| 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 | A | 30.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 107.6 Ų | 107.6 | 100% | 1.025 | 61% | 0.613 | S | S | * | * | 0 | -44 | 0 | 0 | 0 | 0 | 0 | 0 | 112.2 | A3 W4 | A1-A3 PolarHBondContact O-N 3.13Å; A1-W4 PolarHBondContact O-N 2.87Å | |||
| 2 | E | 25.7 | Very low | 34 | Very low | 174 Ų | 174 | 117 Ų | 117 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -32 | -177 | -74.3 | 176.7 | 118 | 0 | 0 | 115.8 | W4 H5 | E2-W4 PolarHBondContact O-N 3.25Å; E2-H5 PolarHBondContact O-N 3.42Å |
| 3 | A | 29.7 | Very low | 34.4 | Very low | 85 Ų | 85 | 109.5 Ų | 109.5 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.5 | -24.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1 | A1-A3 PolarHBondContact O-N 3.13Å |
| 4 | W | 31.3 | Very low | 34.8 | Very low | 129 Ų | 129 | 103.8 Ų | 103.8 | 49% | 0.489 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -79 | -21 | -177.2 | -161.8 | 51.7 | 0 | 0 | 0 | 113.1 | A1 E2 Q8 T18 | A1-W4 PolarHBondContact O-N 2.87Å; E2-W4 PolarHBondContact O-N 3.25Å; W4-Q8 VanDerWaalsContact O-CG 3.24Å; W4-Q8 WeakPolarHBondContact O-CG 3.3Å; W4-T18 HydrophobicContact CZ2-CG2 4.49Å |
| 5 | H | 29.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 105.3 Ų | 105.3 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -81.5 | -24.5 | 179.9 | -82.1 | -123.7 | 0 | 0 | 0 | 113 | E2 | E2-H5 PolarHBondContact O-N 3.42Å |
| 6 | K | 33.4 | Very low | 35.8 | Very low | 200 Ų | 200 | 103.4 Ų | 103.4 | 87% | 0.87 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -14.6 | -177.1 | -72.6 | -176 | 178.1 | 178.6 | 0 | 114.3 | ||
| 7 | S | 36.6 | Very low | 36.5 | Very low | 81 Ų | 81 | 98.9 Ų | 98.9 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | 19.4 | -178.7 | 55.8 | 0 | 0 | 0 | 0 | 113 | P9 | S7-P9 WeakPolarHBondContact O-CD 3.47Š|
| 8 | Q | 33.8 | Very low | 37 | Very low | 47 Ų | 47 | 94.1 Ų | 94.1 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | trans | -68.8 | 123.5 | 173.3 | -67.1 | -128.6 | -21.2 | 0 | 0 | 108.8 | W4 S10 R15 | W4-Q8 VanDerWaalsContact O-CG 3.24Å; W4-Q8 WeakPolarHBondContact O-CG 3.3Å; Q8-S10 PolarHBondContact O-N 3.06Å; Q8-R15 HydrophobicContact CB-CG 4.46Å | ||
| 9 | P | 40.2 | Very low | 37.3 | Very low | 38 Ų | 38 | 94.3 Ų | 94.3 | 25% | 0.247 | 50% | 0.499 | C | S | . | . | trans | -62.7 | 141.1 | 179.5 | 27.9 | -35.2 | 0 | 0 | 0 | 109.4 | S7 S11 A14 | S7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-S11 PolarHBondContact O-N 3.25Å; P9-A14 HydrophobicContact CB-CB 3.31Å; P9-A14 VanDerWaalsContact CG-C 3.4Å; P9-A14 HydrophobicContact CG-CB 3.23Å | ||
| 10 | S | 38.2 | Very low | 37.7 | Very low | 130 Ų | 130 | 92.2 Ų | 92.2 | 91% | 0.909 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -66.1 | -24 | -167.5 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | Q8 | Q8-S10 PolarHBondContact O-N 3.06Š|
| 11 | S | 37.3 | Very low | 38 | Very low | 38 Ų | 38 | 89 Ų | 89 | 27% | 0.266 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -87.7 | 142 | 177.8 | 83.7 | 0 | 0 | 0 | 0 | 111.8 | P9 A13 A14 R15 E67 | P9-S11 PolarHBondContact O-N 3.25Å; S11-A13 PolarHBondContact O-N 2.84Å; S11-A14 PolarHBondContact O-N 3.35Å; S11-A14 VanDerWaalsContact O-N 3.14Å; S11-A14 WeakPolarHBondContact OG-CB 3.4Å; S11-A14 PolarHBondContact OG-N 3.17Å; S11-R15 PolarHBondContact O-N 2.88Å; S11-R15 VanDerWaalsContact O-N 3.09Å; S11-E67 PolarHBondContact OG-OE1 3.14Å |
| 12 | R | 41.2 | Very low | 38.5 | Very low | 220 Ų | 220 | 85.6 Ų | 85.6 | 83% | 0.83 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.7 | -35.9 | 176.5 | -171.9 | 177.8 | -176.9 | 172.7 | 0.3 | 111.5 | R15 Y16 | R12-R15 PolarHBondContact O-N 3.43Å; R12-Y16 WeakPolarHBondContact O-CB 3.41Å; R12-Y16 PolarHBondContact O-N 3.16Å |
| 13 | A | 39.8 | Very low | 39.3 | Very low | 19 Ų | 19 | 81.1 Ų | 81.1 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.9 | -50 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | S11 R15 Y16 M17 E67 | S11-A13 PolarHBondContact O-N 2.84Å; A13-R15 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 3.15Å; A13-Y16 WeakPolarHBondContact O-CB 3.19Å; A13-Y16 PolarHBondContact O-N 3.21Å; A13-M17 WeakPolarHBondContact O-CB 3.32Å; A13-M17 WeakPolarHBondContact O-CG 3.49Å; A13-M17 PolarHBondContact O-N 3.07Å; A13-E67 HydrophobicContact CB-CG 4.06Å |
| 14 | A | 40 | Very low | 39.6 | Very low | 30 Ų | 30 | 81.7 Ų | 81.7 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.2 | -32.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P9 S11 T18 | P9-A14 HydrophobicContact CB-CB 3.31Å; P9-A14 VanDerWaalsContact CG-C 3.4Å; P9-A14 HydrophobicContact CG-CB 3.23Å; S11-A14 PolarHBondContact O-N 3.35Å; S11-A14 VanDerWaalsContact O-N 3.14Å; S11-A14 WeakPolarHBondContact OG-CB 3.4Å; S11-A14 PolarHBondContact OG-N 3.17Å; A14-T18 WeakPolarHBondContact O-CB 3.18Å; A14-T18 PolarHBondContact O-N 3.43Å; A14-T18 PolarHBondContact O-OG1 3.22Å |
