| 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 | 59.6 | Low | 66.8 | Low | 206 Ų | 206 | 123.2 Ų | 123.2 | 100% | 1.015 | 61% | 0.611 | S | S | * | * | 0 | -37.5 | 0 | -63.6 | 177.4 | 86.9 | 0 | 0 | 114.2 | |||||
| 2 | K | 58.8 | Low | 66.5 | Low | 172 Ų | 172 | 122.9 Ų | 122.9 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.2 | -41.6 | 179.5 | -82.3 | 167.9 | 172.7 | 162.9 | 0 | 114.1 | F4 K5 F6 | K2-F4 PolarHBondContact O-N 3.16Å; K2-K5 PolarHBondContact O-N 2.88Å; K2-F6 WeakPolarHBondContact O-CD2 3.17Å; K2-F6 PolarHBondContact O-N 3.24Å |
| 3 | V | 61.6 | Low | 66.3 | Low | 100 Ų | 100 | 120 Ų | 120 | 61% | 0.606 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.6 | -38.5 | -176.1 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | K5 F6 I7 | V3-K5 PolarHBondContact O-N 2.81Å; V3-F6 PolarHBondContact O-N 3.17Å; V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 WeakPolarHBondContact O-CG1 3.39Å; V3-I7 PolarHBondContact O-N 2.79Å |
| 4 | F | 63.1 | Low | 66 | Low | 163 Ų | 163 | 117.9 Ų | 117.9 | 72% | 0.715 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.4 | -31.3 | 177.3 | -63.9 | -74.4 | 0 | 0 | 0 | 113.4 | K2 G8 | K2-F4 PolarHBondContact O-N 3.16Å; F4-G8 PolarHBondContact O-N 3.24Å |
| 5 | K | 66.5 | Low | 65.6 | Low | 161 Ų | 161 | 114.8 Ų | 114.8 | 70% | 0.7 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67 | -41.2 | 172.4 | -87.4 | -169.8 | 73.3 | 145.4 | 0 | 111.6 | K2 V3 G8 V9 | K2-K5 PolarHBondContact O-N 2.88Å; V3-K5 PolarHBondContact O-N 2.81Å; K5-G8 PolarHBondContact O-N 3.43Å; K5-V9 WeakPolarHBondContact O-CB 2.93Å; K5-V9 VanDerWaalsContact O-CG2 3.23Å; K5-V9 WeakPolarHBondContact O-CG2 3.04Å; K5-V9 PolarHBondContact O-N 2.99Å |
| 6 | F | 66.2 | Low | 65.2 | Low | 145 Ų | 145 | 112.4 Ų | 112.4 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.1 | -40.7 | 178.1 | -73.9 | -73.2 | 0 | 0 | 0 | 111.7 | K2 V3 V9 M10 | K2-F6 WeakPolarHBondContact O-CD2 3.17Å; K2-F6 PolarHBondContact O-N 3.24Å; V3-F6 PolarHBondContact O-N 3.17Å; F6-V9 PolarHBondContact O-N 2.74Å; F6-M10 WeakPolarHBondContact O-CB 3.49Å; F6-M10 VanDerWaalsContact O-CG 3.22Å; F6-M10 WeakPolarHBondContact O-CG 3.28Å; F6-M10 PolarHBondContact O-N 2.84Å |
| 7 | I | 72.9 | Confident | 64.7 | Low | 84 Ų | 84 | 115.9 Ų | 115.9 | 43% | 0.431 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.7 | -46.4 | 175.5 | -66 | 162.1 | 0 | 0 | 0 | 110.7 | V3 V9 M10 I11 | V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 WeakPolarHBondContact O-CG1 3.39Å; V3-I7 PolarHBondContact O-N 2.79Å; I7-V9 PolarHBondContact O-N 2.92Å; I7-M10 PolarHBondContact O-N 2.68Å; I7-I11 HydrophobicContact CG2-CD1 3.73Å; I7-I11 HydrophobicContact CG2-CG1 4.47Å; I7-I11 VanDerWaalsContact O-CG1 3.27Å; I7-I11 WeakPolarHBondContact O-CG1 3.15Å; I7-I11 PolarHBondContact O-N 2.96Å |
| 8 | G | 71.4 | Confident | 64 | Low | 31 Ų | 31 | 114.8 Ų | 114.8 | 32% | 0.32 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.9 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F4 K5 I11 L12 | F4-G8 PolarHBondContact O-N 3.24Å; K5-G8 PolarHBondContact O-N 3.43Å; G8-I11 PolarHBondContact O-N 2.96Å; G8-L12 WeakPolarHBondContact O-CG 3.41Å; G8-L12 PolarHBondContact O-N 2.99Å |
| 9 | V | 74.6 | Confident | 63.3 | Low | 74 Ų | 74 | 113.4 Ų | 113.4 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67 | -40.1 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | K5 F6 I7 L12 L13 | K5-V9 WeakPolarHBondContact O-CB 2.93Å; K5-V9 VanDerWaalsContact O-CG2 3.23Å; K5-V9 WeakPolarHBondContact O-CG2 3.04Å; K5-V9 PolarHBondContact O-N 2.99Å; F6-V9 PolarHBondContact O-N 2.74Å; I7-V9 PolarHBondContact O-N 2.92Å; V9-L12 PolarHBondContact O-N 3.16Å; V9-L13 HydrophobicContact CG1-CD1 3.84Å; V9-L13 HydrophobicContact CG1-CG 4.39Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.01Å |
| 10 | M | 70.4 | Confident | 62.5 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.5 | -36.2 | 176.4 | -70.7 | -60.6 | -64 | 0 | 0 | 112.6 | F6 I7 L13 T14 | F6-M10 WeakPolarHBondContact O-CB 3.49Å; F6-M10 VanDerWaalsContact O-CG 3.22Å; F6-M10 WeakPolarHBondContact O-CG 3.28Å; F6-M10 PolarHBondContact O-N 2.84Å; I7-M10 PolarHBondContact O-N 2.68Å; M10-L13 HydrophobicContact SD-CD1 4.25Å; M10-T14 WeakPolarHBondContact O-CG2 3.45Å; M10-T14 PolarHBondContact O-N 3.15Å; M10-T14 PolarHBondContact O-OG1 3.27Å |
