å; C17-I22 HydrophobicContact CB-CB 4.45Å; C17-I22 VanDerWaalsContact SG-CB 3.57Å |
| 18 | C | 94.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 67.2 Ų | 67.2 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 144 | 171.7 | -40.7 | 0 | 0 | 0 | 0 | 110.1 | L4 S20 C21 I22 | L4-C18 VanDerWaalsContact CD1-SG 3.51Å; C18-S20 VanDerWaalsContact C-N 3.33Å; C18-S20 PolarHBondContact O-N 3.42Å; C18-C21 HydrophobicContact CB-CB 4.12Å; C18-C21 PolarHBondContact O-N 3.31Å; C18-I22 WeakPolarHBondContact O-CG2 3.34Å; C18-I22 PolarHBondContact O-N 2.96Å |
| 19 | F | 95.5 | Very high | 96.5 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 176.4 | -179.5 | -126.9 | 0 | 0 | 0 | 113 | D6 R8 C21 I22 R23 L42 | D6-F19 HydrophobicContact CB-CB 3.86Å; D6-F19 VanDerWaalsContact CG-CB 3.47Å; D6-F19 VanDerWaalsContact O-CB 3.24Å; D6-F19 WeakPolarHBondContact O-CB 3.39Å; D6-F19 PolarHBondContact O-N 3.33Å; D6-F19 WeakPolarHBondContact OD2-CB 3.46Å; D6-F19 WeakPolarHBondContact OD2-CD1 3.23Å; D6-F19 WeakPolarHBondContact OD2-CG 3.37Å; R8-F19 HydrophobicContact CG-CB 3.79Å; R8-F19 HydrophobicContact CG-CD2 3.85Å; R8-F19 HydrophobicContact CG-CG 4.26Å; F19-C21 VanDerWaalsContact C-N 3.34Å; F19-C21 PolarHBondContact O-N 3.43Å; F19-I22 WeakPolarHBondContact O-CG2 3.34Å; F19-I22 PolarHBondContact O-N 3.23Å; F19-R23 WeakPolarHBondContact O-CB 3.28Å; F19-R23 PolarHBondContact O-N 3.4Å; F19-L42 HydrophobicContact CD2-CD1 4.46Å; F19-L42 HydrophobicContact CE2-CD1 3.81Å; F19-L42 HydrophobicContact CE2-CD2 4.21Å; F19-L42 HydrophobicContact CE2-CG 4.07Å; F19-L42 HydrophobicContact CZ-CD2 4.32Å |
| 20 | S | 95.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 77.8 Ų | 77.8 | 43% | 0.434 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 112 | C18 R24 | C18-S20 VanDerWaalsContact C-N 3.33Å; C18-S20 PolarHBondContact O-N 3.42Å; S20-R24 WeakPolarHBondContact O-CB 3.38Å; S20-R24 PolarHBondContact O-N 2.81Å |
| 21 | C | 95.2 | Very high | 96.2 | Very high | 64 Ų | 64 | 80.5 Ų | 80.5 | 43% | 0.432 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.9 | -50.2 | -179.9 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | C18 F19 R24 W25 | C18-C21 HydrophobicContact CB-CB 4.12Å; C18-C21 PolarHBondContact O-N 3.31Å; F19-C21 VanDerWaalsContact C-N 3.34Å; F19-C21 PolarHBondContact O-N 3.43Å; C21-R24 PolarHBondContact O-N 3.18Å; C21-W25 WeakPolarHBondContact O-CB 3.46Å; C21-W25 PolarHBondContact O-N 3.21Å |
| 22 | I | 96.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 81.3 Ų | 81.3 | 2% | 0.015 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71.7 | -33.4 | -178 | -166.7 | 60.8 | 0 | 0 | 0 | 112.1 | R8 C17 C18 F19 W25 L26 P34 L45 | R8-I22 HydrophobicContact CB-CG2 4.24Å; R8-I22 HydrophobicContact CG-CG2 4.32Å; C17-I22 HydrophobicContact CB-CB 4.45Å; C17-I22 VanDerWaalsContact SG-CB 3.57Å; C18-I22 WeakPolarHBondContact O-CG2 3.34Å; C18-I22 PolarHBondContact O-N 2.96Å; F19-I22 WeakPolarHBondContact O-CG2 3.34Å; F19-I22 PolarHBondContact O-N 3.23Å; I22-W25 HydrophobicContact CD1-CB 4.47Å; I22-W25 PolarHBondContact O-N 3.15Å; I22-L26 HydrophobicContact CD1-CD1 4.49Å; I22-L26 HydrophobicContact CD1-CG 4.23Å; I22-L26 HydrophobicContact CG1-CD1 4.05Å; I22-L26 HydrophobicContact CG1-CG 4.22Å; I22-L26 WeakPolarHBondContact O-CB 3.31Å; I22-L26 VanDerWaalsContact O-CG 3.27Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 3.42Å; I22-P34 HydrophobicContact CD1-CG 4.05Å; I22-L45 HydrophobicContact CB-CD1 4.31Å; I22-L45 HydrophobicContact CG1-CD1 3.84Å; I22-L45 HydrophobicContact CG1-CD2 4.04Å; I22-L45 HydrophobicContact CG2-CD1 3.46Å; I22-L45 VanDerWaalsContact CG2-CD1 3.46Å |