| 15 | R | 42.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 80.9 Ų | 80.9 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 169 | -79.4 | 178.4 | 152.2 | 173.7 | -0.7 | 112.4 | Q8 S11 R12 A13 T18 L19 | Q8-R15 HydrophobicContact CB-CG 4.46Å; S11-R15 PolarHBondContact O-N 2.88Å; S11-R15 VanDerWaalsContact O-N 3.09Å; R12-R15 PolarHBondContact O-N 3.43Å; A13-R15 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 3.15Å; R15-T18 PolarHBondContact O-N 3.3Å; R15-L19 PolarHBondContact O-N 3.45Å |
| 16 | Y | 43.4 | Very low | 40.6 | Very low | 75 Ų | 75 | 79.9 Ų | 79.9 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | -179.1 | -151 | -94.7 | 0 | 0 | 0 | 111.6 | R12 A13 L19 H20 | R12-Y16 WeakPolarHBondContact O-CB 3.41Å; R12-Y16 PolarHBondContact O-N 3.16Å; A13-Y16 WeakPolarHBondContact O-CB 3.19Å; A13-Y16 PolarHBondContact O-N 3.21Å; Y16-L19 PolarHBondContact O-N 3.49Å; Y16-H20 AromaticContact CD1-CD2 3.52Å; Y16-H20 AromaticContact CD1-NE2 3.89Å; Y16-H20 AromaticContact CE1-CD2 3.19Å; Y16-H20 WeakPolarHBondContact CE1-CD2 3.19Å; Y16-H20 AromaticContact CE1-NE2 3.19Å; Y16-H20 WeakPolarHBondContact CE1-NE2 2.96Å; Y16-H20 AromaticContact CZ-CD2 3.88Å; Y16-H20 AromaticContact CZ-NE2 3.35Å; Y16-H20 VanDerWaalsContact CZ-NE2 3.35Å; Y16-H20 PolarHBondContact O-N 3.01Å; Y16-H20 PolarHBondContact OH-NE2 2.75Å |
| 17 | M | 46.8 | Very low | 40.7 | Very low | 27 Ų | 27 | 74.1 Ų | 74.1 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 175.8 | -63.3 | -59 | -83 | 0 | 0 | 111.9 | A13 H20 C21 L36 L38 | A13-M17 WeakPolarHBondContact O-CB 3.32Å; A13-M17 WeakPolarHBondContact O-CG 3.49Å; A13-M17 PolarHBondContact O-N 3.07Å; M17-H20 PolarHBondContact O-N 3.34Å; M17-C21 WeakPolarHBondContact O-CB 3.24Å; M17-C21 PolarHBondContact O-N 3.02Å; M17-L36 HydrophobicContact CB-CD1 4.29Å; M17-L36 HydrophobicContact CE-CD1 3.21Å; M17-L36 HydrophobicContact CE-CD2 2.92Å; M17-L36 HydrophobicContact CE-CG 3.49Å; M17-L36 VanDerWaalsContact CE-CG 3.49Å; M17-L38 HydrophobicContact CE-CD1 3.34Å; M17-L38 HydrophobicContact SD-CD1 4.11Å |
| 18 | T | 44.9 | Very low | 40.9 | Very low | 11 Ų | 11 | 74.5 Ų | 74.5 | 7% | 0.067 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 172.7 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | W4 A14 R15 H20 A22 L31 | W4-T18 HydrophobicContact CZ2-CG2 4.49Å; A14-T18 WeakPolarHBondContact O-CB 3.18Å; A14-T18 PolarHBondContact O-N 3.43Å; A14-T18 PolarHBondContact O-OG1 3.22Å; R15-T18 PolarHBondContact O-N 3.3Å; T18-H20 PolarHBondContact O-N 3.41Å; T18-A22 WeakPolarHBondContact O-CB 3.43Å; T18-A22 PolarHBondContact O-N 3.4Å; T18-L31 HydrophobicContact CG2-CD1 3.59Å; T18-L31 HydrophobicContact CG2-CD2 3.97Å; T18-L31 HydrophobicContact CG2-CG 4.27Å; T18-L31 WeakPolarHBondContact OG1-CD1 3.49Å; T18-L31 VanDerWaalsContact OG1-CD2 3.24Å; T18-L31 WeakPolarHBondContact OG1-CD2 3.27Å |
| 19 | L | 43.3 | Very low | 41 | Very low | 99 Ų | 99 | 77.6 Ų | 77.6 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | -178.9 | -96.9 | 149.3 | 0 | 0 | 0 | 113.1 | R15 Y16 | R15-L19 PolarHBondContact O-N 3.45Å; Y16-L19 PolarHBondContact O-N 3.49Å |
| 20 | H | 46.2 | Very low | 40.9 | Very low | 51 Ų | 51 | 78.1 Ų | 78.1 | 24% | 0.236 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -91.6 | -35.2 | -176.3 | -70.4 | -21.5 | 0 | 0 | 0 | 113.7 | Y16 M17 T18 L56 | Y16-H20 AromaticContact CD1-CD2 3.52Å; Y16-H20 AromaticContact CD1-NE2 3.89Å; Y16-H20 AromaticContact CE1-CD2 3.19Å; Y16-H20 WeakPolarHBondContact CE1-CD2 3.19Å; Y16-H20 AromaticContact CE1-NE2 3.19Å; Y16-H20 WeakPolarHBondContact CE1-NE2 2.96Å; Y16-H20 AromaticContact CZ-CD2 3.88Å; Y16-H20 AromaticContact CZ-NE2 3.35Å; Y16-H20 VanDerWaalsContact CZ-NE2 3.35Å; Y16-H20 PolarHBondContact O-N 3.01Å; Y16-H20 PolarHBondContact OH-NE2 2.75Å; M17-H20 PolarHBondContact O-N 3.34Å; T18-H20 PolarHBondContact O-N 3.41Å; H20-L56 HydrophobicContact CB-CD2 4.31Å |
| 21 | C | 42.5 | Very low | 40.7 | Very low | 27 Ų | 27 | 75.8 Ų | 75.8 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -77.2 | -31.1 | 174.2 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | M17 A23 C24 H25 | M17-C21 WeakPolarHBondContact O-CB 3.24Å; M17-C21 PolarHBondContact O-N 3.02Å; C21-A23 PolarHBondContact O-N 3.03Å; C21-C24 PolarHBondContact O-N 3.47Å; C21-C24 VanDerWaalsContact O-N 3.16Å; C21-H25 PolarHBondContact O-CD2 2.95Å; C21-H25 PolarHBondContact O-N 3.42Å |
| 22 | A | 42.4 | Very low | 40.5 | Very low | 52 Ų | 52 | 79 Ų | 79 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -26.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T18 H25 | T18-A22 WeakPolarHBondContact O-CB 3.43Å; T18-A22 PolarHBondContact O-N 3.4Å; A22-H25 CarbonylContact O-C 3.47Å |
| 23 | A | 41 | Very low | 40 | Very low | 79 Ų | 79 | 77.1 Ų | 77.1 | 65% | 0.653 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70 | -34.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C21 | C21-A23 PolarHBondContact O-N 3.03Å |
| 24 | C | 37.8 | Very low | 39.7 | Very low | 98 Ų | 98 | 77.9 Ų | 77.9 | 66% | 0.662 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -83.8 | -23.7 | 176.4 | -62.1 | 0 | 0 | 0 | 0 | 113.3 | C21 | C21-C24 PolarHBondContact O-N 3.47Å; C21-C24 VanDerWaalsContact O-N 3.16Å |
