| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.3 | Low | 87.3 | Confident | 182 Ų | 182 | 103.1 Ų | 103.1 | 90% | 0.897 | 52% | 0.515 | S | S | * | . | 0 | 121.8 | 0 | -139.6 | 175.1 | -152.4 | 0 | 0 | 107.3 | G3 | M1-G3 PolarHBondContact O-N 3.43Š| |||
| 2 | S | 75.3 | Confident | 87.9 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | trans | -36.4 | 125.2 | -173 | 161 | 0 | 0 | 0 | 0 | 113.9 | F4 I5 Q6 | S2-F4 PolarHBondContact O-N 3.33Å; S2-I5 PolarHBondContact O-N 3.19Å; S2-Q6 PolarHBondContact O-N 2.88Å; S2-Q6 VanDerWaalsContact O-N 3.14Å | ||
| 3 | G | 88.6 | Confident | 88.4 | Confident | 54 Ų | 54 | 107.1 Ų | 107.1 | 56% | 0.557 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -29.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 Q6 L7 | M1-G3 PolarHBondContact O-N 3.43Å; G3-Q6 PolarHBondContact O-N 3.22Å; G3-L7 PolarHBondContact O-N 2.9Å |
| 4 | F | 89.4 | Confident | 88.8 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 174.6 | -175.6 | -106.4 | 0 | 0 | 0 | 112.4 | S2 Q6 L7 L8 V18 | S2-F4 PolarHBondContact O-N 3.33Å; F4-Q6 VanDerWaalsContact C-N 3.29Å; F4-Q6 PolarHBondContact O-N 3.31Å; F4-L7 WeakPolarHBondContact O-CB 3.42Å; F4-L7 PolarHBondContact O-N 3.05Å; F4-L8 HydrophobicContact CD1-CD1 4.03Å; F4-L8 HydrophobicContact CE1-CD1 3.55Å; F4-L8 HydrophobicContact CE1-CG 4.28Å; F4-L8 HydrophobicContact CZ-CD1 3.99Å; F4-L8 HydrophobicContact CZ-CG 4.38Å; F4-L8 PolarHBondContact O-N 2.98Å; F4-V18 HydrophobicContact CZ-CG1 4.03Å; F4-V18 HydrophobicContact CZ-CG2 4.4Å |
| 5 | I | 90.6 | Very high | 89.2 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -36.6 | 176.1 | -60 | 179 | 0 | 0 | 0 | 110.2 | S2 K9 | S2-I5 PolarHBondContact O-N 3.19Å; I5-K9 HydrophobicContact CG2-CD 4.46Å; I5-K9 WeakPolarHBondContact O-CB 3.41Å; I5-K9 WeakPolarHBondContact O-CG 3.37Å; I5-K9 PolarHBondContact O-N 3.28Å |
| 6 | Q | 93.1 | Very high | 89.7 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 173.4 | -72 | -174.8 | -7.9 | 0 | 0 | 112.3 | S2 G3 F4 K9 K10 | S2-Q6 PolarHBondContact O-N 2.88Å; S2-Q6 VanDerWaalsContact O-N 3.14Å; G3-Q6 PolarHBondContact O-N 3.22Å; F4-Q6 VanDerWaalsContact C-N 3.29Å; F4-Q6 PolarHBondContact O-N 3.31Å; Q6-K9 PolarHBondContact O-N 3.42Å; Q6-K10 WeakPolarHBondContact O-CG 3.36Å; Q6-K10 PolarHBondContact O-N 3.22Å |
| 7 | L | 94 | Very high | 90.1 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 175.1 | -180 | 69.6 | 0 | 0 | 0 | 111.3 | G3 F4 K9 K10 R11 L14 | G3-L7 PolarHBondContact O-N 2.9Å; F4-L7 WeakPolarHBondContact O-CB 3.42Å; F4-L7 PolarHBondContact O-N 3.05Å; L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 3.35Å; L7-K10 PolarHBondContact O-N 3.11Å; L7-K10 VanDerWaalsContact O-N 3.11Å; L7-R11 PolarHBondContact O-N 2.94Å; L7-L14 HydrophobicContact CG-CD1 4.48Å |
| 8 | L | 93.3 | Very high | 90.4 | Very high | 32 Ų | 32 | 96.9 Ų | 96.9 | 17% | 0.168 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -63.8 | -31.9 | 177.6 | -66.8 | 177.9 | 0 | 0 | 0 | 112.9 | F4 R11 L14 I15 V18 | F4-L8 HydrophobicContact CD1-CD1 4.03Å; F4-L8 HydrophobicContact CE1-CD1 3.55Å; F4-L8 HydrophobicContact CE1-CG 4.28Å; F4-L8 HydrophobicContact CZ-CD1 3.99Å; F4-L8 HydrophobicContact CZ-CG 4.38Å; F4-L8 PolarHBondContact O-N 2.98Å; L8-R11 CarbonylContact O-C 3.55Å; L8-L14 HydrophobicContact CD2-CB 3.97Å; L8-I15 HydrophobicContact CB-CG1 4.27Å; L8-I15 HydrophobicContact CD2-CG1 4.37Å; L8-V18 HydrophobicContact CD2-CG2 4.12Å |
| 9 | K | 92.4 | Very high | 90.7 | Very high | 117 Ų | 117 | 93.8 Ų | 93.8 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 173.2 | -77.5 | -179.2 | 179.6 | -174.4 | 0 | 112.4 | I5 Q6 L7 K12 | I5-K9 HydrophobicContact CG2-CD 4.46Å; I5-K9 WeakPolarHBondContact O-CB 3.41Å; I5-K9 WeakPolarHBondContact O-CG 3.37Å; I5-K9 PolarHBondContact O-N 3.28Å; Q6-K9 PolarHBondContact O-N 3.42Å; L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 3.35Å; K9-K12 VanDerWaalsContact O-CE 3.24Å; K9-K12 WeakPolarHBondContact O-CE 3.46Å |
| 10 | K | 95.8 | Very high | 91.1 | Very high | 163 Ų | 163 | 97 Ų | 97 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -80.6 | -26.4 | 179.4 | -73.2 | -175.9 | 177.9 | -176.2 | 0 | 113.6 | Q6 L7 | Q6-K10 WeakPolarHBondContact O-CG 3.36Å; Q6-K10 PolarHBondContact O-N 3.22Å; L7-K10 PolarHBondContact O-N 3.11Å; L7-K10 VanDerWaalsContact O-N 3.11Å |
| 11 | R | 94.5 | Very high | 91.4 | Very high | 139 Ų | 139 | 98.3 Ų | 98.3 | 53% | 0.525 | 50% | 0.499 | S | S | . | . | trans | -128.1 | 87.5 | -178.2 | -64.4 | -73.3 | -171.5 | -111.7 | 2.1 | 109.4 | L7 L8 E13 L14 | L7-R11 PolarHBondContact O-N 2.94Å; L8-R11 CarbonylContact O-C 3.55Å; R11-E13 VanDerWaalsContact C-N 3.28Å; R11-E13 WeakPolarHBondContact CD-OE1 3.24Å; R11-E13 PolarHBondContact O-N 3.43Å; R11-L14 HydrophobicContact CB-CD1 3.74Å; R11-L14 HydrophobicContact CB-CG 3.98Å; R11-L14 HydrophobicContact CG-CD1 4.38Å; R11-L14 PolarHBondContact O-N 2.84Å | ||