| 23 | R | 96.7 | Very high | 96.2 | Very high | 128 Ų | 128 | 76.8 Ų | 76.8 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 171.7 | -173.8 | -179.7 | 73.7 | -178.9 | 3 | 110.9 | F19 W25 L26 T27 L42 | F19-R23 WeakPolarHBondContact O-CB 3.28Å; F19-R23 PolarHBondContact O-N 3.4Å; R23-W25 VanDerWaalsContact C-N 3.34Å; R23-W25 PolarHBondContact O-N 3.2Å; R23-L26 PolarHBondContact O-N 3.06Å; R23-T27 WeakPolarHBondContact O-CB 3.14Å; R23-T27 PolarHBondContact O-N 3.38Å; R23-T27 PolarHBondContact O-OG1 3.1Å; R23-L42 HydrophobicContact CB-CD1 3.83Å; R23-L42 HydrophobicContact CG-CD1 3.99Å; R23-L42 HydrophobicContact CG-CD2 4.11Å |
| 24 | R | 96.6 | Very high | 96.1 | Very high | 150 Ų | 150 | 78.3 Ų | 78.3 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.3 | -48.9 | 175.9 | -170.9 | -179.8 | -66.6 | 144.7 | 1.8 | 111 | S20 C21 L26 T27 E28 | S20-R24 WeakPolarHBondContact O-CB 3.38Å; S20-R24 PolarHBondContact O-N 2.81Å; C21-R24 PolarHBondContact O-N 3.18Å; R24-L26 PolarHBondContact O-N 3.32Å; R24-T27 PolarHBondContact O-N 3.34Å; R24-E28 WeakPolarHBondContact CD-OE2 3.45Å; R24-E28 HydrophobicContact CG-CG 4.18Å; R24-E28 WeakPolarHBondContact CG-OE1 3.43Å; R24-E28 WeakPolarHBondContact CG-OE2 3.3Å; R24-E28 VanDerWaalsContact O-CB 3.28Å; R24-E28 WeakPolarHBondContact O-CB 3.4Å; R24-E28 PolarHBondContact O-N 3.39Å |
| 25 | W | 97 | Very high | 96.1 | Very high | 98 Ų | 98 | 79.7 Ų | 79.7 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 180 | -179.6 | -90 | 0 | 0 | 0 | 113 | C21 I22 R23 T27 Q29 R30 Q32 P34 | C21-W25 WeakPolarHBondContact O-CB 3.46Å; C21-W25 PolarHBondContact O-N 3.21Å; I22-W25 HydrophobicContact CD1-CB 4.47Å; I22-W25 PolarHBondContact O-N 3.15Å; R23-W25 VanDerWaalsContact C-N 3.34Å; R23-W25 PolarHBondContact O-N 3.2Å; W25-T27 VanDerWaalsContact C-N 3.31Å; W25-T27 PolarHBondContact O-N 3.24Å; W25-Q29 HydrophobicContact CD2-CB 4.15Å; W25-Q29 HydrophobicContact CD2-CG 4.35Å; W25-Q29 HydrophobicContact CE3-CB 4.2Å; W25-Q29 HydrophobicContact CE3-CG 3.96Å; W25-Q29 HydrophobicContact CZ3-CB 4.48Å; W25-Q29 HydrophobicContact CZ3-CG 4.25Å; W25-Q29 WeakPolarHBondContact O-CA 3.33Å; W25-Q29 VanDerWaalsContact O-CB 3.31Å; W25-Q29 WeakPolarHBondContact O-CB 3.24Å; W25-Q29 PolarHBondContact O-N 3.16Å; W25-R30 PolarHBondContact O-N 2.95Å; W25-Q32 PolarHBondContact NE1-O 3.42Å; W25-P34 HydrophobicContact CD2-CB 4.07Å; W25-P34 HydrophobicContact CG-CB 4.49Å; W25-P34 HydrophobicContact CH2-CB 4.44Å; W25-P34 HydrophobicContact CZ2-CB 3.92Å |
| 26 | L | 97.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 76.8 Ų | 76.8 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.3 | -29.3 | -177.6 | -66.4 | 178.3 | 0 | 0 | 0 | 112.9 | I22 R23 R24 L40 L42 L45 | I22-L26 HydrophobicContact CD1-CD1 4.49Å; I22-L26 HydrophobicContact CD1-CG 4.23Å; I22-L26 HydrophobicContact CG1-CD1 4.05Å; I22-L26 HydrophobicContact CG1-CG 4.22Å; I22-L26 WeakPolarHBondContact O-CB 3.31Å; I22-L26 VanDerWaalsContact O-CG 3.27Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 3.42Å; R23-L26 PolarHBondContact O-N 3.06Å; R24-L26 PolarHBondContact O-N 3.32Å; L26-L40 HydrophobicContact CD1-CD2 4.45Å; L26-L40 HydrophobicContact CD1-CG 4.35Å; L26-L40 HydrophobicContact CD2-CB 4.23Å; L26-L40 HydrophobicContact CD2-CD2 4.41Å; L26-L40 HydrophobicContact CD2-CG 4.42Å; L26-L40 WeakPolarHBondContact CD2-O 3.44Å; L26-L42 HydrophobicContact CD1-CD1 4.27Å; L26-L45 HydrophobicContact CD1-CD1 4.28Å |
| 27 | T | 95.6 | Very high | 96.2 | Very high | 113 Ų | 113 | 82.3 Ų | 82.3 | 69% | 0.693 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -86.3 | -41.5 | 179.1 | -57 | 0 | 0 | 0 | 0 | 113 | R23 R24 W25 | R23-T27 WeakPolarHBondContact O-CB 3.14Å; R23-T27 PolarHBondContact O-N 3.38Å; R23-T27 PolarHBondContact O-OG1 3.1Å; R24-T27 PolarHBondContact O-N 3.34Å; W25-T27 VanDerWaalsContact C-N 3.31Å; W25-T27 PolarHBondContact O-N 3.24Å |