| 25 | H | 40 | Very low | 39.4 | Very low | 111 Ų | 111 | 78.9 Ų | 78.9 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -128.1 | 69.9 | -177.7 | -58.8 | -73.7 | 0 | 0 | 0 | 112.1 | C21 A22 G27 T28 | C21-H25 PolarHBondContact O-CD2 2.95Å; C21-H25 PolarHBondContact O-N 3.42Å; A22-H25 CarbonylContact O-C 3.47Å; H25-G27 PolarHBondContact O-N 2.86Å; H25-G27 VanDerWaalsContact O-N 3.15Å; H25-T28 PolarHBondContact O-OG1 3.45Å |
| 26 | P | 40.5 | Very low | 39.3 | Very low | 117 Ų | 117 | 73.7 Ų | 73.7 | 76% | 0.76 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 115.6 | 174.8 | 25.8 | -31.5 | 0 | 0 | 0 | 110.2 | ||
| 27 | G | 36.9 | Very low | 39 | Very low | 79 Ų | 79 | 73 Ų | 73 | 81% | 0.814 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.5 | -8.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | H25 A29 | H25-G27 PolarHBondContact O-N 2.86Å; H25-G27 VanDerWaalsContact O-N 3.15Å; G27-A29 PolarHBondContact O-N 3.03Å; G27-A29 VanDerWaalsContact O-N 3.17Å |
| 28 | T | 40.1 | Very low | 38.7 | Very low | 90 Ų | 90 | 73.1 Ų | 73.1 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | trans | -83.2 | 94.6 | 175.5 | 37.6 | 0 | 0 | 0 | 0 | 110.9 | H25 S30 | H25-T28 PolarHBondContact O-OG1 3.45Å; T28-S30 PolarHBondContact O-N 3.5Å | ||
| 29 | A | 36 | Very low | 38.5 | Very low | 112 Ų | 112 | 76.8 Ų | 76.8 | 93% | 0.926 | 49% | 0.49 | S | S | * | . | trans | -69.4 | 5.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G27 | G27-A29 PolarHBondContact O-N 3.03Å; G27-A29 VanDerWaalsContact O-N 3.17Å | ||
| 30 | S | 37 | Very low | 38.5 | Very low | 48 Ų | 48 | 73 Ų | 73 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | trans | -139 | 95 | -172.1 | -155.4 | 0 | 0 | 0 | 0 | 110.6 | T28 S32 K33 | T28-S30 PolarHBondContact O-N 3.5Å; S30-S32 PolarHBondContact O-N 3Å; S30-S32 VanDerWaalsContact O-N 3.14Å; S30-S32 PolarHBondContact OG-OG 2.95Å; S30-K33 PolarHBondContact O-N 2.83Å | ||
| 31 | L | 34.8 | Very low | 38.1 | Very low | 82 Ų | 82 | 74.4 Ų | 74.4 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -54.5 | -26.7 | 169.9 | -77.9 | 155.7 | 0 | 0 | 0 | 112.6 | T18 K33 V34 | T18-L31 HydrophobicContact CG2-CD1 3.59Å; T18-L31 HydrophobicContact CG2-CD2 3.97Å; T18-L31 HydrophobicContact CG2-CG 4.27Å; T18-L31 WeakPolarHBondContact OG1-CD1 3.49Å; T18-L31 VanDerWaalsContact OG1-CD2 3.24Å; T18-L31 WeakPolarHBondContact OG1-CD2 3.27Å; L31-K33 PolarHBondContact O-N 3.14Å; L31-V34 HydrophobicContact CD2-CG2 4.47Å; L31-V34 PolarHBondContact O-N 2.91Å |
| 32 | S | 33.1 | Very low | 38 | Very low | 105 Ų | 105 | 75.2 Ų | 75.2 | 73% | 0.734 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -67 | -7.3 | 172.2 | 52.8 | 0 | 0 | 0 | 0 | 114.8 | S30 | S30-S32 PolarHBondContact O-N 3Å; S30-S32 VanDerWaalsContact O-N 3.14Å; S30-S32 PolarHBondContact OG-OG 2.95Å |
| 33 | K | 31 | Very low | 37.3 | Very low | 180 Ų | 180 | 77.3 Ų | 77.3 | 78% | 0.783 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -117.6 | 3.4 | 173.1 | -67.9 | -161.4 | 176.3 | -172 | 0 | 113.4 | S30 L31 C35 | S30-K33 PolarHBondContact O-N 2.83Å; L31-K33 PolarHBondContact O-N 3.14Å; K33-C35 VanDerWaalsContact C-N 3.28Å; K33-C35 PolarHBondContact O-N 3.02Å |
| 34 | V | 34.1 | Very low | 36.9 | Very low | 35 Ų | 35 | 79.6 Ų | 79.6 | 21% | 0.212 | 50% | 0.495 | C | S | . | . | trans | -77.5 | 90.9 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 107 | L31 L36 | L31-V34 HydrophobicContact CD2-CG2 4.47Å; L31-V34 PolarHBondContact O-N 2.91Å; V34-L36 HydrophobicContact CG1-CD1 4.2Å; V34-L36 PolarHBondContact O-N 3.25Å; V34-L36 VanDerWaalsContact O-N 3.13Å | ||
| 35 | C | 32.9 | Very low | 36.4 | Very low | 52 Ų | 52 | 78.2 Ų | 78.2 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | trans | -63.6 | 112.6 | 165.4 | -115.5 | 0 | 0 | 0 | 0 | 108 | K33 C37 C94 | K33-C35 VanDerWaalsContact C-N 3.28Å; K33-C35 PolarHBondContact O-N 3.02Å; C35-C37 PolarHBondContact O-N 2.98Å; C35-C94 WeakPolarHBondContact CA-SG 3.45Å; C35-C94 HydrophobicContact CB-CB 4.48Å; C35-C94 WeakPolarHBondContact CB-SG 3.41Å; C35-C94 WeakPolarHBondContact SG-CA 3.24Å; C35-C94 WeakPolarHBondContact SG-CB 3.2Å; C35-C94 CovalentContact SG-SG 2.05Å; C35-C94 PolarHBondContact SG-SG 3.47Å | ||
| 36 | L | 40.2 | Very low | 36.2 | Very low | 18 Ų | 18 | 76.4 Ų | 76.4 | 9% | 0.094 | 50% | 0.501 | C | S | . | . | trans | -96.9 | 95.9 | -165.5 | -161.7 | 122.6 | 0 | 0 | 0 | 108.9 | M17 V34 L38 L91 | M17-L36 HydrophobicContact CB-CD1 4.29Å; M17-L36 HydrophobicContact CE-CD1 3.21Å; M17-L36 HydrophobicContact CE-CD2 2.92Å; M17-L36 HydrophobicContact CE-CG 3.49Å; M17-L36 VanDerWaalsContact CE-CG 3.49Å; V34-L36 HydrophobicContact CG1-CD1 4.2Å; V34-L36 PolarHBondContact O-N 3.25Å; V34-L36 VanDerWaalsContact O-N 3.13Å; L36-L38 HydrophobicContact CD2-CB 4.31Å; L36-L38 HydrophobicContact CD2-CD1 3.84Å; L36-L91 HydrophobicContact CB-CD1 4.23Å; L36-L91 HydrophobicContact CD2-CD1 4.22Å | ||