| 12 | K | 93.9 | Very high | 93.5 | Very high | 128 Ų | 128 | 91.8 Ų | 91.8 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25.6 | -172.7 | -64.1 | -66.1 | -171.9 | 172.3 | 0 | 112.5 | K9 L14 I15 | K9-K12 VanDerWaalsContact O-CE 3.24Å; K9-K12 WeakPolarHBondContact O-CE 3.46Å; K12-L14 PolarHBondContact O-N 2.9Å; K12-I15 HydrophobicContact CB-CD1 4.5Å; K12-I15 HydrophobicContact CD-CD1 3.61Å; K12-I15 WeakPolarHBondContact O-CB 3.44Å; K12-I15 PolarHBondContact O-N 3.48Å |
| 13 | E | 94.3 | Very high | 94.6 | Very high | 130 Ų | 130 | 96.4 Ų | 96.4 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.2 | 175.7 | 66.3 | -88 | -172.2 | 0 | 0 | 113.4 | R11 P16 | R11-E13 VanDerWaalsContact C-N 3.28Å; R11-E13 WeakPolarHBondContact CD-OE1 3.24Å; R11-E13 PolarHBondContact O-N 3.43Å; E13-P16 WeakPolarHBondContact O-CD 3.35Å; E13-P16 WeakPolarHBondContact O-CG 3.13Å |
| 14 | L | 95.1 | Very high | 95.1 | Very high | 53 Ų | 53 | 96.7 Ų | 96.7 | 28% | 0.277 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -78.6 | -19 | 179.5 | -61.7 | -179.4 | 0 | 0 | 0 | 113.3 | L7 L8 R11 K12 L17 V18 | L7-L14 HydrophobicContact CG-CD1 4.48Å; L8-L14 HydrophobicContact CD2-CB 3.97Å; R11-L14 HydrophobicContact CB-CD1 3.74Å; R11-L14 HydrophobicContact CB-CG 3.98Å; R11-L14 HydrophobicContact CG-CD1 4.38Å; R11-L14 PolarHBondContact O-N 2.84Å; K12-L14 PolarHBondContact O-N 2.9Å; L14-L17 HydrophobicContact CD2-CD2 4.25Å; L14-L17 PolarHBondContact O-N 3.03Å; L14-V18 WeakPolarHBondContact O-CB 3.43Å; L14-V18 WeakPolarHBondContact O-CG2 3.4Å; L14-V18 PolarHBondContact O-N 3.37Å |
| 15 | I | 94.5 | Very high | 95.5 | Very high | 76 Ų | 76 | 93.9 Ų | 93.9 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.3 | -53.9 | -178.1 | -63.5 | 173.2 | 0 | 0 | 0 | 111.7 | L8 K12 L17 V18 G19 | L8-I15 HydrophobicContact CB-CG1 4.27Å; L8-I15 HydrophobicContact CD2-CG1 4.37Å; K12-I15 HydrophobicContact CB-CD1 4.5Å; K12-I15 HydrophobicContact CD-CD1 3.61Å; K12-I15 WeakPolarHBondContact O-CB 3.44Å; K12-I15 PolarHBondContact O-N 3.48Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 2.89Å; I15-V18 PolarHBondContact O-N 3.39Å; I15-G19 PolarHBondContact O-N 3.47Å |
| 16 | P | 96.6 | Very high | 95.9 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.8 | 23.4 | -33.8 | 0 | 0 | 0 | 112.1 | E13 G19 F20 | E13-P16 WeakPolarHBondContact O-CD 3.35Å; E13-P16 WeakPolarHBondContact O-CG 3.13Å; P16-G19 PolarHBondContact O-N 2.94Å; P16-F20 HydrophobicContact CB-CE2 4.5Å; P16-F20 WeakPolarHBondContact O-CD2 3.39Å; P16-F20 PolarHBondContact O-N 3.21Å |
| 17 | L | 96.6 | Very high | 96.1 | Very high | 112 Ų | 112 | 91.8 Ų | 91.8 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.7 | -50.6 | 178.7 | -178.7 | 65.3 | 0 | 0 | 0 | 111.8 | L14 I15 G19 F20 M21 | L14-L17 HydrophobicContact CD2-CD2 4.25Å; L14-L17 PolarHBondContact O-N 3.03Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 2.89Å; L17-G19 VanDerWaalsContact C-N 3.28Å; L17-G19 PolarHBondContact O-N 3.44Å; L17-F20 PolarHBondContact O-N 2.9Å; L17-M21 WeakPolarHBondContact O-CB 3.36Å; L17-M21 PolarHBondContact O-N 3.45Å |
| 18 | V | 96 | Very high | 96.2 | Very high | 38 Ų | 38 | 90.4 Ų | 90.4 | 23% | 0.23 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 176 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | F4 L8 L14 I15 M21 A22 | F4-V18 HydrophobicContact CZ-CG1 4.03Å; F4-V18 HydrophobicContact CZ-CG2 4.4Å; L8-V18 HydrophobicContact CD2-CG2 4.12Å; L14-V18 WeakPolarHBondContact O-CB 3.43Å; L14-V18 WeakPolarHBondContact O-CG2 3.4Å; L14-V18 PolarHBondContact O-N 3.37Å; I15-V18 PolarHBondContact O-N 3.39Å; V18-M21 PolarHBondContact O-N 3.38Å; V18-A22 WeakPolarHBondContact O-CB 3.19Å; V18-A22 PolarHBondContact O-N 3.2Å |
| 19 | G | 96.4 | Very high | 96.5 | Very high | 39 Ų | 39 | 92.8 Ų | 92.8 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -52.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I15 P16 L17 A22 F23 | I15-G19 PolarHBondContact O-N 3.47Å; P16-G19 PolarHBondContact O-N 2.94Å; L17-G19 VanDerWaalsContact C-N 3.28Å; L17-G19 PolarHBondContact O-N 3.44Å; G19-A22 PolarHBondContact O-N 3.39Å; G19-F23 WeakPolarHBondContact O-CB 3.34Å; G19-F23 PolarHBondContact O-N 3.29Å |
| 20 | F | 98.1 | Very high | 96.7 | Very high | 157 Ų | 157 | 90.8 Ų | 90.8 | 69% | 0.689 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 178 | -73.8 | -63.9 | 0 | 0 | 0 | 112.4 | P16 L17 F23 A24 | P16-F20 HydrophobicContact CB-CE2 4.5Å; P16-F20 WeakPolarHBondContact O-CD2 3.39Å; P16-F20 PolarHBondContact O-N 3.21Å; L17-F20 PolarHBondContact O-N 2.9Å; F20-F23 PolarHBondContact O-N 3.47Å; F20-A24 WeakPolarHBondContact O-CB 3.33Å; F20-A24 PolarHBondContact O-N 3.01Å |
| 21 | M | 97.8 | Very high | 96.7 | Very high | 124 Ų | 124 | 84.8 Ų | 84.8 | 61% | 0.611 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 177.1 | -178.3 | -179 | 66.9 | 0 | 0 | 111.5 | L17 V18 A24 A25 | L17-M21 WeakPolarHBondContact O-CB 3.36Å; L17-M21 PolarHBondContact O-N 3.45Å; V18-M21 PolarHBondContact O-N 3.38Å; M21-A24 PolarHBondContact O-N 3.14Å; M21-A25 WeakPolarHBondContact O-CB 3.35Å; M21-A25 PolarHBondContact O-N 3.05Å |