| 28 | E | 96.2 | Very high | 96.4 | Very high | 126 Ų | 126 | 82.1 Ų | 82.1 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -99.1 | -22.4 | -170.1 | -63.2 | 175.4 | -166 | 0 | 0 | 113.8 | R24 | R24-E28 WeakPolarHBondContact CD-OE2 3.45Å; R24-E28 HydrophobicContact CG-CG 4.18Å; R24-E28 WeakPolarHBondContact CG-OE1 3.43Å; R24-E28 WeakPolarHBondContact CG-OE2 3.3Å; R24-E28 VanDerWaalsContact O-CB 3.28Å; R24-E28 WeakPolarHBondContact O-CB 3.4Å; R24-E28 PolarHBondContact O-N 3.39Å |
| 29 | Q | 91.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 85.5 Ų | 85.5 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -78.3 | -173.8 | -58.3 | -63.7 | -36.5 | 0 | 0 | 111.4 | W25 | W25-Q29 HydrophobicContact CD2-CB 4.15Å; W25-Q29 HydrophobicContact CD2-CG 4.35Å; W25-Q29 HydrophobicContact CE3-CB 4.2Å; W25-Q29 HydrophobicContact CE3-CG 3.96Å; W25-Q29 HydrophobicContact CZ3-CB 4.48Å; W25-Q29 HydrophobicContact CZ3-CG 4.25Å; W25-Q29 WeakPolarHBondContact O-CA 3.33Å; W25-Q29 VanDerWaalsContact O-CB 3.31Å; W25-Q29 WeakPolarHBondContact O-CB 3.24Å; W25-Q29 PolarHBondContact O-N 3.16Å |
| 30 | R | 94.1 | Very high | 96.7 | Very high | 168 Ų | 168 | 83.3 Ų | 83.3 | 63% | 0.634 | 41% | 0.414 | S | S | * | . | trans | -153 | 142.5 | -174.9 | -66.4 | -172.4 | 171.4 | -177.3 | -3.3 | 110.4 | W25 Q32 | W25-R30 PolarHBondContact O-N 2.95Å; R30-Q32 PolarHBondContact O-N 2.98Å | ||
| 31 | A | 96.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 84.6 Ų | 84.6 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -75.2 | 51.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L40 | A31-L40 CarbonylContact C-O 3.53Å; A31-L40 PolarHBondContact O-N 2.92Å |
| 32 | Q | 98.2 | Very high | 96.9 | Very high | 75 Ų | 75 | 84.7 Ų | 84.7 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -141.2 | 147.4 | -178.8 | -69.6 | 172.6 | 5 | 0 | 0 | 109.7 | W25 R30 A38 | W25-Q32 PolarHBondContact NE1-O 3.42Å; R30-Q32 PolarHBondContact O-N 2.98Å; Q32-A38 CarbonylContact C-O 3.49Å; Q32-A38 VanDerWaalsContact CA-O 3.23Å; Q32-A38 WeakPolarHBondContact CA-O 3.17Å |
| 33 | C | 98 | Very high | 96.9 | Very high | 6 Ų | 6 | 94.3 Ų | 94.3 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | trans | -58 | 131.5 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | H35 C36 R37 A38 L40 | C33-H35 PolarHBondContact O-N 2.9Å; C33-H35 VanDerWaalsContact O-N 3.15Å; C33-H35 PolarHBondContact SG-N 2.7Å; C33-H35 VanDerWaalsContact SG-N 3.43Å; C33-C36 WeakPolarHBondContact CB-SG 3.2Å; C33-C36 VanDerWaalsContact SG-SG 3.68Å; C33-R37 VanDerWaalsContact O-CA 3.23Å; C33-R37 WeakPolarHBondContact O-CA 3.28Å; C33-R37 PolarHBondContact O-N 3.21Å; C33-A38 PolarHBondContact N-O 3.3Å; C33-L40 HydrophobicContact CB-CD2 3.99Å | ||
| 34 | P | 97.3 | Very high | 97 | Very high | 68 Ų | 68 | 91.7 Ų | 91.7 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21 | 178 | 25.4 | -34.5 | 0 | 0 | 0 | 113.2 | I22 W25 | I22-P34 HydrophobicContact CD1-CG 4.05Å; W25-P34 HydrophobicContact CD2-CB 4.07Å; W25-P34 HydrophobicContact CG-CB 4.49Å; W25-P34 HydrophobicContact CH2-CB 4.44Å; W25-P34 HydrophobicContact CZ2-CB 3.92Å |
| 35 | H | 98.1 | Very high | 97.1 | Very high | 110 Ų | 110 | 85.2 Ų | 85.2 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -63.8 | -179.2 | -178.5 | -95.6 | 0 | 0 | 0 | 112.5 | K15 C33 | K15-H35 HydrophobicContact CB-CB 4.39Å; K15-H35 WeakPolarHBondContact CE-NE2 3.47Å; K15-H35 HydrophobicContact CG-CB 4.07Å; C33-H35 PolarHBondContact O-N 2.9Å; C33-H35 VanDerWaalsContact O-N 3.15Å; C33-H35 PolarHBondContact SG-N 2.7Å; C33-H35 VanDerWaalsContact SG-N 3.43Å |
| 36 | C | 98.2 | Very high | 97.1 | Very high | 50 Ų | 50 | 84 Ų | 84 | 34% | 0.338 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -5.8 | -174 | 66.8 | 0 | 0 | 0 | 0 | 114.5 | C13 C33 A38 | C13-C36 HydrophobicContact CB-CB 3.65Å; C13-C36 VanDerWaalsContact SG-SG 3.63Å; C33-C36 WeakPolarHBondContact CB-SG 3.2Å; C33-C36 VanDerWaalsContact SG-SG 3.68Å; C36-A38 PolarHBondContact O-N 2.93Å |