| 11 | I | 70 | Confident | 62 | Low | 104 Ų | 104 | 114.3 Ų | 114.3 | 53% | 0.533 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68 | -42.1 | 175 | -66.5 | 165.5 | 0 | 0 | 0 | 110.7 | I7 G8 T14 S15 | I7-I11 HydrophobicContact CG2-CD1 3.73Å; I7-I11 HydrophobicContact CG2-CG1 4.47Å; I7-I11 VanDerWaalsContact O-CG1 3.27Å; I7-I11 WeakPolarHBondContact O-CG1 3.15Å; I7-I11 PolarHBondContact O-N 2.96Å; G8-I11 PolarHBondContact O-N 2.96Å; I11-T14 WeakPolarHBondContact CA-OG1 3.38Å; I11-T14 PolarHBondContact O-N 2.95Å; I11-T14 PolarHBondContact O-OG1 3.31Å; I11-S15 WeakPolarHBondContact O-CB 3.3Å; I11-S15 PolarHBondContact O-N 3.21Å; I11-S15 PolarHBondContact O-OG 3.29Å |
| 12 | L | 63.3 | Low | 61.8 | Low | 120 Ų | 120 | 107.6 Ų | 107.6 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.5 | -43.5 | 175.4 | -72.8 | 169.3 | 0 | 0 | 0 | 111.8 | G8 V9 S15 A16 | G8-L12 WeakPolarHBondContact O-CG 3.41Å; G8-L12 PolarHBondContact O-N 2.99Å; V9-L12 PolarHBondContact O-N 3.16Å; L12-S15 PolarHBondContact O-N 3.31Å; L12-S15 PolarHBondContact O-OG 2.01Å; L12-A16 PolarHBondContact O-N 3.37Å; L12-A16 VanDerWaalsContact O-N 3.08Å |
| 13 | L | 63 | Low | 62.1 | Low | 85 Ų | 85 | 108.3 Ų | 108.3 | 45% | 0.445 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.3 | -47.9 | 176 | -74.2 | 165.5 | 0 | 0 | 0 | 111.3 | V9 M10 S15 A16 F17 | V9-L13 HydrophobicContact CG1-CD1 3.84Å; V9-L13 HydrophobicContact CG1-CG 4.39Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.01Å; M10-L13 HydrophobicContact SD-CD1 4.25Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.07Å; L13-A16 PolarHBondContact O-N 3.3Å; L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CE2 3.2Å |
| 14 | T | 62.6 | Low | 62.6 | Low | 90 Ų | 90 | 107.1 Ų | 107.1 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.6 | -33.2 | 179.2 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | M10 I11 | M10-T14 WeakPolarHBondContact O-CG2 3.45Å; M10-T14 PolarHBondContact O-N 3.15Å; M10-T14 PolarHBondContact O-OG1 3.27Å; I11-T14 WeakPolarHBondContact CA-OG1 3.38Å; I11-T14 PolarHBondContact O-N 2.95Å; I11-T14 PolarHBondContact O-OG1 3.31Å |
| 15 | S | 59.7 | Low | 63.7 | Low | 72 Ų | 72 | 102.3 Ų | 102.3 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.6 | -31.3 | 175 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | I11 L12 L13 F17 S18 | I11-S15 WeakPolarHBondContact O-CB 3.3Å; I11-S15 PolarHBondContact O-N 3.21Å; I11-S15 PolarHBondContact O-OG 3.29Å; L12-S15 PolarHBondContact O-N 3.31Å; L12-S15 PolarHBondContact O-OG 2.01Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.07Å; S15-F17 VanDerWaalsContact C-N 3.26Å; S15-F17 PolarHBondContact O-N 3.5Å; S15-S18 PolarHBondContact O-N 2.73Å |
| 16 | A | 59.9 | Low | 64.9 | Low | 77 Ų | 77 | 97.2 Ų | 97.2 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.5 | -19.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | L12 L13 | L12-A16 PolarHBondContact O-N 3.37Å; L12-A16 VanDerWaalsContact O-N 3.08Å; L13-A16 PolarHBondContact O-N 3.3Å |
| 17 | F | 57.2 | Low | 66.3 | Low | 171 Ų | 171 | 93.9 Ų | 93.9 | 75% | 0.75 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -5 | 177.7 | -65 | -67.7 | 0 | 0 | 0 | 114 | L13 S15 | L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CE2 3.2Å; S15-F17 VanDerWaalsContact C-N 3.26Å; S15-F17 PolarHBondContact O-N 3.5Å |
| 18 | S | 52 | Low | 67.4 | Low | 96 Ų | 96 | 91.5 Ų | 91.5 | 67% | 0.671 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -91.2 | 4 | -173 | -168.2 | 0 | 0 | 0 | 0 | 115 | S15 | S15-S18 PolarHBondContact O-N 2.73Š|
| 19 | A | 49.2 | Very low | 68.7 | Low | 88 Ų | 88 | 94.2 Ų | 94.2 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -113.4 | 59.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 20 | C | 48.4 | Very low | 69.7 | Low | 129 Ų | 129 | 91.7 Ų | 91.7 | 87% | 0.872 | 56% | 0.558 | S | S | * | * | trans | -174.1 | 55.7 | 156.7 | -99.6 | 0 | 0 | 0 | 0 | 110.8 | G22 | C20-G22 PolarHBondContact O-N 3.46Š| ||
| 21 | S | 51.7 | Low | 70.8 | Confident | 117 Ų | 117 | 88.1 Ų | 88.1 | 82% | 0.818 | 54% | 0.544 | S | S | * | . | trans | -85.1 | 62.2 | 154.5 | 63.5 | 0 | 0 | 0 | 0 | 108.3 | Q23 | S21-Q23 PolarHBondContact O-N 3.35Š| ||
| 22 | G | 56.4 | Low | 71.9 | Confident | 66 Ų | 66 | 85.9 Ų | 85.9 | 68% | 0.68 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 125.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | C20 S24 | C20-G22 PolarHBondContact O-N 3.46Å; G22-S24 PolarHBondContact O-N 3.11Å |
| 23 | Q | 63.7 | Low | 73.4 | Confident | 187 Ų | 187 | 85.2 Ų | 85.2 | 87% | 0.874 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 125.2 | 175.1 | -172.8 | 145.5 | -3.6 | 0 | 0 | 108 | S21 | S21-Q23 PolarHBondContact O-N 3.35Š|