| 37 | C | 36.7 | Very low | 35.8 | Very low | 60 Ų | 60 | 79.3 Ų | 79.3 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 94.4 | 172.9 | -67.7 | 0 | 0 | 0 | 0 | 108.1 | C35 L88 F97 | C35-C37 PolarHBondContact O-N 2.98Å; C37-L88 HydrophobicContact CB-CD1 4.05Å; C37-F97 WeakPolarHBondContact SG-CD2 3.15Å; C37-F97 WeakPolarHBondContact SG-CE2 3.03Å |
| 38 | L | 42.3 | Very low | 35.6 | Very low | 30 Ų | 30 | 81.9 Ų | 81.9 | 16% | 0.157 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 106.2 | 175.1 | -137.4 | 118 | 0 | 0 | 0 | 108.6 | M17 L36 I40 C60 L64 L88 | M17-L38 HydrophobicContact CE-CD1 3.34Å; M17-L38 HydrophobicContact SD-CD1 4.11Å; L36-L38 HydrophobicContact CD2-CB 4.31Å; L36-L38 HydrophobicContact CD2-CD1 3.84Å; L38-I40 HydrophobicContact CD2-CD1 4.34Å; L38-I40 HydrophobicContact CD2-CG1 3.87Å; L38-I40 PolarHBondContact O-N 2.9Å; L38-C60 HydrophobicContact CD2-CB 3.97Å; L38-L64 HydrophobicContact CD1-CD1 4.04Å; L38-L64 HydrophobicContact CD2-CD1 3.86Å; L38-L64 HydrophobicContact CG-CD1 4.35Å; L38-L88 WeakPolarHBondContact O-CA 3.36Å |
| 39 | V | 39.1 | Very low | 35.1 | Very low | 88 Ų | 88 | 82.8 Ų | 82.8 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 109.6 | 172 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | R86 L88 | V39-R86 HydrophobicContact CG1-CB 4.25Å; V39-R86 HydrophobicContact CG1-CG 4.18Å; V39-L88 HydrophobicContact CG2-CD1 3.78Å |
| 40 | I | 44.2 | Very low | 34.7 | Very low | 18 Ų | 18 | 87.1 Ų | 87.1 | 9% | 0.092 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 110.2 | 173.8 | -55 | 174.2 | 0 | 0 | 0 | 107.3 | L38 T42 R86 Q87 I89 | L38-I40 HydrophobicContact CD2-CD1 4.34Å; L38-I40 HydrophobicContact CD2-CG1 3.87Å; L38-I40 PolarHBondContact O-N 2.9Å; I40-T42 HydrophobicContact CG2-CG2 4.11Å; I40-T42 PolarHBondContact O-N 2.99Å; I40-T42 VanDerWaalsContact O-N 3.14Å; I40-R86 CarbonylContact O-C 3.59Å; I40-R86 VanDerWaalsContact O-CA 3.27Å; I40-R86 WeakPolarHBondContact O-CA 3.46Å; I40-Q87 HydrophobicContact CB-CB 4.45Å; I40-Q87 WeakPolarHBondContact CB-O 3.4Å; I40-Q87 PolarHBondContact N-O 3.48Å; I40-Q87 PolarHBondContact O-N 2.95Å; I40-I89 HydrophobicContact CD1-CD1 4.01Å |
| 41 | D | 38.1 | Very low | 34.4 | Very low | 82 Ų | 82 | 87.7 Ų | 87.7 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 102.1 | 165.9 | -74.4 | -48.4 | 0 | 0 | 0 | 108.5 | L43 I84 R86 | D41-L43 PolarHBondContact O-N 2.68Å; D41-I84 HydrophobicContact CB-CG2 4.31Å; D41-R86 WeakPolarHBondContact OD1-CD 3.5Å; D41-R86 VanDerWaalsContact OD1-CG 3.3Å; D41-R86 WeakPolarHBondContact OD1-CG 3.18Å; D41-R86 IonicContact OD1-CZ 3.66Å; D41-R86 IonicContact OD1-NE 3.86Å; D41-R86 PolarHBondContact OD1-NE 3.48Å; D41-R86 IonicContact OD1-NH2 2.75Å |
| 42 | T | 39.2 | Very low | 34.1 | Very low | 44 Ų | 44 | 92.6 Ų | 92.6 | 27% | 0.27 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 82.6 | 167.9 | 39.4 | 0 | 0 | 0 | 0 | 108.4 | I40 E85 | I40-T42 HydrophobicContact CG2-CG2 4.11Å; I40-T42 PolarHBondContact O-N 2.99Å; I40-T42 VanDerWaalsContact O-N 3.14Å; T42-E85 WeakPolarHBondContact CA-O 3.44Å; T42-E85 PolarHBondContact N-O 3.46Å; T42-E85 PolarHBondContact OG1-O 2.77Å |
| 43 | L | 28.3 | Very low | 34 | Very low | 96 Ų | 96 | 94.7 Ų | 94.7 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | trans | -70.9 | 136.6 | 167.4 | -77.2 | 167.5 | 0 | 0 | 0 | 109.5 | D41 G45 A46 I84 | D41-L43 PolarHBondContact O-N 2.68Å; L43-G45 PolarHBondContact O-N 3.16Å; L43-A46 HydrophobicContact CB-CB 4.41Å; L43-A46 WeakPolarHBondContact O-CB 3.16Å; L43-A46 PolarHBondContact O-N 3.09Å; L43-I84 HydrophobicContact CD2-CD1 4.13Å; L43-I84 HydrophobicContact CD2-CG1 3.93Å; L43-I84 HydrophobicContact CD2-CG2 4.15Å; L43-I84 HydrophobicContact CG-CG2 4.46Å | ||
| 44 | P | 31.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 91.7 Ų | 91.7 | 82% | 0.818 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 105.6 | 168 | -6.9 | 20.6 | 0 | 0 | 0 | 107.7 | ||
| 45 | G | 28.8 | Very low | 33.7 | Very low | 70 Ų | 70 | 93.7 Ų | 93.7 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.6 | 0.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L43 Q47 | L43-G45 PolarHBondContact O-N 3.16Å; G45-Q47 PolarHBondContact O-N 3.46Å |
| 46 | A | 36.3 | Very low | 33.8 | Very low | 72 Ų | 72 | 95.9 Ų | 95.9 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | trans | -73.7 | 54.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L43 | L43-A46 HydrophobicContact CB-CB 4.41Å; L43-A46 WeakPolarHBondContact O-CB 3.16Å; L43-A46 PolarHBondContact O-N 3.09Å | ||
| 47 | Q | 31.6 | Very low | 33.9 | Very low | 179 Ų | 179 | 100.4 Ų | 100.4 | 84% | 0.836 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -93.4 | 107.1 | 159.5 | -76.8 | -173.5 | -54.7 | 0 | 0 | 107.1 | G45 S49 | G45-Q47 PolarHBondContact O-N 3.46Å; Q47-S49 PolarHBondContact O-N 3.14Å |