| 37 | R | 97.7 | Very high | 97.2 | Very high | 195 Ų | 195 | 85.4 Ų | 85.4 | 74% | 0.736 | 43% | 0.426 | S | S | * | . | trans | 61 | 4.5 | -178.7 | -50.4 | 179.1 | -178.3 | -163.3 | -0.4 | 115.4 | C33 | C33-R37 VanDerWaalsContact O-CA 3.23Å; C33-R37 WeakPolarHBondContact O-CA 3.28Å; C33-R37 PolarHBondContact O-N 3.21Å | ||
| 38 | A | 98.2 | Very high | 97.2 | Very high | 24 Ų | 24 | 80.3 Ų | 80.3 | 20% | 0.198 | 40% | 0.395 | C | S | . | . | trans | -59.4 | 144.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | H12 Q32 C33 C36 L40 | H12-A38 HydrophobicContact CB-CB 3.98Å; Q32-A38 CarbonylContact C-O 3.49Å; Q32-A38 VanDerWaalsContact CA-O 3.23Å; Q32-A38 WeakPolarHBondContact CA-O 3.17Å; C33-A38 PolarHBondContact N-O 3.3Å; C36-A38 PolarHBondContact O-N 2.93Å; A38-L40 PolarHBondContact O-N 3.08Å | ||
| 39 | P | 98.3 | Very high | 97.1 | Very high | 99 Ų | 99 | 84.3 Ų | 84.3 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | B | Isolated β-bridge | trans | -51.6 | 136.3 | 171 | -23.8 | 33.9 | 0 | 0 | 0 | 110.3 | H12 | H12-P39 PolarHBondContact NE2-O 3.46Å |
| 40 | L | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 85.2 Ų | 85.2 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | trans | -151.7 | 131.9 | -175.1 | -174.3 | 65.8 | 0 | 0 | 0 | 110.7 | P11 L26 A31 C33 A38 E44 L45 | P11-L40 HydrophobicContact CG-CD1 4.08Å; L26-L40 HydrophobicContact CD1-CD2 4.45Å; L26-L40 HydrophobicContact CD1-CG 4.35Å; L26-L40 HydrophobicContact CD2-CB 4.23Å; L26-L40 HydrophobicContact CD2-CD2 4.41Å; L26-L40 HydrophobicContact CD2-CG 4.42Å; L26-L40 WeakPolarHBondContact CD2-O 3.44Å; A31-L40 CarbonylContact C-O 3.53Å; A31-L40 PolarHBondContact O-N 2.92Å; C33-L40 HydrophobicContact CB-CD2 3.99Å; A38-L40 PolarHBondContact O-N 3.08Å; L40-E44 HydrophobicContact CD1-CB 4.09Å; L40-L45 HydrophobicContact CD2-CD2 3.96Å | ||
| 41 | Q | 97.8 | Very high | 97.3 | Very high | 89 Ų | 89 | 77.4 Ų | 77.4 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | trans | -113 | 157.1 | 171.4 | -54.3 | -175.6 | 8.8 | 0 | 0 | 111.5 | R43 E44 | Q41-R43 HydrophobicContact CB-CG 4.43Å; Q41-R43 PolarHBondContact O-N 3.23Å; Q41-R43 VanDerWaalsContact O-N 3.16Å; Q41-E44 HydrophobicContact CB-CG 4.34Å; Q41-E44 WeakPolarHBondContact CB-OE1 3.23Å; Q41-E44 VanDerWaalsContact CG-OE1 3.28Å; Q41-E44 WeakPolarHBondContact CG-OE1 3.46Å; Q41-E44 PolarHBondContact N-OE1 2.69Å; Q41-E44 WeakPolarHBondContact O-CB 3.16Å; Q41-E44 PolarHBondContact O-N 3.01Å | ||
| 42 | L | 96.8 | Very high | 97 | Very high | 66 Ų | 66 | 80.7 Ų | 80.7 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -57.5 | -36.2 | -174.4 | -164.1 | 72.9 | 0 | 0 | 0 | 113.1 | F19 R23 L26 E44 L45 | F19-L42 HydrophobicContact CD2-CD1 4.46Å; F19-L42 HydrophobicContact CE2-CD1 3.81Å; F19-L42 HydrophobicContact CE2-CD2 4.21Å; F19-L42 HydrophobicContact CE2-CG 4.07Å; F19-L42 HydrophobicContact CZ-CD2 4.32Å; R23-L42 HydrophobicContact CB-CD1 3.83Å; R23-L42 HydrophobicContact CG-CD1 3.99Å; R23-L42 HydrophobicContact CG-CD2 4.11Å; L26-L42 HydrophobicContact CD1-CD1 4.27Å; L42-E44 VanDerWaalsContact C-N 3.25Å; L42-E44 PolarHBondContact O-N 2.96Å; L42-L45 HydrophobicContact CD1-CD1 3.85Å; L42-L45 WeakPolarHBondContact O-CB 3.43Å; L42-L45 PolarHBondContact O-N 3.21Å |
| 43 | R | 97.5 | Very high | 96.7 | Very high | 205 Ų | 205 | 82 Ų | 82 | 77% | 0.774 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -70 | -19.1 | -179.8 | 66.2 | 175.6 | 179.2 | -107.8 | -0.6 | 114.2 | Q41 L45 | Q41-R43 HydrophobicContact CB-CG 4.43Å; Q41-R43 PolarHBondContact O-N 3.23Å; Q41-R43 VanDerWaalsContact O-N 3.16Å; R43-L45 VanDerWaalsContact C-N 3.32Å |