| 24 | S | 71.7 | Confident | 75 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 127 | -178.6 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | G22 M26 | G22-S24 PolarHBondContact O-N 3.11Å; S24-M26 WeakPolarHBondContact CB-O 3.34Å; S24-M26 PolarHBondContact O-N 3.3Å; S24-M26 PolarHBondContact OG-O 2.91Å |
| 25 | P | 86.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -63.5 | -14 | -177 | 25.2 | -34.1 | 0 | 0 | 0 | 112.6 | H40 M43 | P25-H40 WeakPolarHBondContact O-CB 3.4Å; P25-H40 PolarHBondContact O-N 3.39Å; P25-M43 HydrophobicContact CB-CB 3.94Å |
| 26 | M | 91.8 | Very high | 78.5 | Confident | 55 Ų | 55 | 79.4 Ų | 79.4 | 27% | 0.271 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 152.7 | 175 | 65.6 | -178.9 | -173.4 | 0 | 0 | 111.9 | S24 T38 I111 V113 | S24-M26 WeakPolarHBondContact CB-O 3.34Å; S24-M26 PolarHBondContact O-N 3.3Å; S24-M26 PolarHBondContact OG-O 2.91Å; M26-T38 CarbonylContact C-O 3.52Å; M26-T38 WeakPolarHBondContact CA-O 3.31Å; M26-I111 HydrophobicContact CE-CG2 3.85Å; M26-I111 HydrophobicContact SD-CG2 3.85Å; M26-V113 HydrophobicContact CE-CG1 3.95Å; M26-V113 HydrophobicContact SD-CG1 3.74Å |
| 27 | T | 95.6 | Very high | 80.3 | Confident | 75 Ų | 75 | 75.8 Ų | 75.8 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.6 | 172.1 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | L29 V37 T38 | T27-L29 HydrophobicContact CG2-CG 4.31Å; T27-V37 WeakPolarHBondContact O-CA 2.96Å; T27-T38 PolarHBondContact N-O 2.65Å; T27-T38 PolarHBondContact O-N 3.39Å |
| 28 | V | 97 | Very high | 82.2 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 21% | 0.206 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127 | 179.3 | -170.7 | 0 | 0 | 0 | 0 | 109 | F35 M36 V37 V113 C115 | V28-F35 HydrophobicContact CG1-CE1 3.94Å; V28-F35 HydrophobicContact CG1-CE2 4.02Å; V28-F35 HydrophobicContact CG1-CZ 3.47Å; V28-F35 VanDerWaalsContact CG1-CZ 3.47Å; V28-M36 CarbonylContact C-O 3.56Å; V28-M36 WeakPolarHBondContact CA-O 3.48Å; V28-V37 HydrophobicContact CG1-CG2 4.41Å; V28-V37 HydrophobicContact CG2-CG1 4.42Å; V28-V113 HydrophobicContact CG2-CB 3.94Å; V28-V113 HydrophobicContact CG2-CG1 3.98Å; V28-C115 HydrophobicContact CG1-CB 3.8Å |
| 29 | L | 97 | Very high | 84.3 | Confident | 88 Ų | 88 | 65 Ų | 65 | 46% | 0.461 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151 | 176.4 | -59.8 | 174.2 | 0 | 0 | 0 | 109.2 | T27 W34 M36 | T27-L29 HydrophobicContact CG2-CG 4.31Å; L29-W34 VanDerWaalsContact C-CZ3 3.45Å; L29-W34 HydrophobicContact CB-CH2 3.74Å; L29-W34 HydrophobicContact CB-CZ3 3.69Å; L29-W34 WeakPolarHBondContact O-CZ3 3.22Å; L29-M36 HydrophobicContact CB-CB 4.36Å; L29-M36 PolarHBondContact N-O 3.39Å; L29-M36 PolarHBondContact O-N 3.15Å; L29-M36 VanDerWaalsContact O-O 3.13Å |
| 30 | C | 96.3 | Very high | 86.5 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 14% | 0.135 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 155.9 | 178.7 | 66.1 | 0 | 0 | 0 | 0 | 112 | W34 F35 Y94 C115 A116 | C30-W34 WeakPolarHBondContact CA-O 3.36Å; C30-F35 HydrophobicContact CB-CD2 3.87Å; C30-F35 HydrophobicContact CB-CE2 4.42Å; C30-Y94 HydrophobicContact CB-CD2 4.19Å; C30-C115 HydrophobicContact CB-CB 3.66Å; C30-C115 WeakPolarHBondContact CB-SG 3.45Å; C30-C115 PolarHBondContact N-SG 3.46Å; C30-C115 WeakPolarHBondContact SG-CB 3.22Å; C30-C115 CovalentContact SG-SG 2.03Å; C30-C115 PolarHBondContact SG-SG 2.83Å; C30-A116 VanDerWaalsContact SG-C 3.6Å |
| 31 | S | 94.1 | Very high | 88.6 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 28% | 0.28 | 34% | 0.338 | S | S | . | . | trans | -131.7 | -173.5 | 168.4 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | D33 W34 Y94 | S31-D33 PolarHBondContact O-N 3.16Å; S31-W34 VanDerWaalsContact CB-NE1 3.34Å; S31-W34 PolarHBondContact N-O 3.07Å; S31-Y94 WeakPolarHBondContact O-CE2 3.38Å | ||
| 32 | I | 93.3 | Very high | 90.4 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 29% | 0.292 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -62.9 | -28.3 | 172.1 | 57.4 | 168.1 | 0 | 0 | 0 | 113 | V77 Y94 P118 | I32-V77 WeakPolarHBondContact O-CG2 3.42Å; I32-Y94 PolarHBondContact O-OH 3.05Å; I32-P118 WeakPolarHBondContact CG2-O 3.48Å |
| 33 | D | 94.2 | Very high | 91.9 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -105.3 | -26 | -172.8 | -57.3 | -48.5 | 0 | 0 | 0 | 113.4 | S31 R76 V77 | S31-D33 PolarHBondContact O-N 3.16Å; D33-R76 VanDerWaalsContact O-CA 3.28Å; D33-R76 WeakPolarHBondContact O-CA 3.38Å; D33-V77 PolarHBondContact O-N 3.16Å; D33-V77 VanDerWaalsContact O-N 3.15Å |