| 22 | A | 97.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 81.9 Ų | 81.9 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V18 G19 A24 A25 T26 | V18-A22 WeakPolarHBondContact O-CB 3.19Å; V18-A22 PolarHBondContact O-N 3.2Å; G19-A22 PolarHBondContact O-N 3.39Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 2.87Å; A22-A25 PolarHBondContact O-N 3.02Å; A22-T26 WeakPolarHBondContact O-CB 3.49Å; A22-T26 PolarHBondContact O-N 2.86Å; A22-T26 PolarHBondContact O-OG1 3.33Å |
| 23 | F | 98.2 | Very high | 96.8 | Very high | 165 Ų | 165 | 79.9 Ų | 79.9 | 72% | 0.724 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -45.7 | 176.5 | -177.3 | -100.5 | 0 | 0 | 0 | 111.9 | G19 F20 G27 | G19-F23 WeakPolarHBondContact O-CB 3.34Å; G19-F23 PolarHBondContact O-N 3.29Å; F20-F23 PolarHBondContact O-N 3.47Å; F23-G27 PolarHBondContact O-N 3.41Å |
| 24 | A | 98.3 | Very high | 96.9 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F20 M21 A22 G27 A28 | F20-A24 WeakPolarHBondContact O-CB 3.33Å; F20-A24 PolarHBondContact O-N 3.01Å; M21-A24 PolarHBondContact O-N 3.14Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 2.87Å; A24-G27 PolarHBondContact O-N 2.91Å; A24-A28 WeakPolarHBondContact O-CB 3.38Å; A24-A28 PolarHBondContact O-N 2.87Å |
| 25 | A | 98.3 | Very high | 96.8 | Very high | 54 Ų | 54 | 79.3 Ų | 79.3 | 45% | 0.446 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M21 A22 T29 | M21-A25 WeakPolarHBondContact O-CB 3.35Å; M21-A25 PolarHBondContact O-N 3.05Å; A22-A25 PolarHBondContact O-N 3.02Å; A25-T29 WeakPolarHBondContact O-CB 3.37Å; A25-T29 PolarHBondContact O-N 2.86Å; A25-T29 PolarHBondContact O-OG1 2.74Å |
| 26 | T | 98.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 78.7 Ų | 78.7 | 60% | 0.595 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 175.3 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | A22 T29 S30 | A22-T26 WeakPolarHBondContact O-CB 3.49Å; A22-T26 PolarHBondContact O-N 2.86Å; A22-T26 PolarHBondContact O-OG1 3.33Å; T26-T29 PolarHBondContact O-N 2.99Å; T26-S30 VanDerWaalsContact O-CB 3.26Å; T26-S30 WeakPolarHBondContact O-CB 3.35Å; T26-S30 PolarHBondContact O-N 2.89Å |
| 27 | G | 97.4 | Very high | 96.5 | Very high | 38 Ų | 38 | 82.9 Ų | 82.9 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F23 A24 T29 S30 A31 | F23-G27 PolarHBondContact O-N 3.41Å; A24-G27 PolarHBondContact O-N 2.91Å; G27-T29 PolarHBondContact O-N 3.39Å; G27-S30 PolarHBondContact O-N 3.49Å; G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3Å |
| 28 | A | 97.8 | Very high | 96.2 | Very high | 58 Ų | 58 | 81.1 Ų | 81.1 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A24 S32 | A24-A28 WeakPolarHBondContact O-CB 3.38Å; A24-A28 PolarHBondContact O-N 2.87Å; A28-S32 WeakPolarHBondContact O-CB 3.37Å; A28-S32 PolarHBondContact O-N 3.49Å; A28-S32 PolarHBondContact O-OG 2.69Å |
| 29 | T | 98.1 | Very high | 95.9 | Very high | 83 Ų | 83 | 80.8 Ų | 80.8 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | A25 T26 G27 S32 L33 | A25-T29 WeakPolarHBondContact O-CB 3.37Å; A25-T29 PolarHBondContact O-N 2.86Å; A25-T29 PolarHBondContact O-OG1 2.74Å; T26-T29 PolarHBondContact O-N 2.99Å; G27-T29 PolarHBondContact O-N 3.39Å; T29-S32 PolarHBondContact O-N 3.28Å; T29-L33 HydrophobicContact CG2-CD1 4.15Å; T29-L33 WeakPolarHBondContact O-CG 3.29Å; T29-L33 PolarHBondContact O-N 3.39Å |
| 30 | S | 97.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 80.3 Ų | 80.3 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 178 | 179.9 | 0 | 0 | 0 | 0 | 112 | T26 G27 S32 L33 Y34 | T26-S30 VanDerWaalsContact O-CB 3.26Å; T26-S30 WeakPolarHBondContact O-CB 3.35Å; T26-S30 PolarHBondContact O-N 2.89Å; G27-S30 PolarHBondContact O-N 3.49Å; S30-S32 PolarHBondContact O-N 2.75Å; S30-L33 PolarHBondContact O-N 2.98Å; S30-Y34 WeakPolarHBondContact O-CB 3.4Å; S30-Y34 PolarHBondContact O-N 3.36Å |
| 31 | A | 95.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 77.4 Ų | 77.4 | 31% | 0.314 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G27 Y34 F35 | G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3Å; A31-Y34 PolarHBondContact O-N 3.37Å; A31-F35 HydrophobicContact CB-CE2 4.39Å; A31-F35 VanDerWaalsContact O-CD2 3.29Å; A31-F35 WeakPolarHBondContact O-CD2 3.31Å; A31-F35 VanDerWaalsContact O-CG 3.28Å; A31-F35 WeakPolarHBondContact O-CG 3.39Å; A31-F35 PolarHBondContact O-N 3.41Å |
| 32 | S | 95.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.1 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | A28 T29 S30 F35 L36 | A28-S32 WeakPolarHBondContact O-CB 3.37Å; A28-S32 PolarHBondContact O-N 3.49Å; A28-S32 PolarHBondContact O-OG 2.69Å; T29-S32 PolarHBondContact O-N 3.28Å; S30-S32 PolarHBondContact O-N 2.75Å; S32-F35 PolarHBondContact O-N 2.62Å; S32-L36 VanDerWaalsContact O-CB 3.32Å; S32-L36 WeakPolarHBondContact O-CB 3.39Å; S32-L36 PolarHBondContact O-N 3.33Å |