| 48 | D | 32.8 | Very low | 33.8 | Very low | 132 Ų | 132 | 100.8 Ų | 100.8 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | trans | 41.9 | 65.1 | 155 | -83.1 | -48.6 | 0 | 0 | 0 | 117.2 | K50 | D48-K50 VanDerWaalsContact C-N 3.27Å; D48-K50 PolarHBondContact O-N 3.29Å | ||
| 49 | S | 28.7 | Very low | 33.3 | Very low | 109 Ų | 109 | 108.2 Ų | 108.2 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -78.8 | 84.5 | 155.5 | 47 | 0 | 0 | 0 | 0 | 109.5 | Q47 G51 | Q47-S49 PolarHBondContact O-N 3.14Å; S49-G51 PolarHBondContact O-N 3.25Å; S49-G51 VanDerWaalsContact O-N 3.13Å | ||
| 50 | K | 28.7 | Very low | 33 | Very low | 204 Ų | 204 | 104.7 Ų | 104.7 | 89% | 0.887 | 62% | 0.618 | S | S | * | * | trans | -59.7 | 110 | 157 | -85.4 | -174 | 177.7 | 176.8 | 0 | 108.4 | D48 | D48-K50 VanDerWaalsContact C-N 3.27Å; D48-K50 PolarHBondContact O-N 3.29Å | ||
| 51 | G | 29.4 | Very low | 32.8 | Very low | 59 Ų | 59 | 106.9 Ų | 106.9 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | trans | 94.8 | 134.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S49 | S49-G51 PolarHBondContact O-N 3.25Å; S49-G51 VanDerWaalsContact O-N 3.13Å | ||
| 52 | K | 29.2 | Very low | 32.6 | Very low | 186 Ų | 186 | 108.4 Ų | 108.4 | 81% | 0.809 | 64% | 0.639 | S | S | * | * | cis | -153.4 | 155.4 | 24.1 | -87.2 | 169.7 | 168.8 | 177.5 | 0 | 107.8 | ||||
| 53 | D | 30.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 108 Ų | 108 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 66.4 | 118.7 | 164.4 | -60.1 | -47.6 | 0 | 0 | 0 | 116.7 | ||
| 54 | S | 30 | Very low | 32.9 | Very low | 117 Ų | 117 | 104.5 Ų | 104.5 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 80.2 | 43.2 | 174.3 | 74.5 | 0 | 0 | 0 | 0 | 119.2 | L56 | S54-L56 PolarHBondContact O-N 2.99Š|
| 55 | G | 29.1 | Very low | 33.1 | Very low | 77 Ų | 77 | 101.5 Ų | 101.5 | 79% | 0.794 | 61% | 0.608 | S | S | * | * | 75.1 | -14.2 | 124.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 56 | L | 34.7 | Very low | 33.4 | Very low | 98 Ų | 98 | 105.2 Ų | 105.2 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | trans | -170.9 | 145.1 | 173.8 | -84.5 | 124.9 | 0 | 0 | 0 | 106.8 | H20 S54 | H20-L56 HydrophobicContact CB-CD2 4.31Å; S54-L56 PolarHBondContact O-N 2.99Å | ||
| 57 | P | 41.7 | Very low | 33.5 | Very low | 114 Ų | 114 | 105.8 Ų | 105.8 | 74% | 0.74 | 60% | 0.597 | S | S | * | * | S | Bend | cis | -139.2 | 142.8 | 19.3 | 38.1 | -17 | 0 | 0 | 0 | 116 | ||
| 58 | S | 34.6 | Very low | 33.8 | Very low | 67 Ų | 67 | 99.1 Ų | 99.1 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -164.3 | -26.7 | 159.8 | 64.4 | 0 | 0 | 0 | 0 | 111 | T61 | S58-T61 PolarHBondContact O-N 3.43Š|
| 59 | R | 33 | Very low | 33.8 | Very low | 186 Ų | 186 | 96 Ų | 96 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74 | -23.1 | 177 | -76.8 | -178.2 | 162.2 | -176 | -4.9 | 115.5 | T61 L62 A63 | R59-T61 VanDerWaalsContact C-N 3.29Å; R59-T61 PolarHBondContact O-N 3.5Å; R59-L62 PolarHBondContact O-N 2.85Å; R59-A63 PolarHBondContact O-N 3.29Å |
| 60 | C | 33.6 | Very low | 34.2 | Very low | 15 Ų | 15 | 95.7 Ų | 95.7 | 10% | 0.101 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -66.1 | -34.7 | 174.4 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | L38 L62 A63 L64 | L38-C60 HydrophobicContact CD2-CB 3.97Å; C60-L62 PolarHBondContact O-N 2.65Å; C60-A63 PolarHBondContact O-N 3.47Å; C60-L64 WeakPolarHBondContact O-CB 3.4Å; C60-L64 PolarHBondContact O-N 3.03Å; C60-L64 VanDerWaalsContact O-N 3.09Å |
| 61 | T | 38.6 | Very low | 34.4 | Very low | 64 Ų | 64 | 88.4 Ų | 88.4 | 39% | 0.393 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.4 | -47.7 | 0 | 0 | 0 | 0 | 111.8 | S58 R59 A65 | S58-T61 PolarHBondContact O-N 3.43Å; R59-T61 VanDerWaalsContact C-N 3.29Å; R59-T61 PolarHBondContact O-N 3.5Å; T61-A65 WeakPolarHBondContact O-CB 3.19Å; T61-A65 PolarHBondContact O-N 3.5Å |
| 62 | L | 33.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 90.6 Ų | 90.6 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.4 | -41.8 | 179.5 | -110.9 | 108.1 | 0 | 0 | 0 | 112.8 | R59 C60 L64 A65 E66 | R59-L62 PolarHBondContact O-N 2.85Å; C60-L62 PolarHBondContact O-N 2.65Å; L62-L64 PolarHBondContact O-N 3.32Å; L62-A65 PolarHBondContact O-N 3.23Å; L62-E66 WeakPolarHBondContact O-CB 3.43Å; L62-E66 PolarHBondContact O-N 3.09Å |
| 63 | A | 36.4 | Very low | 35.2 | Very low | 35 Ų | 35 | 84 Ų | 84 | 29% | 0.289 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -36 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R59 C60 E67 | R59-A63 PolarHBondContact O-N 3.29Å; C60-A63 PolarHBondContact O-N 3.47Å; A63-E67 PolarHBondContact O-N 3.19Å |
| 64 | L | 38.6 | Very low | 35.7 | Very low | 23 Ų | 23 | 81.2 Ų | 81.2 | 12% | 0.12 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -73 | -35.1 | 172.4 | -84 | 157.6 | 0 | 0 | 0 | 112.2 | L38 C60 L62 A68 I89 | L38-L64 HydrophobicContact CD1-CD1 4.04Å; L38-L64 HydrophobicContact CD2-CD1 3.86Å; L38-L64 HydrophobicContact CG-CD1 4.35Å; C60-L64 WeakPolarHBondContact O-CB 3.4Å; C60-L64 PolarHBondContact O-N 3.03Å; C60-L64 VanDerWaalsContact O-N 3.09Å; L62-L64 PolarHBondContact O-N 3.32Å; L64-A68 WeakPolarHBondContact O-CA 2.96Å; L64-A68 WeakPolarHBondContact O-CB 3.03Å; L64-A68 PolarHBondContact O-N 2.91Å; L64-I89 HydrophobicContact CB-CD1 4.12Å; L64-I89 HydrophobicContact CD1-CD1 4.26Å |