| 34 | W | 96.1 | Very high | 92.9 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.5 | -170.7 | 62.7 | -98.7 | 0 | 0 | 0 | 113.5 | L29 C30 S31 M36 Y75 | L29-W34 VanDerWaalsContact C-CZ3 3.45Å; L29-W34 HydrophobicContact CB-CH2 3.74Å; L29-W34 HydrophobicContact CB-CZ3 3.69Å; L29-W34 WeakPolarHBondContact O-CZ3 3.22Å; C30-W34 WeakPolarHBondContact CA-O 3.36Å; S31-W34 VanDerWaalsContact CB-NE1 3.34Å; S31-W34 PolarHBondContact N-O 3.07Å; W34-M36 HydrophobicContact CE3-CB 3.7Å; W34-M36 HydrophobicContact CE3-CE 4.37Å; W34-M36 HydrophobicContact CH2-CE 4.5Å; W34-M36 HydrophobicContact CZ3-CB 3.4Å; W34-M36 HydrophobicContact CZ3-CE 4.12Å; W34-Y75 CarbonylContact C-O 3.55Å; W34-Y75 VanDerWaalsContact CA-O 3.3Å; W34-Y75 WeakPolarHBondContact CA-O 3.3Å |
| 35 | F | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.8 | 173.8 | -167.7 | -90.5 | 0 | 0 | 0 | 108.8 | V28 C30 V37 T74 Y75 V77 I82 Y94 T96 V113 C115 | V28-F35 HydrophobicContact CG1-CE1 3.94Å; V28-F35 HydrophobicContact CG1-CE2 4.02Å; V28-F35 HydrophobicContact CG1-CZ 3.47Å; V28-F35 VanDerWaalsContact CG1-CZ 3.47Å; C30-F35 HydrophobicContact CB-CD2 3.87Å; C30-F35 HydrophobicContact CB-CE2 4.42Å; F35-V37 HydrophobicContact CD1-CG2 3.88Å; F35-V37 HydrophobicContact CE1-CG2 3.37Å; F35-V37 HydrophobicContact CZ-CG2 4.4Å; F35-T74 WeakPolarHBondContact O-CA 3.26Å; F35-Y75 PolarHBondContact N-O 3.05Å; F35-Y75 PolarHBondContact O-N 2.98Å; F35-V77 HydrophobicContact CB-CG1 4.37Å; F35-I82 HydrophobicContact CB-CD1 3.67Å; F35-I82 HydrophobicContact CB-CG1 4.49Å; F35-I82 HydrophobicContact CD1-CD1 4.37Å; F35-I82 HydrophobicContact CD2-CG2 4.42Å; F35-I82 HydrophobicContact CG-CD1 4.18Å; F35-I82 HydrophobicContact CG-CG2 4.49Å; F35-Y94 HydrophobicContact CD2-CG 4.43Å; F35-T96 HydrophobicContact CD1-CG2 4.15Å; F35-T96 HydrophobicContact CE1-CG2 3.58Å; F35-T96 HydrophobicContact CZ-CG2 4.07Å; F35-V113 HydrophobicContact CE1-CG2 3.99Å; F35-V113 HydrophobicContact CZ-CB 4.48Å; F35-V113 HydrophobicContact CZ-CG2 4.1Å; F35-C115 HydrophobicContact CE2-CB 4.09Å |
| 36 | M | 98.3 | Very high | 93 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 18% | 0.177 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.3 | -176 | -171.1 | -177.4 | -67.1 | 0 | 0 | 110.5 | V28 L29 W34 Q72 F73 T74 | V28-M36 CarbonylContact C-O 3.56Å; V28-M36 WeakPolarHBondContact CA-O 3.48Å; L29-M36 HydrophobicContact CB-CB 4.36Å; L29-M36 PolarHBondContact N-O 3.39Å; L29-M36 PolarHBondContact O-N 3.15Å; L29-M36 VanDerWaalsContact O-O 3.13Å; W34-M36 HydrophobicContact CE3-CB 3.7Å; W34-M36 HydrophobicContact CE3-CE 4.37Å; W34-M36 HydrophobicContact CH2-CE 4.5Å; W34-M36 HydrophobicContact CZ3-CB 3.4Å; W34-M36 HydrophobicContact CZ3-CE 4.12Å; M36-Q72 VanDerWaalsContact CE-NE2 3.3Å; M36-Q72 HydrophobicContact CG-CG 3.96Å; M36-Q72 HydrophobicContact SD-CG 4.38Å; M36-Q72 PolarHBondContact SD-NE2 3.39Å; M36-F73 CarbonylContact C-O 3.57Å; M36-F73 WeakPolarHBondContact CA-O 3.45Å; M36-T74 HydrophobicContact CB-CG2 4.48Å; M36-T74 HydrophobicContact CE-CG2 3.7Å |
| 37 | V | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.8 | 170.1 | -171.3 | 0 | 0 | 0 | 0 | 108.2 | T27 V28 F35 V39 L57 Q72 F73 I98 V113 | T27-V37 WeakPolarHBondContact O-CA 2.96Å; V28-V37 HydrophobicContact CG1-CG2 4.41Å; V28-V37 HydrophobicContact CG2-CG1 4.42Å; F35-V37 HydrophobicContact CD1-CG2 3.88Å; F35-V37 HydrophobicContact CE1-CG2 3.37Å; F35-V37 HydrophobicContact CZ-CG2 4.4Å; V37-V39 HydrophobicContact CG1-CG2 3.81Å; V37-L57 HydrophobicContact CG2-CD1 3.94Å; V37-Q72 CarbonylContact O-C 3.6Å; V37-Q72 WeakPolarHBondContact O-CA 3.31Å; V37-F73 HydrophobicContact CB-CB 4.35Å; V37-F73 HydrophobicContact CB-CD2 4.5Å; V37-F73 PolarHBondContact N-O 3.19Å; V37-F73 PolarHBondContact O-N 2.81Å; V37-I98 HydrophobicContact CB-CD1 4.41Å; V37-I98 HydrophobicContact CG1-CD1 4.1Å; V37-I98 HydrophobicContact CG1-CG1 4.2Å; V37-V113 HydrophobicContact CG2-CG2 4.1Å |
| 38 | T | 97.3 | Very high | 91.7 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.8 | 171.9 | -56 | 0 | 0 | 0 | 0 | 108.2 | M26 T27 A70 Y71 | M26-T38 CarbonylContact C-O 3.52Å; M26-T38 WeakPolarHBondContact CA-O 3.31Å; T27-T38 PolarHBondContact N-O 2.65Å; T27-T38 PolarHBondContact O-N 3.39Å; T38-A70 HydrophobicContact CG2-CB 3.91Å; T38-Y71 CarbonylContact C-O 3.59Å; T38-Y71 WeakPolarHBondContact CA-O 3.42Å |