| 33 | L | 96.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 45% | 0.45 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.4 | -69 | 168 | 0 | 0 | 0 | 111.3 | T29 S30 F35 L36 F37 | T29-L33 HydrophobicContact CG2-CD1 4.15Å; T29-L33 WeakPolarHBondContact O-CG 3.29Å; T29-L33 PolarHBondContact O-N 3.39Å; S30-L33 PolarHBondContact O-N 2.98Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-F35 PolarHBondContact O-N 2.94Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-F37 HydrophobicContact CB-CD2 4.4Å; L33-F37 HydrophobicContact CB-CE2 4.34Å; L33-F37 HydrophobicContact CD2-CE2 3.89Å; L33-F37 WeakPolarHBondContact O-CD2 3.35Å; L33-F37 PolarHBondContact O-N 3.2Å |
| 34 | Y | 94.4 | Very high | 94 | Very high | 72 Ų | 72 | 73.3 Ų | 73.3 | 28% | 0.282 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 176 | 169.9 | -99.9 | 0 | 0 | 0 | 111.3 | S30 A31 F37 T38 K39 L64 | S30-Y34 WeakPolarHBondContact O-CB 3.4Å; S30-Y34 PolarHBondContact O-N 3.36Å; A31-Y34 PolarHBondContact O-N 3.37Å; Y34-F37 PolarHBondContact O-N 3.3Å; Y34-T38 HydrophobicContact CD2-CG2 3.81Å; Y34-T38 HydrophobicContact CE2-CG2 3.78Å; Y34-T38 WeakPolarHBondContact CE2-OG1 3.28Å; Y34-T38 VanDerWaalsContact O-CB 3.31Å; Y34-T38 WeakPolarHBondContact O-CB 3.48Å; Y34-T38 WeakPolarHBondContact O-CG2 3.4Å; Y34-T38 PolarHBondContact O-N 2.88Å; Y34-T38 PolarHBondContact O-OG1 3.43Å; Y34-K39 PolarHBondContact OH-NZ 3.48Å; Y34-L64 HydrophobicContact CE1-CD1 4.18Å; Y34-L64 HydrophobicContact CE2-CD1 4.43Å |
| 35 | F | 93.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 76.1 Ų | 76.1 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 179.1 | -64.4 | -32.9 | 0 | 0 | 0 | 112.3 | A31 S32 L33 F37 K39 V42 | A31-F35 HydrophobicContact CB-CE2 4.39Å; A31-F35 VanDerWaalsContact O-CD2 3.29Å; A31-F35 WeakPolarHBondContact O-CD2 3.31Å; A31-F35 VanDerWaalsContact O-CG 3.28Å; A31-F35 WeakPolarHBondContact O-CG 3.39Å; A31-F35 PolarHBondContact O-N 3.41Å; S32-F35 PolarHBondContact O-N 2.62Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-F35 PolarHBondContact O-N 2.94Å; F35-F37 VanDerWaalsContact C-N 3.27Å; F35-F37 PolarHBondContact O-N 3.43Å; F35-K39 HydrophobicContact CB-CG 4.31Å; F35-K39 HydrophobicContact CD1-CG 3.79Å; F35-K39 HydrophobicContact CG-CG 4.46Å; F35-K39 WeakPolarHBondContact O-CB 2.93Å; F35-K39 PolarHBondContact O-N 3.37Å; F35-V42 HydrophobicContact CB-CG2 4.07Å |
| 36 | L | 93.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 81.3 Ų | 81.3 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 178.8 | -177.2 | 60.9 | 0 | 0 | 0 | 112.8 | S32 L33 V42 L44 | S32-L36 VanDerWaalsContact O-CB 3.32Å; S32-L36 WeakPolarHBondContact O-CB 3.39Å; S32-L36 PolarHBondContact O-N 3.33Å; L33-L36 PolarHBondContact O-N 2.87Å; L36-V42 HydrophobicContact CD1-CG1 3.75Å; L36-L44 HydrophobicContact CD1-CD1 3.96Å; L36-L44 HydrophobicContact CD1-CD2 3.8Å; L36-L44 HydrophobicContact CD1-CG 3.83Å |
| 37 | F | 91.9 | Very high | 92.6 | Very high | 161 Ų | 161 | 80.3 Ų | 80.3 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -94.9 | -20 | -176 | -65.5 | -57.5 | 0 | 0 | 0 | 114.8 | L33 Y34 F35 | L33-F37 HydrophobicContact CB-CD2 4.4Å; L33-F37 HydrophobicContact CB-CE2 4.34Å; L33-F37 HydrophobicContact CD2-CE2 3.89Å; L33-F37 WeakPolarHBondContact O-CD2 3.35Å; L33-F37 PolarHBondContact O-N 3.2Å; Y34-F37 PolarHBondContact O-N 3.3Å; F35-F37 VanDerWaalsContact C-N 3.27Å; F35-F37 PolarHBondContact O-N 3.43Å |
| 38 | T | 89.7 | Confident | 91.9 | Very high | 74 Ų | 74 | 87.3 Ų | 87.3 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -117.7 | -17.8 | -171.8 | 69.9 | 0 | 0 | 0 | 0 | 115 | Y34 | Y34-T38 HydrophobicContact CD2-CG2 3.81Å; Y34-T38 HydrophobicContact CE2-CG2 3.78Å; Y34-T38 WeakPolarHBondContact CE2-OG1 3.28Å; Y34-T38 VanDerWaalsContact O-CB 3.31Å; Y34-T38 WeakPolarHBondContact O-CB 3.48Å; Y34-T38 WeakPolarHBondContact O-CG2 3.4Å; Y34-T38 PolarHBondContact O-N 2.88Å; Y34-T38 PolarHBondContact O-OG1 3.43Å |
| 39 | K | 90.5 | Very high | 91.2 | Very high | 31 Ų | 31 | 90.9 Ų | 90.9 | 14% | 0.135 | 49% | 0.486 | C | S | . | . | trans | -103.2 | 127.4 | -177.4 | -58 | -62.4 | 166.2 | -162.1 | 0 | 110.6 | Y34 F35 D41 V42 Q62 | Y34-K39 PolarHBondContact OH-NZ 3.48Å; F35-K39 HydrophobicContact CB-CG 4.31Å; F35-K39 HydrophobicContact CD1-CG 3.79Å; F35-K39 HydrophobicContact CG-CG 4.46Å; F35-K39 WeakPolarHBondContact O-CB 2.93Å; F35-K39 PolarHBondContact O-N 3.37Å; K39-D41 PolarHBondContact O-N 3.28Å; K39-V42 HydrophobicContact CB-CG2 4.32Å; K39-V42 PolarHBondContact O-N 3.46Å; K39-Q62 WeakPolarHBondContact CE-O 3.37Å; K39-Q62 PolarHBondContact NZ-O 2.92Å | ||
| 40 | S | 88.9 | Confident | 90.5 | Very high | 30 Ų | 30 | 88.2 Ų | 88.2 | 21% | 0.21 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.4 | 176.6 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | V42 I43 P52 L56 | S40-V42 VanDerWaalsContact C-N 3.29Å; S40-V42 PolarHBondContact O-N 3.32Å; S40-I43 WeakPolarHBondContact O-CG1 3.37Å; S40-P52 WeakPolarHBondContact O-CB 3.19Å; S40-P52 PolarHBondContact OG-O 3.22Å; S40-L56 WeakPolarHBondContact OG-CD2 3.47Å |
| 41 | D | 87.8 | Confident | 90.2 | Very high | 95 Ų | 95 | 88.3 Ų | 88.3 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.9 | 179.9 | -55.7 | -37.5 | 0 | 0 | 0 | 113.2 | K39 I43 | K39-D41 PolarHBondContact O-N 3.28Å; D41-I43 PolarHBondContact O-N 3.31Å |