| 44 | E | 97.9 | Very high | 96.6 | Very high | 73 Ų | 73 | 85.5 Ų | 85.5 | 34% | 0.341 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -85.2 | -12.4 | -178.3 | -59.2 | 175.9 | -108.7 | 0 | 0 | 111.9 | P11 L40 Q41 L42 V46 | P11-E44 HydrophobicContact CG-CB 4.4Å; L40-E44 HydrophobicContact CD1-CB 4.09Å; Q41-E44 HydrophobicContact CB-CG 4.34Å; Q41-E44 WeakPolarHBondContact CB-OE1 3.23Å; Q41-E44 VanDerWaalsContact CG-OE1 3.28Å; Q41-E44 WeakPolarHBondContact CG-OE1 3.46Å; Q41-E44 PolarHBondContact N-OE1 2.69Å; Q41-E44 WeakPolarHBondContact O-CB 3.16Å; Q41-E44 PolarHBondContact O-N 3.01Å; L42-E44 VanDerWaalsContact C-N 3.25Å; L42-E44 PolarHBondContact O-N 2.96Å; E44-V46 PolarHBondContact O-N 3.11Å |
| 45 | L | 98.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 84 Ų | 84 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | trans | -68.5 | 127.6 | 178.6 | -70.4 | 168.4 | 0 | 0 | 0 | 111.3 | R8 I22 L26 L40 L42 R43 | R8-L45 HydrophobicContact CB-CB 4.22Å; R8-L45 HydrophobicContact CB-CD1 4.33Å; R8-L45 HydrophobicContact CB-CD2 4.25Å; R8-L45 HydrophobicContact CG-CD1 4.45Å; I22-L45 HydrophobicContact CB-CD1 4.31Å; I22-L45 HydrophobicContact CG1-CD1 3.84Å; I22-L45 HydrophobicContact CG1-CD2 4.04Å; I22-L45 HydrophobicContact CG2-CD1 3.46Å; I22-L45 VanDerWaalsContact CG2-CD1 3.46Å; L26-L45 HydrophobicContact CD1-CD1 4.28Å; L40-L45 HydrophobicContact CD2-CD2 3.96Å; L42-L45 HydrophobicContact CD1-CD1 3.85Å; L42-L45 WeakPolarHBondContact O-CB 3.43Å; L42-L45 PolarHBondContact O-N 3.21Å; R43-L45 VanDerWaalsContact C-N 3.32Å | ||
| 46 | V | 98.2 | Very high | 96 | Very high | 73 Ų | 73 | 84 Ų | 84 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 129.4 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | R8 L9 E44 C48 | R8-V46 VanDerWaalsContact CA-O 3.31Å; R8-V46 WeakPolarHBondContact CA-O 3.23Å; L9-V46 HydrophobicContact CB-CB 4.27Å; L9-V46 HydrophobicContact CD2-CB 4.24Å; L9-V46 HydrophobicContact CD2-CG2 4.31Å; L9-V46 PolarHBondContact N-O 2.8Å; L9-V46 PolarHBondContact O-N 3.17Å; E44-V46 PolarHBondContact O-N 3.11Å; V46-C48 PolarHBondContact O-N 3.43Å |
| 47 | N | 97.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 86.5 Ų | 86.5 | 28% | 0.278 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 112.6 | 170.9 | -172.8 | -30 | 0 | 0 | 0 | 109.8 | R49 | N47-R49 VanDerWaalsContact C-N 3.34Å; N47-R49 PolarHBondContact O-N 3.06Å; N47-R49 VanDerWaalsContact O-N 3.1Å; N47-R49 PolarHBondContact OD1-N 2.92Å |
| 48 | C | 96.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 81.5 Ų | 81.5 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | trans | -86.2 | 75.7 | 177.1 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | A7 L9 L16 V46 W50 A51 | A7-C48 HydrophobicContact CB-CB 4.21Å; A7-C48 PolarHBondContact O-N 2.89Å; L9-C48 WeakPolarHBondContact CB-SG 3.44Å; L16-C48 HydrophobicContact CD2-CB 3.99Å; V46-C48 PolarHBondContact O-N 3.43Å; C48-W50 HydrophobicContact CB-CZ2 4.33Å; C48-W50 PolarHBondContact O-N 3.38Å; C48-W50 VanDerWaalsContact O-N 3.08Å; C48-A51 HydrophobicContact CB-CB 3.97Å; C48-A51 VanDerWaalsContact O-CB 3.23Å; C48-A51 WeakPolarHBondContact O-CB 3.4Å; C48-A51 PolarHBondContact O-N 3.07Å | ||
| 49 | R | 95.1 | Very high | 95.2 | Very high | 209 Ų | 209 | 82.8 Ų | 82.8 | 79% | 0.789 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25 | -178.1 | -59.7 | -179.7 | -174.2 | -85.3 | 2.5 | 114.2 | N47 | N47-R49 VanDerWaalsContact C-N 3.34Å; N47-R49 PolarHBondContact O-N 3.06Å; N47-R49 VanDerWaalsContact O-N 3.1Å; N47-R49 PolarHBondContact OD1-N 2.92Å |