| 39 | V | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131 | -175.2 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | V37 M43 L55 A70 Y71 F73 I98 | V37-V39 HydrophobicContact CG1-CG2 3.81Å; V39-M43 HydrophobicContact CG1-CB 4.07Å; V39-M43 HydrophobicContact CG1-CG 3.94Å; V39-M43 HydrophobicContact CG1-SD 3.2Å; V39-M43 WeakPolarHBondContact CG1-SD 3.44Å; V39-L55 HydrophobicContact CG1-CD1 3.97Å; V39-A70 CarbonylContact O-C 3.58Å; V39-A70 WeakPolarHBondContact O-CA 3.48Å; V39-Y71 PolarHBondContact N-O 2.85Å; V39-Y71 PolarHBondContact O-N 2.89Å; V39-F73 HydrophobicContact CG2-CD2 4.36Å; V39-F73 HydrophobicContact CG2-CE2 4.07Å; V39-I98 HydrophobicContact CG2-CD1 4.44Å |
| 40 | H | 94.5 | Very high | 91 | Very high | 77 Ų | 77 | 54 Ų | 54 | 36% | 0.356 | 29% | 0.287 | S | S | . | . | trans | -81.7 | 132.8 | 171.1 | -166.4 | 10.9 | 0 | 0 | 0 | 110 | P25 F42 M43 H69 | P25-H40 WeakPolarHBondContact O-CB 3.4Å; P25-H40 PolarHBondContact O-N 3.39Å; H40-F42 AromaticContact CE1-CD2 3.72Å; H40-F42 AromaticContact NE2-CD2 3.9Å; H40-F42 PolarHBondContact O-N 2.87Å; H40-M43 VanDerWaalsContact O-CB 3.27Å; H40-M43 WeakPolarHBondContact O-CB 2.99Å; H40-M43 PolarHBondContact O-N 2.97Å; H40-H69 PolarHBondContact ND1-O 3.27Å | ||
| 41 | P | 92.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -28.8 | 176.1 | -16.7 | 0.6 | 0 | 0 | 0 | 116.3 | M43 C49 V50 P68 H69 Y71 | P41-M43 VanDerWaalsContact C-N 3.3Å; P41-M43 PolarHBondContact O-N 3.04Å; P41-C49 VanDerWaalsContact CB-SG 3.51Å; P41-V50 WeakPolarHBondContact O-CB 3.33Å; P41-V50 PolarHBondContact O-N 3.43Å; P41-P68 WeakPolarHBondContact CG-O 3.43Å; P41-H69 WeakPolarHBondContact CD-O 3.47Å; P41-Y71 HydrophobicContact CB-CE2 3.96Å; P41-Y71 HydrophobicContact CG-CE1 4.21Å; P41-Y71 HydrophobicContact CG-CE2 4.05Å |
| 42 | F | 90 | Very high | 90.9 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 25.1 | 178 | -59.7 | -70.9 | 0 | 0 | 0 | 114 | H40 L44 N45 N46 C49 | H40-F42 AromaticContact CE1-CD2 3.72Å; H40-F42 AromaticContact NE2-CD2 3.9Å; H40-F42 PolarHBondContact O-N 2.87Å; F42-L44 PolarHBondContact O-N 2.94Å; F42-L44 VanDerWaalsContact O-N 3.16Å; F42-N45 CarbonylContact O-C 3.6Å; F42-N45 PolarHBondContact O-N 2.7Å; F42-N46 WeakPolarHBondContact CD1-O 3.41Å; F42-C49 HydrophobicContact CD1-CB 4.4Å; F42-C49 HydrophobicContact CE1-CB 3.79Å; F42-C49 HydrophobicContact CZ-CB 4.24Å |
| 43 | M | 87.8 | Confident | 90.9 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -61.3 | -25.5 | -172.5 | 63.4 | 169.9 | -137.3 | 0 | 0 | 115.3 | P25 V39 H40 P41 V50 L55 I111 | P25-M43 HydrophobicContact CB-CB 3.94Å; V39-M43 HydrophobicContact CG1-CB 4.07Å; V39-M43 HydrophobicContact CG1-CG 3.94Å; V39-M43 HydrophobicContact CG1-SD 3.2Å; V39-M43 WeakPolarHBondContact CG1-SD 3.44Å; H40-M43 VanDerWaalsContact O-CB 3.27Å; H40-M43 WeakPolarHBondContact O-CB 2.99Å; H40-M43 PolarHBondContact O-N 2.97Å; P41-M43 VanDerWaalsContact C-N 3.3Å; P41-M43 PolarHBondContact O-N 3.04Å; M43-V50 HydrophobicContact CG-CG2 4.34Å; M43-L55 HydrophobicContact CE-CD2 3.54Å; M43-L55 HydrophobicContact SD-CD1 4.32Å; M43-L55 HydrophobicContact SD-CD2 4.02Å; M43-I111 HydrophobicContact CE-CD1 3.49Å; M43-I111 VanDerWaalsContact CE-CD1 3.49Å; M43-I111 HydrophobicContact SD-CD1 4.19Å |
| 44 | L | 84.3 | Confident | 91 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -92.8 | -42.9 | -178.3 | -64.3 | 179 | 0 | 0 | 0 | 112.1 | F42 V50 Y100 F109 | F42-L44 PolarHBondContact O-N 2.94Å; F42-L44 VanDerWaalsContact O-N 3.16Å; L44-V50 HydrophobicContact CD1-CG2 3.79Å; L44-V50 HydrophobicContact CG-CG2 4.03Å; L44-Y100 HydrophobicContact CD1-CD1 3.95Å; L44-Y100 HydrophobicContact CD1-CD2 4.03Å; L44-Y100 HydrophobicContact CD1-CE1 3.79Å; L44-Y100 HydrophobicContact CD1-CE2 3.91Å; L44-Y100 HydrophobicContact CD1-CG 4.01Å; L44-F109 HydrophobicContact CD1-CD2 3.91Å; L44-F109 HydrophobicContact CD1-CE2 4.08Å; L44-F109 HydrophobicContact CD2-CD2 3.97Å; L44-F109 HydrophobicContact CD2-CE2 4.49Å; L44-F109 HydrophobicContact CD2-CG 4.47Å |
| 45 | N | 80.8 | Confident | 91 | Very high | 76 Ų | 76 | 52.1 Ų | 52.1 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -157.5 | 149.5 | 176.3 | -172.4 | 6.7 | 0 | 0 | 0 | 108.9 | F42 D47 V48 | F42-N45 CarbonylContact O-C 3.6Å; F42-N45 PolarHBondContact O-N 2.7Å; N45-D47 PolarHBondContact ND2-OD2 3.17Å; N45-D47 PolarHBondContact O-N 2.82Å; N45-V48 PolarHBondContact O-N 3.29Å |
| 46 | N | 80.3 | Confident | 90.9 | Very high | 133 Ų | 133 | 54.9 Ų | 54.9 | 71% | 0.711 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.9 | 178.1 | -65.3 | -45.2 | 0 | 0 | 0 | 113.4 | F42 | F42-N46 WeakPolarHBondContact CD1-O 3.41Š|