| 42 | V | 90.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | trans | -89.4 | 94.5 | 177.6 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | F35 L36 K39 S40 | F35-V42 HydrophobicContact CB-CG2 4.07Å; L36-V42 HydrophobicContact CD1-CG1 3.75Å; K39-V42 HydrophobicContact CB-CG2 4.32Å; K39-V42 PolarHBondContact O-N 3.46Å; S40-V42 VanDerWaalsContact C-N 3.29Å; S40-V42 PolarHBondContact O-N 3.32Å | ||
| 43 | I | 89.8 | Confident | 89.4 | Confident | 38 Ų | 38 | 91.6 Ų | 91.6 | 20% | 0.195 | 46% | 0.457 | C | S | . | . | trans | -108.5 | 118.9 | -177.5 | -63.2 | 178.7 | 0 | 0 | 0 | 110 | S40 D41 N45 K46 P50 P52 | S40-I43 WeakPolarHBondContact O-CG1 3.37Å; D41-I43 PolarHBondContact O-N 3.31Å; I43-N45 VanDerWaalsContact CG2-C 3.43Å; I43-N45 WeakPolarHBondContact CG2-O 3.38Å; I43-K46 HydrophobicContact CG2-CG 4.12Å; I43-P50 HydrophobicContact CD1-CB 3.98Å; I43-P50 HydrophobicContact CD1-CG 3.66Å; I43-P50 HydrophobicContact CG2-CG 4.15Å; I43-P52 HydrophobicContact CD1-CB 3.71Å; I43-P52 HydrophobicContact CD1-CG 3.79Å; I43-P52 HydrophobicContact CG1-CB 4.5Å | ||
| 44 | L | 90.5 | Very high | 88.9 | Confident | 149 Ų | 149 | 90 Ų | 90 | 78% | 0.78 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -80 | -37.2 | 172.7 | -62.5 | -176.9 | 0 | 0 | 0 | 112.4 | L36 | L36-L44 HydrophobicContact CD1-CD1 3.96Å; L36-L44 HydrophobicContact CD1-CD2 3.8Å; L36-L44 HydrophobicContact CD1-CG 3.83Å |
| 45 | N | 89.3 | Confident | 88.4 | Confident | 118 Ų | 118 | 94.4 Ų | 94.4 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | trans | -110.4 | 109.4 | 179.3 | -176 | 1.6 | 0 | 0 | 0 | 110.8 | I43 S47 | I43-N45 VanDerWaalsContact CG2-C 3.43Å; I43-N45 WeakPolarHBondContact CG2-O 3.38Å; N45-S47 VanDerWaalsContact C-N 3.35Å; N45-S47 WeakPolarHBondContact OD1-CB 3.32Å; N45-S47 PolarHBondContact OD1-N 3.32Å | ||
| 46 | K | 87.6 | Confident | 88.2 | Confident | 162 Ų | 162 | 92.6 Ų | 92.6 | 70% | 0.704 | 46% | 0.458 | S | S | * | . | trans | -92.4 | 12.9 | 178.8 | -64.9 | -173.1 | 179.5 | -176.6 | 0 | 114 | I43 E48 N49 P50 | I43-K46 HydrophobicContact CG2-CG 4.12Å; K46-E48 PolarHBondContact O-N 2.94Å; K46-N49 PolarHBondContact O-N 3.04Å; K46-P50 WeakPolarHBondContact O-CD 2.93Å | ||
| 47 | S | 87.4 | Confident | 87.8 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 54% | 0.538 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 139.6 | 173.5 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | N45 N49 | N45-S47 VanDerWaalsContact C-N 3.35Å; N45-S47 WeakPolarHBondContact OD1-CB 3.32Å; N45-S47 PolarHBondContact OD1-N 3.32Å; S47-N49 VanDerWaalsContact C-N 3.3Å; S47-N49 PolarHBondContact O-N 3.45Å |
| 48 | E | 84.1 | Confident | 87.5 | Confident | 185 Ų | 185 | 86.1 Ų | 86.1 | 86% | 0.864 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 18 | 179.4 | -50.8 | -177.5 | 168.5 | 0 | 0 | 116.2 | K46 | K46-E48 PolarHBondContact O-N 2.94Š|
| 49 | N | 82.1 | Confident | 87.2 | Confident | 133 Ų | 133 | 86.7 Ų | 86.7 | 71% | 0.711 | 44% | 0.44 | S | S | * | . | trans | 50.8 | 61.9 | 175.9 | -170.1 | 52.5 | 0 | 0 | 0 | 113 | K46 S47 | K46-N49 PolarHBondContact O-N 3.04Å; S47-N49 VanDerWaalsContact C-N 3.3Å; S47-N49 PolarHBondContact O-N 3.45Å | ||
| 50 | P | 84.9 | Confident | 87 | Confident | 26 Ų | 26 | 91.3 Ų | 91.3 | 17% | 0.169 | 46% | 0.46 | C | S | . | . | trans | -62.6 | 144.9 | -176.9 | 27.2 | -34.6 | 0 | 0 | 0 | 110.9 | I43 K46 P52 | I43-P50 HydrophobicContact CD1-CB 3.98Å; I43-P50 HydrophobicContact CD1-CG 3.66Å; I43-P50 HydrophobicContact CG2-CG 4.15Å; K46-P50 WeakPolarHBondContact O-CD 2.93Å; P50-P52 VanDerWaalsContact C-CD 3.44Å; P50-P52 WeakPolarHBondContact O-CD 3.07Å | ||
| 51 | E | 89.4 | Confident | 86.9 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 36% | 0.36 | 48% | 0.475 | S | S | . | . | trans | -99.1 | 86.1 | 172.7 | -63.5 | -173.4 | -172.1 | 0 | 0 | 110.3 | W53 E54 | E51-W53 HydrophobicContact CB-CD2 4.49Å; E51-W53 HydrophobicContact CB-CZ2 3.89Å; E51-W53 HydrophobicContact CG-CZ2 3.82Å; E51-W53 PolarHBondContact O-N 3.31Å; E51-W53 VanDerWaalsContact O-N 3.17Å; E51-E54 HydrophobicContact CB-CB 4.33Å; E51-E54 HydrophobicContact CB-CG 3.76Å; E51-E54 WeakPolarHBondContact O-CB 3.35Å; E51-E54 PolarHBondContact O-N 2.9Å; E51-E54 VanDerWaalsContact OE2-CG 3.31Å; E51-E54 WeakPolarHBondContact OE2-CG 3.45Å | ||
| 52 | P | 88 | Confident | 86.8 | Confident | 20 Ų | 20 | 92.5 Ų | 92.5 | 13% | 0.13 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -56.6 | -33.4 | -173.1 | 9.4 | -23.1 | 0 | 0 | 0 | 114.7 | S40 I43 P50 E54 R55 | S40-P52 WeakPolarHBondContact O-CB 3.19Å; S40-P52 PolarHBondContact OG-O 3.22Å; I43-P52 HydrophobicContact CD1-CB 3.71Å; I43-P52 HydrophobicContact CD1-CG 3.79Å; I43-P52 HydrophobicContact CG1-CB 4.5Å; P50-P52 VanDerWaalsContact C-CD 3.44Å; P50-P52 WeakPolarHBondContact O-CD 3.07Å; P52-E54 VanDerWaalsContact C-N 3.25Å; P52-E54 PolarHBondContact O-N 3.48Å; P52-R55 PolarHBondContact O-N 3.04Å |