| 65 | A | 35.1 | Very low | 36.3 | Very low | 63 Ų | 63 | 82.2 Ų | 82.2 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T61 L62 A68 G69 | T61-A65 WeakPolarHBondContact O-CB 3.19Å; T61-A65 PolarHBondContact O-N 3.5Å; L62-A65 PolarHBondContact O-N 3.23Å; A65-A68 PolarHBondContact O-N 3.13Å; A65-G69 PolarHBondContact O-N 2.84Å |
| 66 | E | 35.7 | Very low | 37.2 | Very low | 148 Ų | 148 | 84.6 Ų | 84.6 | 69% | 0.692 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.7 | -41.2 | 174.1 | -82 | -174.7 | 142.2 | 0 | 0 | 112 | L62 A68 G69 | L62-E66 WeakPolarHBondContact O-CB 3.43Å; L62-E66 PolarHBondContact O-N 3.09Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-G69 PolarHBondContact O-N 2.88Å |
| 67 | E | 38.1 | Very low | 37.5 | Very low | 84 Ų | 84 | 82.6 Ų | 82.6 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.2 | -24.5 | 169.7 | -93.8 | -147.5 | 172.3 | 0 | 0 | 113 | S11 A13 A63 G69 T70 | S11-E67 PolarHBondContact OG-OE1 3.14Å; A13-E67 HydrophobicContact CB-CG 4.06Å; A63-E67 PolarHBondContact O-N 3.19Å; E67-G69 PolarHBondContact O-N 2.68Å; E67-T70 WeakPolarHBondContact CA-OG1 3.42Å; E67-T70 CarbonylContact O-C 3.2Å; E67-T70 WeakPolarHBondContact O-CA 3.4Å; E67-T70 PolarHBondContact O-N 3.31Å; E67-T70 VanDerWaalsContact O-O 3.12Å; E67-T70 PolarHBondContact O-OG1 2.88Å |
| 68 | A | 38.1 | Very low | 37.6 | Very low | 39 Ų | 39 | 80.7 Ų | 80.7 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L64 A65 E66 T70 Y74 | L64-A68 WeakPolarHBondContact O-CA 2.96Å; L64-A68 WeakPolarHBondContact O-CB 3.03Å; L64-A68 PolarHBondContact O-N 2.91Å; A65-A68 PolarHBondContact O-N 3.13Å; E66-A68 VanDerWaalsContact C-N 3.31Å; A68-T70 VanDerWaalsContact C-N 3.32Å; A68-Y74 WeakPolarHBondContact CA-OH 3.31Å; A68-Y74 HydrophobicContact CB-CE1 4.25Å; A68-Y74 HydrophobicContact CB-CE2 3.86Å; A68-Y74 PolarHBondContact O-OH 3.2Å |
| 69 | G | 33.6 | Very low | 37.7 | Very low | 67 Ų | 67 | 82 Ų | 82 | 69% | 0.691 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -8.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A65 E66 E67 | A65-G69 PolarHBondContact O-N 2.84Å; E66-G69 PolarHBondContact O-N 2.88Å; E67-G69 PolarHBondContact O-N 2.68Å |
| 70 | T | 35.6 | Very low | 37.8 | Very low | 103 Ų | 103 | 81.3 Ų | 81.3 | 63% | 0.632 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -138.3 | 76.6 | -172.7 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | E67 A68 | E67-T70 WeakPolarHBondContact CA-OG1 3.42Å; E67-T70 CarbonylContact O-C 3.2Å; E67-T70 WeakPolarHBondContact O-CA 3.4Å; E67-T70 PolarHBondContact O-N 3.31Å; E67-T70 VanDerWaalsContact O-O 3.12Å; E67-T70 PolarHBondContact O-OG1 2.88Å; A68-T70 VanDerWaalsContact C-N 3.32Å |
| 71 | G | 33.7 | Very low | 38 | Very low | 51 Ų | 51 | 85.4 Ų | 85.4 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | trans | 134 | 107 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y74 | G71-Y74 WeakPolarHBondContact O-CE1 3.02Š| ||
| 72 | A | 34.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 86.3 Ų | 86.3 | 86% | 0.86 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -47.5 | 140.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 73 | G | 39.6 | Very low | 38.1 | Very low | 49 Ų | 49 | 90.9 Ų | 90.9 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | trans | 133.9 | 0.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 74 | Y | 42.2 | Very low | 38 | Very low | 88 Ų | 88 | 91.1 Ų | 91.1 | 35% | 0.345 | 53% | 0.531 | S | S | . | . | trans | -83.7 | 137.1 | 178 | 27.7 | -92.5 | 0 | 0 | 0 | 112.8 | A68 G71 V90 | A68-Y74 WeakPolarHBondContact CA-OH 3.31Å; A68-Y74 HydrophobicContact CB-CE1 4.25Å; A68-Y74 HydrophobicContact CB-CE2 3.86Å; A68-Y74 PolarHBondContact O-OH 3.2Å; G71-Y74 WeakPolarHBondContact O-CE1 3.02Å; Y74-V90 WeakPolarHBondContact CA-O 3.5Å | ||
| 75 | Q | 41.2 | Very low | 37.9 | Very low | 139 Ų | 139 | 93.7 Ų | 93.7 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 121.4 | 166 | -81.7 | -174.5 | -9.1 | 0 | 0 | 109.5 | V90 | Q75-V90 PolarHBondContact N-O 3.45Å; Q75-V90 PolarHBondContact O-N 2.94Å; Q75-V90 VanDerWaalsContact O-N 3.15Å |
| 76 | K | 48.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 93.6 Ų | 93.6 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.1 | 167.9 | -179 | 178.8 | 175.3 | 172.4 | 0 | 108.1 | Q87 L88 | K76-Q87 VanDerWaalsContact CE-NE2 3.27Å; K76-L88 WeakPolarHBondContact CA-O 3.46Å |
| 77 | I | 42.1 | Very low | 38.4 | Very low | 57 Ų | 57 | 88.4 Ų | 88.4 | 29% | 0.292 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.5 | 175.2 | -50.9 | 179.6 | 0 | 0 | 0 | 107.9 | M79 L88 V90 | I77-M79 HydrophobicContact CG2-CG 4.2Å; I77-L88 HydrophobicContact CB-CB 4.15Å; I77-L88 HydrophobicContact CD1-CD2 4.23Å; I77-L88 PolarHBondContact N-O 3.15Å; I77-L88 PolarHBondContact O-N 3.37Å; I77-V90 HydrophobicContact CD1-CG2 4.04Å |