| 47 | D | 79.8 | Confident | 90.9 | Very high | 138 Ų | 138 | 53.2 Ų | 53.2 | 74% | 0.738 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -12.2 | -177.3 | -54.1 | -46.8 | 0 | 0 | 0 | 113.6 | N45 | N45-D47 PolarHBondContact ND2-OD2 3.17Å; N45-D47 PolarHBondContact O-N 2.82Å |
| 48 | V | 81.4 | Confident | 90.9 | Very high | 76 Ų | 76 | 54 Ų | 54 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -125.3 | 112.9 | -173 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | N45 V50 | N45-V48 PolarHBondContact O-N 3.29Å; V48-V50 PolarHBondContact O-N 3.18Å |
| 49 | C | 87 | Confident | 90.9 | Very high | 73 Ų | 73 | 59 Ų | 59 | 49% | 0.493 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 116.9 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | P41 F42 | P41-C49 VanDerWaalsContact CB-SG 3.51Å; F42-C49 HydrophobicContact CD1-CB 4.4Å; F42-C49 HydrophobicContact CE1-CB 3.79Å; F42-C49 HydrophobicContact CZ-CB 4.24Å |
| 50 | V | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 131 | 170.5 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | P41 M43 L44 V48 E54 L55 Y71 Y100 | P41-V50 WeakPolarHBondContact O-CB 3.33Å; P41-V50 PolarHBondContact O-N 3.43Å; M43-V50 HydrophobicContact CG-CG2 4.34Å; L44-V50 HydrophobicContact CD1-CG2 3.79Å; L44-V50 HydrophobicContact CG-CG2 4.03Å; V48-V50 PolarHBondContact O-N 3.18Å; V50-E54 HydrophobicContact CG1-CB 4.23Å; V50-L55 HydrophobicContact CG1-CD1 3.72Å; V50-L55 HydrophobicContact CG1-CD2 3.94Å; V50-L55 HydrophobicContact CG1-CG 3.61Å; V50-Y71 WeakPolarHBondContact O-CE2 3.45Å; V50-Y71 PolarHBondContact O-OH 2.79Å; V50-Y100 HydrophobicContact CB-CE2 4.4Å; V50-Y100 HydrophobicContact CG1-CD2 3.67Å; V50-Y100 HydrophobicContact CG1-CE2 3.71Å; V50-Y100 HydrophobicContact CG2-CD2 4.27Å; V50-Y100 HydrophobicContact CG2-CE2 3.95Å |
| 51 | H | 93.2 | Very high | 91 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 44% | 0.44 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 145.6 | 175.2 | -161.9 | -103.3 | 0 | 0 | 0 | 110.6 | H53 E54 | H51-H53 AromaticContact CE1-CE1 3.93Å; H51-H53 AromaticContact CE1-ND1 3.13Å; H51-H53 PolarHBondContact CE1-ND1 3.25Å; H51-H53 AromaticContact ND1-CG 3.89Å; H51-H53 AromaticContact ND1-ND1 3.26Å; H51-H53 PolarHBondContact ND1-ND1 2.84Å; H51-H53 PolarHBondContact O-N 2.87Å; H51-H53 VanDerWaalsContact O-N 3.12Å; H51-E54 HydrophobicContact CB-CG 4.21Å; H51-E54 PolarHBondContact N-OE2 3.03Å; H51-E54 WeakPolarHBondContact O-CB 3.44Å; H51-E54 PolarHBondContact O-N 3.15Å |
| 52 | F | 94.5 | Very high | 91.3 | Very high | 56 Ų | 56 | 61.7 Ų | 61.7 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -61.1 | -26.9 | -176.2 | 70.1 | -91.1 | 0 | 0 | 0 | 114.1 | E54 L55 P63 V66 Y71 | F52-E54 PolarHBondContact O-N 3.42Å; F52-L55 PolarHBondContact O-N 2.94Å; F52-P63 HydrophobicContact CB-CG 3.91Å; F52-P63 HydrophobicContact CD2-CG 4.07Å; F52-P63 HydrophobicContact CG-CG 4.48Å; F52-V66 HydrophobicContact CB-CG1 4.09Å; F52-V66 HydrophobicContact CB-CG2 4.08Å; F52-V66 HydrophobicContact CD1-CG1 3.72Å; F52-V66 HydrophobicContact CD2-CG1 4.45Å; F52-V66 HydrophobicContact CD2-CG2 3.8Å; F52-V66 HydrophobicContact CE1-CG1 4.14Å; F52-V66 HydrophobicContact CE2-CG2 4.24Å; F52-V66 HydrophobicContact CG-CG1 3.86Å; F52-V66 HydrophobicContact CG-CG2 3.91Å; F52-Y71 HydrophobicContact CB-CD1 3.81Å; F52-Y71 HydrophobicContact CB-CD2 4.16Å; F52-Y71 HydrophobicContact CB-CE1 3.81Å; F52-Y71 HydrophobicContact CB-CE2 4.13Å; F52-Y71 HydrophobicContact CB-CG 3.97Å |
| 53 | H | 94.7 | Very high | 91.6 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 47% | 0.468 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -76 | -8.5 | 174.9 | -69.5 | 94.1 | 0 | 0 | 0 | 114.4 | H51 L55 H56 | H51-H53 AromaticContact CE1-CE1 3.93Å; H51-H53 AromaticContact CE1-ND1 3.13Å; H51-H53 PolarHBondContact CE1-ND1 3.25Å; H51-H53 AromaticContact ND1-CG 3.89Å; H51-H53 AromaticContact ND1-ND1 3.26Å; H51-H53 PolarHBondContact ND1-ND1 2.84Å; H51-H53 PolarHBondContact O-N 2.87Å; H51-H53 VanDerWaalsContact O-N 3.12Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-H56 PolarHBondContact O-NE2 2.02Å |
| 54 | E | 94.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -90.5 | -5.3 | 174.3 | -63.3 | -179.4 | 126.3 | 0 | 0 | 111.3 | V50 H51 F52 Y100 S101 S102 K103 | V50-E54 HydrophobicContact CG1-CB 4.23Å; H51-E54 HydrophobicContact CB-CG 4.21Å; H51-E54 PolarHBondContact N-OE2 3.03Å; H51-E54 WeakPolarHBondContact O-CB 3.44Å; H51-E54 PolarHBondContact O-N 3.15Å; F52-E54 PolarHBondContact O-N 3.42Å; E54-Y100 HydrophobicContact CB-CD2 4.05Å; E54-Y100 HydrophobicContact CB-CE2 3.96Å; E54-Y100 CarbonylContact O-C 3.58Å; E54-Y100 VanDerWaalsContact O-CA 3.28Å; E54-Y100 WeakPolarHBondContact O-CA 3.41Å; E54-S101 WeakPolarHBondContact CB-O 3.2Å; E54-S101 PolarHBondContact O-N 2.88Å; E54-S102 WeakPolarHBondContact OE1-CA 3.23Å; E54-K103 HydrophobicContact CG-CG 3.97Å; E54-K103 PolarHBondContact OE1-N 2.68Å |