| 53 | W | 85.8 | Confident | 86.6 | Confident | 164 Ų | 164 | 97 Ų | 97 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -66.3 | -26.2 | 179.2 | 52.1 | 80.5 | 0 | 0 | 0 | 112.7 | E51 R55 L56 | E51-W53 HydrophobicContact CB-CD2 4.49Å; E51-W53 HydrophobicContact CB-CZ2 3.89Å; E51-W53 HydrophobicContact CG-CZ2 3.82Å; E51-W53 PolarHBondContact O-N 3.31Å; E51-W53 VanDerWaalsContact O-N 3.17Å; W53-R55 PolarHBondContact O-N 3.36Å; W53-L56 HydrophobicContact CB-CD1 4.28Å; W53-L56 WeakPolarHBondContact O-CB 3.44Å; W53-L56 PolarHBondContact O-N 3.38Å |
| 54 | E | 86.1 | Confident | 86.5 | Confident | 51 Ų | 51 | 101.7 Ų | 101.7 | 24% | 0.238 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -73.5 | -16.6 | 177.9 | -68.2 | -166.4 | 114.4 | 0 | 0 | 113.7 | E51 P52 K81 K85 | E51-E54 HydrophobicContact CB-CB 4.33Å; E51-E54 HydrophobicContact CB-CG 3.76Å; E51-E54 WeakPolarHBondContact O-CB 3.35Å; E51-E54 PolarHBondContact O-N 2.9Å; E51-E54 VanDerWaalsContact OE2-CG 3.31Å; E51-E54 WeakPolarHBondContact OE2-CG 3.45Å; P52-E54 VanDerWaalsContact C-N 3.25Å; P52-E54 PolarHBondContact O-N 3.48Å; E54-K81 PolarHBondContact O-NZ 3.22Å; E54-K85 VanDerWaalsContact CD-NZ 3.34Å; E54-K85 WeakPolarHBondContact OE1-CE 3.31Å; E54-K85 IonicContact OE1-NZ 3.31Å; E54-K85 PolarHBondContact OE1-NZ 3.29Å; E54-K85 IonicContact OE2-NZ 2.55Å; E54-K85 PolarHBondContact OE2-NZ 2.89Å |
| 55 | R | 85.6 | Confident | 86.4 | Confident | 165 Ų | 165 | 101 Ų | 101 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -91.8 | -3.1 | 179.2 | -59.4 | 178.8 | -177.5 | 165.5 | -0.1 | 112.4 | P52 W53 | P52-R55 PolarHBondContact O-N 3.04Å; W53-R55 PolarHBondContact O-N 3.36Å |
| 56 | L | 87.3 | Confident | 86.5 | Confident | 63 Ų | 63 | 97.8 Ų | 97.8 | 33% | 0.33 | 49% | 0.486 | S | S | . | . | trans | -70.1 | 129.6 | 177.7 | -68.8 | 169.8 | 0 | 0 | 0 | 110.1 | S40 W53 P58 | S40-L56 WeakPolarHBondContact OG-CD2 3.47Å; W53-L56 HydrophobicContact CB-CD1 4.28Å; W53-L56 WeakPolarHBondContact O-CB 3.44Å; W53-L56 PolarHBondContact O-N 3.38Å; L56-P58 WeakPolarHBondContact O-CD 3.3Å | ||
| 57 | D | 86.4 | Confident | 86.6 | Confident | 57 Ų | 57 | 96.7 Ų | 96.7 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | trans | -87.8 | 110.9 | 171.1 | -177.7 | -9.4 | 0 | 0 | 0 | 109.2 | S59 K60 Q62 | D57-S59 PolarHBondContact O-N 3.36Å; D57-S59 VanDerWaalsContact OD1-CB 3.22Å; D57-S59 WeakPolarHBondContact OD1-CB 3.16Å; D57-S59 PolarHBondContact OD1-N 3.23Å; D57-S59 PolarHBondContact OD1-OG 3.17Å; D57-K60 HydrophobicContact CB-CB 4.36Å; D57-K60 HydrophobicContact CB-CD 4.23Å; D57-K60 HydrophobicContact CB-CG 4.38Å; D57-K60 PolarHBondContact O-N 3.29Å; D57-K60 VanDerWaalsContact OD2-CD 3.23Å; D57-K60 WeakPolarHBondContact OD2-CD 3.31Å; D57-K60 WeakPolarHBondContact OD2-CE 3.47Å; D57-K60 WeakPolarHBondContact OD2-CG 3.19Å; D57-K60 IonicContact OD2-NZ 3.64Å; D57-Q62 PolarHBondContact O-NE2 3.17Å | ||
| 58 | P | 84.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 99.7 Ų | 99.7 | 20% | 0.195 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -20.5 | -179.2 | 28 | -34.4 | 0 | 0 | 0 | 112.6 | L56 K60 W71 P73 | L56-P58 WeakPolarHBondContact O-CD 3.3Å; P58-K60 VanDerWaalsContact C-N 3.28Å; P58-K60 PolarHBondContact O-N 3.05Å; P58-W71 HydrophobicContact CB-CE3 3.7Å; P58-W71 HydrophobicContact CB-CZ3 4.13Å; P58-P73 HydrophobicContact CG-CB 3.98Å |
| 59 | S | 84.1 | Confident | 86.6 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 61% | 0.608 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.4 | -178.7 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | D57 | D57-S59 PolarHBondContact O-N 3.36Å; D57-S59 VanDerWaalsContact OD1-CB 3.22Å; D57-S59 WeakPolarHBondContact OD1-CB 3.16Å; D57-S59 PolarHBondContact OD1-N 3.23Å; D57-S59 PolarHBondContact OD1-OG 3.17Å |
| 60 | K | 86.1 | Confident | 86.6 | Confident | 127 Ų | 127 | 94.6 Ų | 94.6 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -105.6 | 147.4 | -177 | -72.4 | 179.1 | -177.4 | 166.5 | 0 | 112.5 | D57 P58 Q62 Q69 | D57-K60 HydrophobicContact CB-CB 4.36Å; D57-K60 HydrophobicContact CB-CD 4.23Å; D57-K60 HydrophobicContact CB-CG 4.38Å; D57-K60 PolarHBondContact O-N 3.29Å; D57-K60 VanDerWaalsContact OD2-CD 3.23Å; D57-K60 WeakPolarHBondContact OD2-CD 3.31Å; D57-K60 WeakPolarHBondContact OD2-CE 3.47Å; D57-K60 WeakPolarHBondContact OD2-CG 3.19Å; D57-K60 IonicContact OD2-NZ 3.64Å; P58-K60 VanDerWaalsContact C-N 3.28Å; P58-K60 PolarHBondContact O-N 3.05Å; K60-Q62 PolarHBondContact O-N 3.38Å; K60-Q62 PolarHBondContact O-NE2 3.29Å; K60-Q69 VanDerWaalsContact C-NE2 3.33Å; K60-Q69 PolarHBondContact O-NE2 3.17Å |
| 61 | P | 87.6 | Confident | 86.4 | Confident | 82 Ų | 82 | 102.1 Ų | 102.1 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | trans | -60 | 122.4 | 170.9 | -25.9 | 35.9 | 0 | 0 | 0 | 113.8 | Q69 | P61-Q69 VanDerWaalsContact CA-OE1 3.24Š| ||
| 62 | Q | 84.5 | Confident | 86.1 | Confident | 69 Ų | 69 | 105.5 Ų | 105.5 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | trans | -92 | -16.3 | -179.2 | -63.1 | -56.2 | -26.8 | 0 | 0 | 113.4 | K39 D57 K60 | K39-Q62 WeakPolarHBondContact CE-O 3.37Å; K39-Q62 PolarHBondContact NZ-O 2.92Å; D57-Q62 PolarHBondContact O-NE2 3.17Å; K60-Q62 PolarHBondContact O-N 3.38Å; K60-Q62 PolarHBondContact O-NE2 3.29Å | ||