| 50 | W | 94.1 | Very high | 95 | Very high | 145 Ų | 145 | 81.4 Ų | 81.4 | 55% | 0.549 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.2 | 178.7 | 53.3 | -101 | 0 | 0 | 0 | 113.7 | C48 E52 E53 V54 | C48-W50 HydrophobicContact CB-CZ2 4.33Å; C48-W50 PolarHBondContact O-N 3.38Å; C48-W50 VanDerWaalsContact O-N 3.08Å; W50-E52 VanDerWaalsContact C-N 3.28Å; W50-E52 PolarHBondContact O-N 3.41Å; W50-E53 PolarHBondContact O-N 3.37Å; W50-V54 HydrophobicContact CE3-CB 4.29Å; W50-V54 HydrophobicContact CE3-CG2 3.72Å; W50-V54 HydrophobicContact CZ3-CB 4.49Å; W50-V54 HydrophobicContact CZ3-CG2 4.17Å; W50-V54 PolarHBondContact O-N 3.02Å; W50-V54 VanDerWaalsContact O-N 3.15Å |
| 51 | A | 93.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 86.6 Ų | 86.6 | 3% | 0.033 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.5 | -30.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A7 C48 T55 | A7-A51 HydrophobicContact CB-CB 3.46Å; A7-A51 VanDerWaalsContact CB-CB 3.46Å; C48-A51 HydrophobicContact CB-CB 3.97Å; C48-A51 VanDerWaalsContact O-CB 3.23Å; C48-A51 WeakPolarHBondContact O-CB 3.4Å; C48-A51 PolarHBondContact O-N 3.07Å; A51-T55 WeakPolarHBondContact O-CB 3.4Å; A51-T55 PolarHBondContact O-N 2.85Å; A51-T55 PolarHBondContact O-OG1 2.78Å |
| 52 | E | 91.1 | Very high | 94.5 | Very high | 131 Ų | 131 | 87.7 Ų | 87.7 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.6 | -50 | 177.5 | -177 | 165.3 | -155.7 | 0 | 0 | 111.3 | W50 V54 T55 Q56 | W50-E52 VanDerWaalsContact C-N 3.28Å; W50-E52 PolarHBondContact O-N 3.41Å; E52-V54 PolarHBondContact O-N 3.48Å; E52-T55 PolarHBondContact O-N 2.9Å; E52-Q56 PolarHBondContact O-N 3.22Å |
| 53 | E | 92.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 89.9 Ų | 89.9 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 175.7 | -179.3 | 59.7 | -141.7 | 0 | 0 | 111.2 | W50 T55 Q56 Q57 | W50-E53 PolarHBondContact O-N 3.37Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.16Å; E53-Q56 WeakPolarHBondContact O-CB 3.27Å; E53-Q56 PolarHBondContact O-N 2.78Å; E53-Q56 VanDerWaalsContact O-N 3.17Å; E53-Q57 WeakPolarHBondContact O-CG 3.48Å; E53-Q57 PolarHBondContact O-N 3.3Å; E53-Q57 PolarHBondContact OE1-NE2 2.87Å |
| 54 | V | 94.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 83 Ų | 83 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 179 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | W50 E52 Q56 Q57 L58 | W50-V54 HydrophobicContact CE3-CB 4.29Å; W50-V54 HydrophobicContact CE3-CG2 3.72Å; W50-V54 HydrophobicContact CZ3-CB 4.49Å; W50-V54 HydrophobicContact CZ3-CG2 4.17Å; W50-V54 PolarHBondContact O-N 3.02Å; W50-V54 VanDerWaalsContact O-N 3.15Å; E52-V54 PolarHBondContact O-N 3.48Å; V54-Q56 VanDerWaalsContact C-N 3.34Å; V54-Q57 PolarHBondContact O-N 3.04Å; V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 PolarHBondContact O-N 2.8Å |
| 55 | T | 92.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 83.3 Ų | 83.3 | 22% | 0.221 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 178 | -54.2 | 0 | 0 | 0 | 0 | 111 | A51 E52 E53 L58 D59 | A51-T55 WeakPolarHBondContact O-CB 3.4Å; A51-T55 PolarHBondContact O-N 2.85Å; A51-T55 PolarHBondContact O-OG1 2.78Å; E52-T55 PolarHBondContact O-N 2.9Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 3.16Å; T55-L58 PolarHBondContact O-N 3.44Å; T55-D59 PolarHBondContact O-N 2.97Å |
| 56 | Q | 91.4 | Very high | 92 | Very high | 110 Ų | 110 | 88.1 Ų | 88.1 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.6 | -177.5 | 173.7 | 0.6 | 0 | 0 | 112 | E52 E53 V54 L58 D59 T60 | E52-Q56 PolarHBondContact O-N 3.22Å; E53-Q56 WeakPolarHBondContact O-CB 3.27Å; E53-Q56 PolarHBondContact O-N 2.78Å; E53-Q56 VanDerWaalsContact O-N 3.17Å; V54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-L58 VanDerWaalsContact C-N 3.28Å; Q56-L58 PolarHBondContact O-N 3.2Å; Q56-D59 PolarHBondContact O-N 2.97Å; Q56-T60 PolarHBondContact O-N 2.92Å; Q56-T60 VanDerWaalsContact O-N 3.08Å; Q56-T60 PolarHBondContact O-OG1 2.88Å |