| 78 | T | 43.2 | Very low | 38.7 | Very low | 73 Ų | 73 | 84.9 Ų | 84.9 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.8 | 171.8 | -59.7 | 0 | 0 | 0 | 0 | 108.6 | E85 R86 | T78-E85 HydrophobicContact CG2-CG 3.59Å; T78-R86 CarbonylContact C-O 3.59Å; T78-R86 WeakPolarHBondContact CA-O 3.37Å |
| 79 | M | 37.1 | Very low | 39.2 | Very low | 96 Ų | 96 | 84.7 Ų | 84.7 | 47% | 0.473 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.1 | 172.1 | -65.3 | -179.4 | 63.7 | 0 | 0 | 108.6 | I77 R86 | I77-M79 HydrophobicContact CG2-CG 4.2Å; M79-R86 HydrophobicContact CB-CB 4.33Å; M79-R86 PolarHBondContact N-O 2.99Å; M79-R86 PolarHBondContact O-N 3.07Å |
| 80 | Q | 35.9 | Very low | 39.6 | Very low | 171 Ų | 171 | 82.3 Ų | 82.3 | 80% | 0.799 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.2 | 169.6 | -79.1 | -173.8 | -9.6 | 0 | 0 | 108.4 | ||
| 81 | D | 37.4 | Very low | 40 | Very low | 101 Ų | 101 | 80 Ų | 80 | 54% | 0.54 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.6 | 170.6 | -169.2 | 15.4 | 0 | 0 | 0 | 109.1 | K83 I84 R86 | D81-K83 VanDerWaalsContact C-N 3.28Å; D81-K83 PolarHBondContact O-N 2.05Å; D81-K83 VanDerWaalsContact O-N 3.07Å; D81-I84 PolarHBondContact N-O 3.37Å; D81-I84 PolarHBondContact O-N 3.46Å; D81-R86 IonicContact OD2-NH1 3.64Å |
| 82 | A | 34.8 | Very low | 40.2 | Very low | 82 Ų | 82 | 81.8 Ų | 81.8 | 68% | 0.678 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.1 | 40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | I84 | A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 PolarHBondContact O-N 2.85Å |
| 83 | K | 39.5 | Very low | 40.3 | Very low | 209 Ų | 209 | 81.3 Ų | 81.3 | 91% | 0.909 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 11.4 | -178.8 | -51.3 | -177.4 | 177.8 | -177.3 | 0 | 116.3 | D81 | D81-K83 VanDerWaalsContact C-N 3.28Å; D81-K83 PolarHBondContact O-N 2.05Å; D81-K83 VanDerWaalsContact O-N 3.07Å |
| 84 | I | 33.2 | Very low | 40.3 | Very low | 41 Ų | 41 | 79.9 Ų | 79.9 | 21% | 0.21 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.1 | 175.1 | -55.8 | 177.5 | 0 | 0 | 0 | 107.5 | D41 L43 D81 A82 R86 | D41-I84 HydrophobicContact CB-CG2 4.31Å; L43-I84 HydrophobicContact CD2-CD1 4.13Å; L43-I84 HydrophobicContact CD2-CG1 3.93Å; L43-I84 HydrophobicContact CD2-CG2 4.15Å; L43-I84 HydrophobicContact CG-CG2 4.46Å; D81-I84 PolarHBondContact N-O 3.37Å; D81-I84 PolarHBondContact O-N 3.46Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 PolarHBondContact O-N 2.85Å; I84-R86 HydrophobicContact CG2-CG 4.23Å; I84-R86 PolarHBondContact O-N 3.37Å |
| 85 | E | 37.1 | Very low | 39.9 | Very low | 77 Ų | 77 | 83.3 Ų | 83.3 | 36% | 0.36 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 121.9 | 169.7 | -170.6 | -177.4 | 141.6 | 0 | 0 | 107.8 | T42 T78 Q87 | T42-E85 WeakPolarHBondContact CA-O 3.44Å; T42-E85 PolarHBondContact N-O 3.46Å; T42-E85 PolarHBondContact OG1-O 2.77Å; T78-E85 HydrophobicContact CG2-CG 3.59Å; E85-Q87 PolarHBondContact OE1-NE2 3.05Å |
| 86 | R | 38.2 | Very low | 39.5 | Very low | 61 Ų | 61 | 82.2 Ų | 82.2 | 23% | 0.23 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 175.2 | -68.6 | 179.2 | 178.5 | 120.2 | 3.8 | 109.9 | V39 I40 D41 T78 M79 D81 I84 | V39-R86 HydrophobicContact CG1-CB 4.25Å; V39-R86 HydrophobicContact CG1-CG 4.18Å; I40-R86 CarbonylContact O-C 3.59Å; I40-R86 VanDerWaalsContact O-CA 3.27Å; I40-R86 WeakPolarHBondContact O-CA 3.46Å; D41-R86 WeakPolarHBondContact OD1-CD 3.5Å; D41-R86 VanDerWaalsContact OD1-CG 3.3Å; D41-R86 WeakPolarHBondContact OD1-CG 3.18Å; D41-R86 IonicContact OD1-CZ 3.66Å; D41-R86 IonicContact OD1-NE 3.86Å; D41-R86 PolarHBondContact OD1-NE 3.48Å; D41-R86 IonicContact OD1-NH2 2.75Å; T78-R86 CarbonylContact C-O 3.59Å; T78-R86 WeakPolarHBondContact CA-O 3.37Å; M79-R86 HydrophobicContact CB-CB 4.33Å; M79-R86 PolarHBondContact N-O 2.99Å; M79-R86 PolarHBondContact O-N 3.07Å; D81-R86 IonicContact OD2-NH1 3.64Å; I84-R86 HydrophobicContact CG2-CG 4.23Å; I84-R86 PolarHBondContact O-N 3.37Å |
| 87 | Q | 42 | Very low | 38.9 | Very low | 39 Ų | 39 | 79.7 Ų | 79.7 | 18% | 0.182 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.2 | 176 | -64.6 | -177.2 | 3.4 | 0 | 0 | 109 | I40 K76 E85 | I40-Q87 HydrophobicContact CB-CB 4.45Å; I40-Q87 WeakPolarHBondContact CB-O 3.4Å; I40-Q87 PolarHBondContact N-O 3.48Å; I40-Q87 PolarHBondContact O-N 2.95Å; K76-Q87 VanDerWaalsContact CE-NE2 3.27Å; E85-Q87 PolarHBondContact OE1-NE2 3.05Å |
| 88 | L | 44.6 | Very low | 38.4 | Very low | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.052 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.5 | 173.2 | -164.2 | 82.8 | 0 | 0 | 0 | 108.8 | C37 L38 V39 K76 I77 V90 F97 | C37-L88 HydrophobicContact CB-CD1 4.05Å; L38-L88 WeakPolarHBondContact O-CA 3.36Å; V39-L88 HydrophobicContact CG2-CD1 3.78Å; K76-L88 WeakPolarHBondContact CA-O 3.46Å; I77-L88 HydrophobicContact CB-CB 4.15Å; I77-L88 HydrophobicContact CD1-CD2 4.23Å; I77-L88 PolarHBondContact N-O 3.15Å; I77-L88 PolarHBondContact O-N 3.37Å; L88-V90 HydrophobicContact CD2-CG2 3.61Å; L88-V90 HydrophobicContact CG-CG2 4.16Å; L88-F97 HydrophobicContact CD2-CD2 4.34Å; L88-F97 HydrophobicContact CD2-CE1 4.23Å; L88-F97 HydrophobicContact CD2-CE2 3.53Å; L88-F97 HydrophobicContact CD2-CZ 3.46Å; L88-F97 VanDerWaalsContact CD2-CZ 3.46Å |