| 63 | K | 87.8 | Confident | 85.9 | Confident | 156 Ų | 156 | 107.4 Ų | 107.4 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -99.8 | 157.4 | 176.6 | -62.5 | -178 | -177.8 | 179.6 | 0 | 110.7 | I65 T66 | K63-I65 WeakPolarHBondContact CB-O 3.22Å; K63-I65 PolarHBondContact O-N 3.29Å; K63-T66 PolarHBondContact O-OG1 2.98Å |
| 64 | L | 86.6 | Confident | 86.1 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 72% | 0.723 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -56.4 | -37.8 | 175.2 | -175.2 | 68 | 0 | 0 | 0 | 111.6 | Y34 | Y34-L64 HydrophobicContact CE1-CD1 4.18Å; Y34-L64 HydrophobicContact CE2-CD1 4.43Å |
| 65 | I | 89.9 | Confident | 86.3 | Confident | 133 Ų | 133 | 108.3 Ų | 108.3 | 68% | 0.682 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -129.8 | 128.7 | 173.3 | -57.2 | 175.4 | 0 | 0 | 0 | 107 | K63 | K63-I65 WeakPolarHBondContact CB-O 3.22Å; K63-I65 PolarHBondContact O-N 3.29Å |
| 66 | T | 90.3 | Very high | 86.5 | Confident | 52 Ų | 52 | 105 Ų | 105 | 32% | 0.319 | 53% | 0.533 | S | S | . | . | trans | -130.5 | 134.3 | 176 | -41.6 | 0 | 0 | 0 | 0 | 110 | K63 Q69 | K63-T66 PolarHBondContact O-OG1 2.98Å; T66-Q69 HydrophobicContact CG2-CB 3.74Å; T66-Q69 HydrophobicContact CG2-CG 4.4Å | ||
| 67 | I | 89.9 | Confident | 86.6 | Confident | 139 Ų | 139 | 107.7 Ų | 107.7 | 71% | 0.713 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -119.8 | 127.5 | 177.9 | -57.2 | 173.5 | 0 | 0 | 0 | 106.6 | Q69 | I67-Q69 PolarHBondContact O-N 3.42Š|
| 68 | N | 87.6 | Confident | 86.6 | Confident | 140 Ų | 140 | 110.2 Ų | 110.2 | 75% | 0.749 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 52.2 | 49.4 | 177.4 | -58.4 | -31.5 | 0 | 0 | 0 | 113.6 | Q70 | N68-Q70 PolarHBondContact O-N 3.09Š|
| 69 | Q | 83.6 | Confident | 87 | Confident | 63 Ų | 63 | 114.4 Ų | 114.4 | 29% | 0.294 | 58% | 0.576 | S | S | . | * | trans | -60.2 | 123.3 | 176.2 | -178.6 | 159 | -52.2 | 0 | 0 | 110.8 | K60 P61 T66 I67 W71 | K60-Q69 VanDerWaalsContact C-NE2 3.33Å; K60-Q69 PolarHBondContact O-NE2 3.17Å; P61-Q69 VanDerWaalsContact CA-OE1 3.24Å; T66-Q69 HydrophobicContact CG2-CB 3.74Å; T66-Q69 HydrophobicContact CG2-CG 4.4Å; I67-Q69 PolarHBondContact O-N 3.42Å; Q69-W71 HydrophobicContact CG-CB 4.06Å | ||
| 70 | Q | 82.9 | Confident | 87.3 | Confident | 147 Ų | 147 | 114.4 Ų | 114.4 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | trans | -109.4 | 7.2 | 177.6 | -62.7 | -61.9 | -28.7 | 0 | 0 | 113.1 | N68 K72 | N68-Q70 PolarHBondContact O-N 3.09Å; Q70-K72 PolarHBondContact O-N 3.47Å | ||
| 71 | W | 80.3 | Confident | 87.3 | Confident | 185 Ų | 185 | 112.5 Ų | 112.5 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | trans | -64.9 | 125.8 | 179.3 | -109.9 | 85.5 | 0 | 0 | 0 | 110.1 | P58 Q69 | P58-W71 HydrophobicContact CB-CE3 3.7Å; P58-W71 HydrophobicContact CB-CZ3 4.13Å; Q69-W71 HydrophobicContact CG-CB 4.06Å | ||
| 72 | K | 82.7 | Confident | 87.4 | Confident | 147 Ų | 147 | 112.6 Ų | 112.6 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | trans | -131 | 149.2 | 178.9 | -66.7 | -176.3 | -176.3 | -178.4 | 0 | 109 | Q70 | Q70-K72 PolarHBondContact O-N 3.47Š| ||
| 73 | P | 85.3 | Confident | 87.8 | Confident | 60 Ų | 60 | 115.4 Ų | 115.4 | 39% | 0.39 | 58% | 0.58 | S | S | . | * | trans | -58.2 | 140.8 | 171.6 | 24 | -32 | 0 | 0 | 0 | 110.1 | P58 E78 | P58-P73 HydrophobicContact CG-CB 3.98Å; P73-E78 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 74 | V | 89.4 | Confident | 87.7 | Confident | 68 Ų | 68 | 113.3 Ų | 113.3 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | trans | -98.8 | 110.7 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | T76 L77 E78 | V74-T76 VanDerWaalsContact CG1-OG1 3.31Å; V74-T76 WeakPolarHBondContact CG1-OG1 3.21Å; V74-T76 PolarHBondContact O-N 3.28Å; V74-L77 HydrophobicContact CB-CB 4.23Å; V74-L77 HydrophobicContact CB-CD1 3.92Å; V74-L77 HydrophobicContact CB-CG 4.01Å; V74-L77 HydrophobicContact CG1-CD1 4.38Å; V74-L77 HydrophobicContact CG1-CG 4.11Å; V74-L77 HydrophobicContact CG2-CD1 4.2Å; V74-L77 WeakPolarHBondContact O-CB 3.38Å; V74-L77 PolarHBondContact O-N 3.26Å; V74-E78 PolarHBondContact O-N 3.13Å; V74-E78 VanDerWaalsContact O-N 3.17Å | ||
| 75 | E | 89.8 | Confident | 86.9 | Confident | 166 Ų | 166 | 115.4 Ų | 115.4 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -54.8 | -38.4 | -174.8 | -65 | 178.6 | -179.6 | 0 | 0 | 112.7 | L77 E78 M79 | E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.16Å; E75-E78 PolarHBondContact O-N 2.81Å; E75-M79 WeakPolarHBondContact O-CB 3.49Å; E75-M79 PolarHBondContact O-N 3.4Å |
| 76 | T | 90.6 | Very high | 86.8 | Confident | 97 Ų | 97 | 114.6 Ų | 114.6 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.8 | -37.2 | 178.1 | 56 | 0 | 0 | 0 | 0 | 112.6 | V74 V80 | V74-T76 VanDerWaalsContact CG1-OG1 3.31Å; V74-T76 WeakPolarHBondContact CG1-OG1 3.21Å; V74-T76 PolarHBondContact O-N 3.28Å; T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.23Å; T76-V80 PolarHBondContact O-N 2.9Å; T76-V80 VanDerWaalsContact O-N 3.09Å |