| 55 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.2 | -176.4 | -65.8 | 173 | 0 | 0 | 0 | 111.9 | V39 M43 V50 F52 H53 Y71 F73 I98 H99 Y100 | V39-L55 HydrophobicContact CG1-CD1 3.97Å; M43-L55 HydrophobicContact CE-CD2 3.54Å; M43-L55 HydrophobicContact SD-CD1 4.32Å; M43-L55 HydrophobicContact SD-CD2 4.02Å; V50-L55 HydrophobicContact CG1-CD1 3.72Å; V50-L55 HydrophobicContact CG1-CD2 3.94Å; V50-L55 HydrophobicContact CG1-CG 3.61Å; F52-L55 PolarHBondContact O-N 2.94Å; H53-L55 VanDerWaalsContact C-N 3.32Å; L55-Y71 HydrophobicContact CD1-CD2 3.69Å; L55-Y71 HydrophobicContact CD1-CE2 4.19Å; L55-F73 HydrophobicContact CB-CZ 3.82Å; L55-I98 HydrophobicContact CD2-CG2 3.98Å; L55-H99 WeakPolarHBondContact CA-O 3.36Å; L55-Y100 HydrophobicContact CD2-CD2 4.09Å |
| 56 | H | 97.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 61.5 Ų | 61.5 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 146 | 176.1 | -57.4 | -91.3 | 0 | 0 | 0 | 111 | H53 G60 C61 H99 | H53-H56 PolarHBondContact O-NE2 2.02Å; H56-G60 PolarHBondContact ND1-O 3.28Å; H56-C61 CarbonylContact C-O 3.56Å; H56-C61 VanDerWaalsContact CA-O 3.31Å; H56-C61 WeakPolarHBondContact CA-O 3.45Å; H56-H99 PolarHBondContact N-O 2.76Å; H56-H99 PolarHBondContact O-N 3.16Å |
| 57 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.5 | 173.5 | -170.5 | 80.7 | 0 | 0 | 0 | 110.1 | V37 L59 G60 C61 F73 Y75 C80 I82 T96 I98 V113 | V37-L57 HydrophobicContact CG2-CD1 3.94Å; L57-L59 PolarHBondContact O-N 2.92Å; L57-L59 VanDerWaalsContact O-N 3.07Å; L57-G60 PolarHBondContact O-N 2.8Å; L57-C61 HydrophobicContact CB-CB 4.27Å; L57-C61 PolarHBondContact N-O 2.53Å; L57-C61 WeakPolarHBondContact O-CB 3.44Å; L57-C61 PolarHBondContact O-N 2.83Å; L57-F73 HydrophobicContact CB-CB 4.38Å; L57-F73 HydrophobicContact CB-CD1 3.72Å; L57-F73 HydrophobicContact CB-CE1 4.34Å; L57-F73 HydrophobicContact CB-CG 4.26Å; L57-F73 HydrophobicContact CD2-CB 4.21Å; L57-Y75 HydrophobicContact CD2-CD2 3.71Å; L57-Y75 HydrophobicContact CD2-CE2 4.4Å; L57-C80 HydrophobicContact CD2-CB 4.2Å; L57-I82 HydrophobicContact CD2-CD1 4.44Å; L57-T96 HydrophobicContact CD1-CG2 3.54Å; L57-T96 HydrophobicContact CD2-CG2 4.32Å; L57-T96 HydrophobicContact CG-CG2 3.96Å; L57-I98 HydrophobicContact CB-CD1 4.36Å; L57-I98 HydrophobicContact CD1-CD1 3.41Å; L57-I98 VanDerWaalsContact CD1-CD1 3.41Å; L57-I98 HydrophobicContact CD1-CG1 4.16Å; L57-V113 HydrophobicContact CD1-CG2 4.48Å |
| 58 | G | 97.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | -110.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G60 C80 E97 H99 | G58-G60 PolarHBondContact O-N 2.79Å; G58-C80 WeakPolarHBondContact CA-O 3.49Å; G58-E97 PolarHBondContact N-O 3.25Å; G58-H99 PolarHBondContact O-CD2 3.44Å; G58-H99 PolarHBondContact O-NE2 3Å |
| 59 | L | 96.7 | Very high | 95 | Very high | 146 Ų | 146 | 60.6 Ų | 60.6 | 76% | 0.764 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 27 | -176.3 | -58.3 | 177.4 | 0 | 0 | 0 | 115.1 | L57 C80 | L57-L59 PolarHBondContact O-N 2.92Å; L57-L59 VanDerWaalsContact O-N 3.07Å; L59-C80 PolarHBondContact N-O 3.32Å |
| 60 | G | 96.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 58 Ų | 58 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | 11.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H56 L57 G58 | H56-G60 PolarHBondContact ND1-O 3.28Å; L57-G60 PolarHBondContact O-N 2.8Å; G58-G60 PolarHBondContact O-N 2.79Å |
| 61 | C | 97.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 127.4 | -176.7 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | H56 L57 Y75 C80 | H56-C61 CarbonylContact C-O 3.56Å; H56-C61 VanDerWaalsContact CA-O 3.31Å; H56-C61 WeakPolarHBondContact CA-O 3.45Å; L57-C61 HydrophobicContact CB-CB 4.27Å; L57-C61 PolarHBondContact N-O 2.53Å; L57-C61 WeakPolarHBondContact O-CB 3.44Å; L57-C61 PolarHBondContact O-N 2.83Å; C61-Y75 HydrophobicContact CB-CD2 4.45Å; C61-Y75 HydrophobicContact CB-CE1 4.21Å; C61-Y75 HydrophobicContact CB-CE2 3.8Å; C61-C80 HydrophobicContact CB-CB 3.77Å; C61-C80 WeakPolarHBondContact CB-SG 3.37Å; C61-C80 WeakPolarHBondContact SG-CA 3.19Å; C61-C80 WeakPolarHBondContact SG-CB 3.47Å; C61-C80 CovalentContact SG-SG 2.02Å; C61-C80 PolarHBondContact SG-SG 3.26Å |