| 57 | Q | 94 | Very high | 90.8 | Very high | 102 Ų | 102 | 88.2 Ų | 88.2 | 48% | 0.477 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 175.5 | -64.1 | -62.3 | -27.2 | 0 | 0 | 111.5 | E53 V54 T60 L61 | E53-Q57 WeakPolarHBondContact O-CG 3.48Å; E53-Q57 PolarHBondContact O-N 3.3Å; E53-Q57 PolarHBondContact OE1-NE2 2.87Å; V54-Q57 PolarHBondContact O-N 3.04Å; Q57-T60 WeakPolarHBondContact O-CB 3.31Å; Q57-T60 PolarHBondContact O-N 2.87Å; Q57-L61 WeakPolarHBondContact O-CG 3.47Å; Q57-L61 PolarHBondContact O-N 2.89Å |
| 58 | L | 92.8 | Very high | 89.2 | Confident | 90 Ų | 90 | 93.4 Ų | 93.4 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.1 | -171.1 | 64.1 | 0 | 0 | 0 | 112.1 | V54 T55 Q56 T60 L61 Q62 | V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 PolarHBondContact O-N 2.8Å; T55-L58 PolarHBondContact O-N 3.44Å; Q56-L58 VanDerWaalsContact C-N 3.28Å; Q56-L58 PolarHBondContact O-N 3.2Å; L58-T60 VanDerWaalsContact C-N 3.28Å; L58-T60 PolarHBondContact O-N 3.36Å; L58-L61 PolarHBondContact O-N 3.5Å; L58-Q62 WeakPolarHBondContact O-CG 3.28Å; L58-Q62 PolarHBondContact O-N 3.02Å |
| 59 | D | 91.5 | Very high | 87.5 | Confident | 52 Ų | 52 | 99.8 Ų | 99.8 | 28% | 0.278 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 174.1 | -72.7 | -16 | 0 | 0 | 0 | 110.7 | K3 T55 Q56 Q62 L63 | K3-D59 WeakPolarHBondContact CE-OD2 3.5Å; K3-D59 IonicContact NZ-OD2 2.85Å; K3-D59 PolarHBondContact NZ-OD2 3.42Å; T55-D59 PolarHBondContact O-N 2.97Å; Q56-D59 PolarHBondContact O-N 2.97Å; D59-Q62 PolarHBondContact O-N 3.15Å; D59-L63 PolarHBondContact O-N 3.47Å |
| 60 | T | 93.4 | Very high | 85.8 | Confident | 70 Ų | 70 | 96.7 Ų | 96.7 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 112 | Q56 Q57 L58 Q62 L63 C64 | Q56-T60 PolarHBondContact O-N 2.92Å; Q56-T60 VanDerWaalsContact O-N 3.08Å; Q56-T60 PolarHBondContact O-OG1 2.88Å; Q57-T60 WeakPolarHBondContact O-CB 3.31Å; Q57-T60 PolarHBondContact O-N 2.87Å; L58-T60 VanDerWaalsContact C-N 3.28Å; L58-T60 PolarHBondContact O-N 3.36Å; T60-Q62 VanDerWaalsContact C-N 3.32Å; T60-Q62 PolarHBondContact O-N 2.89Å; T60-L63 PolarHBondContact O-N 3.44Å; T60-C64 PolarHBondContact O-N 2.99Å; T60-C64 PolarHBondContact O-SG 3.35Å; T60-C64 VanDerWaalsContact O-SG 3.35Å |
| 61 | L | 93.8 | Very high | 84.1 | Confident | 110 Ų | 110 | 95.4 Ų | 95.4 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -38.6 | 178 | -73.7 | 172.8 | 0 | 0 | 0 | 112.5 | Q57 L58 S65 | Q57-L61 WeakPolarHBondContact O-CG 3.47Å; Q57-L61 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 3.5Å; L61-S65 PolarHBondContact O-N 2.82Å; L61-S65 PolarHBondContact O-OG 3.43Å |
| 62 | Q | 91.3 | Very high | 82.3 | Confident | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 175.6 | -72.8 | -175.4 | -24.5 | 0 | 0 | 111.3 | L58 D59 T60 S65 L66 | L58-Q62 WeakPolarHBondContact O-CG 3.28Å; L58-Q62 PolarHBondContact O-N 3.02Å; D59-Q62 PolarHBondContact O-N 3.15Å; T60-Q62 VanDerWaalsContact C-N 3.32Å; T60-Q62 PolarHBondContact O-N 2.89Å; Q62-S65 WeakPolarHBondContact O-CB 3.36Å; Q62-S65 PolarHBondContact O-N 3.05Å; Q62-L66 PolarHBondContact O-N 3.37Å |
| 63 | L | 90.3 | Very high | 80.7 | Confident | 111 Ų | 111 | 101 Ų | 101 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 177 | -170.9 | 64.7 | 0 | 0 | 0 | 112.3 | D59 T60 S65 L66 T67 | D59-L63 PolarHBondContact O-N 3.47Å; T60-L63 PolarHBondContact O-N 3.44Å; L63-S65 PolarHBondContact O-N 3.46Å; L63-L66 PolarHBondContact O-N 2.95Å; L63-L66 VanDerWaalsContact O-N 3.15Å; L63-T67 PolarHBondContact O-N 2.93Å; L63-T67 VanDerWaalsContact O-N 3.11Å |
| 64 | C | 89.1 | Confident | 78.9 | Confident | 62 Ų | 62 | 105 Ų | 105 | 42% | 0.419 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -26.1 | 175.7 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | T60 T67 K68 | T60-C64 PolarHBondContact O-N 2.99Å; T60-C64 PolarHBondContact O-SG 3.35Å; T60-C64 VanDerWaalsContact O-SG 3.35Å; C64-T67 PolarHBondContact O-OG1 3.04Å; C64-K68 WeakPolarHBondContact O-CG 3.15Å |