| 77 | L | 87.9 | Confident | 86.6 | Confident | 118 Ų | 118 | 117.8 Ų | 117.8 | 62% | 0.618 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.5 | -40.7 | 176.6 | -68.2 | 179.7 | 0 | 0 | 0 | 111.1 | V74 E75 V80 K81 | V74-L77 HydrophobicContact CB-CB 4.23Å; V74-L77 HydrophobicContact CB-CD1 3.92Å; V74-L77 HydrophobicContact CB-CG 4.01Å; V74-L77 HydrophobicContact CG1-CD1 4.38Å; V74-L77 HydrophobicContact CG1-CG 4.11Å; V74-L77 HydrophobicContact CG2-CD1 4.2Å; V74-L77 WeakPolarHBondContact O-CB 3.38Å; V74-L77 PolarHBondContact O-N 3.26Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.16Å; L77-V80 PolarHBondContact O-N 3.42Å; L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.35Å |
| 78 | E | 87.5 | Confident | 86.4 | Confident | 111 Ų | 111 | 116.7 Ų | 116.7 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.9 | -41.4 | 176.5 | -66 | -171.6 | 167.8 | 0 | 0 | 111.7 | P73 V74 E75 K81 S82 | P73-E78 WeakPolarHBondContact CB-OE1 3.33Å; V74-E78 PolarHBondContact O-N 3.13Å; V74-E78 VanDerWaalsContact O-N 3.17Å; E75-E78 PolarHBondContact O-N 2.81Å; E78-K81 PolarHBondContact O-N 3.29Å; E78-S82 PolarHBondContact O-N 2.99Å |
| 79 | M | 92.4 | Very high | 86.3 | Confident | 118 Ų | 118 | 115.3 Ų | 115.3 | 58% | 0.581 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.3 | -50.2 | 176.9 | -159.6 | -161.1 | -170.5 | 0 | 0 | 111.1 | E75 K81 S82 M83 | E75-M79 WeakPolarHBondContact O-CB 3.49Å; E75-M79 PolarHBondContact O-N 3.4Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.68Å; M79-S82 PolarHBondContact O-N 3.5Å; M79-S82 PolarHBondContact O-OG 2.98Å; M79-M83 HydrophobicContact CE-CE 3.59Å; M79-M83 HydrophobicContact CG-CE 3.52Å; M79-M83 WeakPolarHBondContact O-CG 3.48Å; M79-M83 PolarHBondContact O-N 3.32Å; M79-M83 HydrophobicContact SD-CE 3.64Å |
| 80 | V | 90.9 | Very high | 86.5 | Confident | 86 Ų | 86 | 118.6 Ų | 118.6 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.7 | -41 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | T76 L77 S82 M83 T84 | T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.23Å; T76-V80 PolarHBondContact O-N 2.9Å; T76-V80 VanDerWaalsContact O-N 3.09Å; L77-V80 PolarHBondContact O-N 3.42Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.31Å; V80-M83 PolarHBondContact O-N 2.98Å; V80-M83 VanDerWaalsContact O-N 3.13Å; V80-T84 PolarHBondContact O-N 2.55Å; V80-T84 VanDerWaalsContact O-N 3.16Å; V80-T84 PolarHBondContact O-OG1 2.9Å |
| 81 | K | 86.3 | Confident | 86.8 | Confident | 88 Ų | 88 | 116.7 Ų | 116.7 | 38% | 0.383 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.9 | -41.4 | 177.2 | -169 | 176.2 | -173.5 | 179.3 | 0 | 111.8 | E54 L77 E78 M79 M83 T84 K85 | E54-K81 PolarHBondContact O-NZ 3.22Å; L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.35Å; E78-K81 PolarHBondContact O-N 3.29Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.68Å; K81-M83 VanDerWaalsContact C-N 3.26Å; K81-M83 PolarHBondContact O-N 3.31Å; K81-T84 PolarHBondContact O-N 3.32Å; K81-K85 PolarHBondContact O-N 3.36Å |
| 82 | S | 88.6 | Confident | 87.2 | Confident | 83 Ų | 83 | 111.8 Ų | 111.8 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.6 | -21.9 | 177.7 | 75.5 | 0 | 0 | 0 | 0 | 114.4 | E78 M79 V80 | E78-S82 PolarHBondContact O-N 2.99Å; M79-S82 PolarHBondContact O-N 3.5Å; M79-S82 PolarHBondContact O-OG 2.98Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.31Å |
| 83 | M | 92.6 | Very high | 87.6 | Confident | 128 Ų | 128 | 109.1 Ų | 109.1 | 63% | 0.631 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -88.7 | -21.9 | 176.4 | -62.7 | -174.5 | -147.3 | 0 | 0 | 113.5 | M79 V80 K81 | M79-M83 HydrophobicContact CE-CE 3.59Å; M79-M83 HydrophobicContact CG-CE 3.52Å; M79-M83 WeakPolarHBondContact O-CG 3.48Å; M79-M83 PolarHBondContact O-N 3.32Å; M79-M83 HydrophobicContact SD-CE 3.64Å; V80-M83 PolarHBondContact O-N 2.98Å; V80-M83 VanDerWaalsContact O-N 3.13Å; K81-M83 VanDerWaalsContact C-N 3.26Å; K81-M83 PolarHBondContact O-N 3.31Å |
| 84 | T | 87.4 | Confident | 87.8 | Confident | 112 Ų | 112 | 113.2 Ų | 113.2 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -97.4 | -23.9 | -170.4 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | V80 K81 | V80-T84 PolarHBondContact O-N 2.55Å; V80-T84 VanDerWaalsContact O-N 3.16Å; V80-T84 PolarHBondContact O-OG1 2.9Å; K81-T84 PolarHBondContact O-N 3.32Å |
| 85 | K | 69.8 | Low | 87.6 | Confident | 183 Ų | 183 | 117.3 Ų | 117.3 | 80% | 0.796 | 61% | 0.608 | S | S | * | * | trans | -113.2 | 0 | 179.2 | -73.9 | -169.6 | 172.2 | -170.6 | 0 | 111.4 | E54 K81 | E54-K85 VanDerWaalsContact CD-NZ 3.34Å; E54-K85 WeakPolarHBondContact OE1-CE 3.31Å; E54-K85 IonicContact OE1-NZ 3.31Å; E54-K85 PolarHBondContact OE1-NZ 3.29Å; E54-K85 IonicContact OE2-NZ 2.55Å; E54-K85 PolarHBondContact OE2-NZ 2.89Å; K81-K85 PolarHBondContact O-N 3.36Å |
Retrieved 85 of 85 residues in 380.5 ms
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