| 89 | I | 48.7 | Very low | 37.9 | Very low | 34 Ų | 34 | 85.7 Ų | 85.7 | 17% | 0.174 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 113 | 171.1 | -59.7 | 175.8 | 0 | 0 | 0 | 107.5 | I40 L64 | I40-I89 HydrophobicContact CD1-CD1 4.01Å; L64-I89 HydrophobicContact CB-CD1 4.12Å; L64-I89 HydrophobicContact CD1-CD1 4.26Å |
| 90 | V | 43 | Very low | 37.6 | Very low | 18 Ų | 18 | 93.4 Ų | 93.4 | 11% | 0.109 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.8 | 176.6 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | Y74 Q75 I77 L88 C94 | Y74-V90 WeakPolarHBondContact CA-O 3.5Å; Q75-V90 PolarHBondContact N-O 3.45Å; Q75-V90 PolarHBondContact O-N 2.94Å; Q75-V90 VanDerWaalsContact O-N 3.15Å; I77-V90 HydrophobicContact CD1-CG2 4.04Å; L88-V90 HydrophobicContact CD2-CG2 3.61Å; L88-V90 HydrophobicContact CG-CG2 4.16Å; V90-C94 HydrophobicContact CG1-CB 3.97Å |
| 91 | L | 42.7 | Very low | 37.1 | Very low | 54 Ų | 54 | 97.9 Ų | 97.9 | 28% | 0.283 | 50% | 0.502 | S | S | . | . | trans | -79.9 | 143.8 | 176.5 | -65 | 177.1 | 0 | 0 | 0 | 110.7 | L36 S93 C94 | L36-L91 HydrophobicContact CB-CD1 4.23Å; L36-L91 HydrophobicContact CD2-CD1 4.22Å; L91-S93 PolarHBondContact O-N 3.27Å; L91-C94 WeakPolarHBondContact O-CB 3.35Å; L91-C94 PolarHBondContact O-N 2.99Å | ||
| 92 | P | 38.9 | Very low | 37.1 | Very low | 89 Ų | 89 | 97.7 Ų | 97.7 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8 | -172 | 22 | -31.8 | 0 | 0 | 0 | 115.3 | C94 | P92-C94 PolarHBondContact O-N 3.27Š|
| 93 | S | 37.3 | Very low | 37.3 | Very low | 93 Ų | 93 | 98.5 Ų | 98.5 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 4.3 | 171.4 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | L91 D95 | L91-S93 PolarHBondContact O-N 3.27Å; S93-D95 PolarHBondContact O-N 2.81Å |
| 94 | C | 38 | Very low | 37.1 | Very low | 20 Ų | 20 | 92.4 Ų | 92.4 | 14% | 0.135 | 47% | 0.467 | C | S | . | . | trans | -92.4 | 88.1 | 177.8 | -88.1 | 0 | 0 | 0 | 0 | 112.1 | C35 V90 L91 P92 T96 | C35-C94 WeakPolarHBondContact CA-SG 3.45Å; C35-C94 HydrophobicContact CB-CB 4.48Å; C35-C94 WeakPolarHBondContact CB-SG 3.41Å; C35-C94 WeakPolarHBondContact SG-CA 3.24Å; C35-C94 WeakPolarHBondContact SG-CB 3.2Å; C35-C94 CovalentContact SG-SG 2.05Å; C35-C94 PolarHBondContact SG-SG 3.47Å; V90-C94 HydrophobicContact CG1-CB 3.97Å; L91-C94 WeakPolarHBondContact O-CB 3.35Å; L91-C94 PolarHBondContact O-N 2.99Å; P92-C94 PolarHBondContact O-N 3.27Å; C94-T96 PolarHBondContact O-N 3.22Å | ||
| 95 | D | 34.6 | Very low | 37.4 | Very low | 159 Ų | 159 | 95.4 Ų | 95.4 | 85% | 0.85 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -70.9 | -10.8 | 174 | -73.2 | -35.7 | 0 | 0 | 0 | 113.3 | S93 | S93-D95 PolarHBondContact O-N 2.81Š|
| 96 | T | 33.8 | Very low | 37.4 | Very low | 116 Ų | 116 | 96.6 Ų | 96.6 | 71% | 0.712 | 49% | 0.49 | S | S | * | . | trans | -144 | 85.1 | -179.7 | 35.4 | 0 | 0 | 0 | 0 | 111.4 | C94 | C94-T96 PolarHBondContact O-N 3.22Š| ||
| 97 | F | 35.6 | Very low | 37.3 | Very low | 74 Ų | 74 | 98.9 Ų | 98.9 | 33% | 0.325 | 51% | 0.508 | S | S | . | . | trans | -87.9 | 113.6 | 158.1 | -178.7 | -104.4 | 0 | 0 | 0 | 108.4 | C37 L88 P99 | C37-F97 WeakPolarHBondContact SG-CD2 3.15Å; C37-F97 WeakPolarHBondContact SG-CE2 3.03Å; L88-F97 HydrophobicContact CD2-CD2 4.34Å; L88-F97 HydrophobicContact CD2-CE1 4.23Å; L88-F97 HydrophobicContact CD2-CE2 3.53Å; L88-F97 HydrophobicContact CD2-CZ 3.46Å; L88-F97 VanDerWaalsContact CD2-CZ 3.46Å; F97-P99 HydrophobicContact CE1-CB 3.98Å; F97-P99 HydrophobicContact CZ-CB 4.47Å | ||
| 98 | Q | 30.5 | Very low | 37 | Very low | 169 Ų | 169 | 103.2 Ų | 103.2 | 79% | 0.79 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -100.5 | 120.8 | 161.9 | -71.5 | -153.5 | -46.2 | 0 | 0 | 108.3 | W100 | Q98-W100 PolarHBondContact O-N 2.64Š|
| 99 | P | 32.8 | Very low | 36.4 | Very low | 86 Ų | 86 | 110.4 Ų | 110.4 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 137.7 | 173.7 | 24.1 | -30.6 | 0 | 0 | 0 | 109.2 | F97 Q101 | F97-P99 HydrophobicContact CE1-CB 3.98Å; F97-P99 HydrophobicContact CZ-CB 4.47Å; P99-Q101 PolarHBondContact O-N 3.41Å; P99-Q101 VanDerWaalsContact O-N 3.16Å |
| 100 | W | 31.6 | Very low | 35.4 | Very low | 259 Ų | 259 | 116.8 Ų | 116.8 | 98% | 0.981 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.6 | 166.1 | -93.6 | 23.4 | 0 | 0 | 0 | 108 | Q98 | Q98-W100 PolarHBondContact O-N 2.64Š|
| 101 | Q | 25.7 | Very low | 34.7 | Very low | 264 Ų | 264 | 125.7 Ų | 125.7 | 100% | 1.234 | 65% | 0.645 | S | S | * | * | trans | -82 | 0 | 166.2 | -69.6 | -159.7 | -43.6 | 0 | 0 | 110.1 | P99 | P99-Q101 PolarHBondContact O-N 3.41Å; P99-Q101 VanDerWaalsContact O-N 3.16Å |
Retrieved 101 of 101 residues in 378 ms
(Link to these results)