| 65 | S | 82.9 | Confident | 77.1 | Confident | 78 Ų | 78 | 107.9 Ų | 107.9 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.5 | -33.8 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | L61 Q62 L63 | L61-S65 PolarHBondContact O-N 2.82Å; L61-S65 PolarHBondContact O-OG 3.43Å; Q62-S65 WeakPolarHBondContact O-CB 3.36Å; Q62-S65 PolarHBondContact O-N 3.05Å; L63-S65 PolarHBondContact O-N 3.46Å |
| 66 | L | 76.6 | Confident | 75.1 | Confident | 115 Ų | 115 | 118 Ų | 118 | 60% | 0.602 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.6 | -43.5 | 176.3 | -68.6 | 164.6 | 0 | 0 | 0 | 111.8 | Q62 L63 K68 H69 E70 | Q62-L66 PolarHBondContact O-N 3.37Å; L63-L66 PolarHBondContact O-N 2.95Å; L63-L66 VanDerWaalsContact O-N 3.15Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.02Å; L66-H69 PolarHBondContact O-N 3.21Å; L66-E70 PolarHBondContact O-N 3.36Å |
| 67 | T | 73.1 | Confident | 74.3 | Confident | 74 Ų | 74 | 118.4 Ų | 118.4 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.4 | -32.8 | 179.6 | 55.6 | 0 | 0 | 0 | 0 | 113 | L63 C64 H69 | L63-T67 PolarHBondContact O-N 2.93Å; L63-T67 VanDerWaalsContact O-N 3.11Å; C64-T67 PolarHBondContact O-OG1 3.04Å; T67-H69 VanDerWaalsContact C-N 3.28Å; T67-H69 PolarHBondContact O-N 2.99Å |
| 68 | K | 63.3 | Low | 73.3 | Confident | 162 Ų | 162 | 119.3 Ų | 119.3 | 70% | 0.704 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -26.5 | 174.7 | -74.3 | 179.2 | 179.6 | -175.3 | 0 | 113.7 | C64 L66 | C64-K68 WeakPolarHBondContact O-CG 3.15Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.02Å |
| 69 | H | 61.8 | Low | 72.2 | Confident | 139 Ų | 139 | 120.9 Ų | 120.9 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -83.4 | -28.3 | -177.6 | -150.2 | -65.3 | 0 | 0 | 0 | 112.2 | L66 T67 | L66-H69 PolarHBondContact O-N 3.21Å; T67-H69 VanDerWaalsContact C-N 3.28Å; T67-H69 PolarHBondContact O-N 2.99Å |
| 70 | E | 58 | Low | 71 | Confident | 144 Ų | 144 | 124.9 Ų | 124.9 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.2 | -32.7 | 176.6 | -66.2 | -171.6 | 133.3 | 0 | 0 | 112.9 | L66 | L66-E70 PolarHBondContact O-N 3.36Å |
| 71 | D | 58 | Low | 69.7 | Low | 118 Ų | 118 | 128.4 Ų | 128.4 | 63% | 0.631 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67 | -39.9 | 175.4 | -123.4 | -93.8 | 0 | 0 | 0 | 111.3 | D73 K74 | D71-D73 VanDerWaalsContact C-N 3.31Å; D71-D73 PolarHBondContact O-N 3.43Å; D71-K74 PolarHBondContact O-N 2.83Å |
| 72 | N | 57.2 | Low | 68 | Low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.6 | -15.1 | -174.9 | -148.1 | 45.8 | 0 | 0 | 0 | 114.2 | ||
| 73 | D | 56.3 | Low | 66.4 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 65% | 0.647 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -91.4 | -21.3 | 177.7 | -148.8 | -99.6 | 0 | 0 | 0 | 112.1 | D71 D75 | D71-D73 VanDerWaalsContact C-N 3.31Å; D71-D73 PolarHBondContact O-N 3.43Å; D73-D75 VanDerWaalsContact C-N 3.34Å |
| 74 | K | 55.9 | Low | 64.5 | Low | 187 Ų | 187 | 132.3 Ų | 132.3 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77.8 | -17.4 | 176.3 | -89.5 | -178.8 | 173.1 | 174.4 | 0 | 114.3 | D71 | D71-K74 PolarHBondContact O-N 2.83Å |
| 75 | D | 56.2 | Low | 62.5 | Low | 140 Ų | 140 | 138.2 Ų | 138.2 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 14.5 | 179.5 | -78.9 | -34.6 | 0 | 0 | 0 | 113.7 | D73 | D73-D75 VanDerWaalsContact C-N 3.34Š|
| 76 | K | 50.8 | Low | 60.7 | Low | 248 Ų | 248 | 143.6 Ų | 143.6 | 100% | 1.078 | 70% | 0.7 | S | S | * | * | trans | -115.5 | 0 | 177.7 | -164.3 | 177.9 | -179.9 | -175.3 | 0 | 114 |
Retrieved 76 of 76 residues in 18.5 ms
(Link to these results)