| 62 | P | 97.6 | Very high | 95.8 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 168.5 | -179.4 | 31.3 | -35.7 | 0 | 0 | 0 | 112.2 | F73 Y75 | P62-F73 VanDerWaalsContact C-CE1 3.46Å; P62-F73 WeakPolarHBondContact O-CD1 3.43Å; P62-Y75 WeakPolarHBondContact O-CE2 3.28Å; P62-Y75 PolarHBondContact O-OH 2.87Å |
| 63 | P | 97.4 | Very high | 96 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 138.6 | 168.2 | 23.2 | -26.9 | 0 | 0 | 0 | 110.2 | F52 V66 Q72 F73 | F52-P63 HydrophobicContact CB-CG 3.91Å; F52-P63 HydrophobicContact CD2-CG 4.07Å; F52-P63 HydrophobicContact CG-CG 4.48Å; P63-V66 HydrophobicContact CB-CG2 4.11Å; P63-V66 HydrophobicContact CG-CG2 3.94Å; P63-Q72 CarbonylContact C-O 3.55Å; P63-Q72 WeakPolarHBondContact CA-O 3.47Å; P63-F73 HydrophobicContact CB-CD1 4.19Å; P63-F73 HydrophobicContact CB-CD2 4.4Å; P63-F73 HydrophobicContact CB-CE1 3.83Å; P63-F73 HydrophobicContact CB-CE2 4.03Å; P63-F73 HydrophobicContact CB-CG 4.46Å; P63-F73 HydrophobicContact CB-CZ 3.72Å; P63-F73 HydrophobicContact CG-CE1 4.14Å; P63-F73 HydrophobicContact CG-CZ 3.98Å |
| 64 | N | 97.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -93.8 | -17.2 | 177.9 | 52.6 | 45.7 | 0 | 0 | 0 | 113.6 | Q72 T74 | N64-Q72 PolarHBondContact N-O 2.91Å; N64-Q72 PolarHBondContact OD1-O 2.89Å; N64-T74 VanDerWaalsContact ND2-C 3.27Å; N64-T74 WeakPolarHBondContact ND2-CA 3.34Å; N64-T74 PolarHBondContact ND2-N 2.83Å; N64-T74 PolarHBondContact ND2-O 2.82Å; N64-T74 PolarHBondContact OD1-N 3.42Å |
| 65 | H | 96.8 | Very high | 96.3 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 122.7 | 172.2 | -168.9 | -95.1 | 0 | 0 | 0 | 109.9 | Q67 Q72 | H65-Q67 WeakPolarHBondContact CE1-CG 3.22Å; H65-Q67 PolarHBondContact CE1-NE2 3Å; H65-Q67 WeakPolarHBondContact ND1-CG 2.96Å; H65-Q67 PolarHBondContact ND1-NE2 2.97Å; H65-Q67 VanDerWaalsContact ND1-NE2 3.19Å; H65-Q72 HydrophobicContact CB-CB 4.14Å; H65-Q72 PolarHBondContact N-O 3.18Å; H65-Q72 PolarHBondContact O-N 2.03Å |
| 66 | V | 96.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.7 | -175.3 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | F52 P63 Y71 | F52-V66 HydrophobicContact CB-CG1 4.09Å; F52-V66 HydrophobicContact CB-CG2 4.08Å; F52-V66 HydrophobicContact CD1-CG1 3.72Å; F52-V66 HydrophobicContact CD2-CG1 4.45Å; F52-V66 HydrophobicContact CD2-CG2 3.8Å; F52-V66 HydrophobicContact CE1-CG1 4.14Å; F52-V66 HydrophobicContact CE2-CG2 4.24Å; F52-V66 HydrophobicContact CG-CG1 3.86Å; F52-V66 HydrophobicContact CG-CG2 3.91Å; P63-V66 HydrophobicContact CB-CG2 4.11Å; P63-V66 HydrophobicContact CG-CG2 3.94Å; V66-Y71 HydrophobicContact CG1-CD1 3.84Å; V66-Y71 HydrophobicContact CG1-CE1 3.91Å |
| 67 | Q | 94 | Very high | 96.4 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 157.6 | 172.5 | -56.7 | 177.6 | 24.2 | 0 | 0 | 109 | H65 H69 A70 | H65-Q67 WeakPolarHBondContact CE1-CG 3.22Å; H65-Q67 PolarHBondContact CE1-NE2 3Å; H65-Q67 WeakPolarHBondContact ND1-CG 2.96Å; H65-Q67 PolarHBondContact ND1-NE2 2.97Å; H65-Q67 VanDerWaalsContact ND1-NE2 3.19Å; Q67-H69 PolarHBondContact O-N 2.82Å; Q67-A70 WeakPolarHBondContact CA-O 3.38Å; Q67-A70 HydrophobicContact CB-CB 4.45Å; Q67-A70 WeakPolarHBondContact CB-O 3.06Å; Q67-A70 PolarHBondContact N-O 3.26Å; Q67-A70 PolarHBondContact O-N 2.83Å; Q67-A70 VanDerWaalsContact O-O 3.11Å |
| 68 | P | 89.6 | Confident | 96.3 | Very high | 108 Ų | 108 | 63.5 Ų | 63.5 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.1 | 177.4 | -27.7 | 35.8 | 0 | 0 | 0 | 114.6 | P41 | P41-P68 WeakPolarHBondContact CG-O 3.43Š|
| 69 | H | 90.1 | Very high | 96.3 | Very high | 135 Ų | 135 | 66.5 Ų | 66.5 | 63% | 0.625 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | -1.3 | -175.3 | -50.8 | -42.4 | 0 | 0 | 0 | 113.5 | H40 P41 Q67 | H40-H69 PolarHBondContact ND1-O 3.27Å; P41-H69 WeakPolarHBondContact CD-O 3.47Å; Q67-H69 PolarHBondContact O-N 2.82Å |
| 70 | A | 94.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 132.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T38 V39 Q67 | T38-A70 HydrophobicContact CG2-CB 3.91Å; V39-A70 CarbonylContact O-C 3.58Å; V39-A70 WeakPolarHBondContact O-CA 3.48Å; Q67-A70 WeakPolarHBondContact CA-O 3.38Å; Q67-A70 HydrophobicContact CB-CB 4.45Å; Q67-A70 WeakPolarHBondContact CB-O 3.06Å; Q67-A70 PolarHBondContact N-O 3.26Å; Q67-A70 PolarHBondContact O-N 2.83Å; Q67-A70 VanDerWaalsContact O-O 3.11Å |
| 71 | Y | 97.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.2 | 169.1 | -47.3 | -41.1 | 0 | 0 | 0 | 108.9 | T38 V39 P41 V50 F52 L55 V66 | T38-Y71 CarbonylContact C-O 3.59Å; T38-Y71 WeakPolarHBondContact CA-O 3.42Å; V39-Y71 PolarHBondContact N-O 2.85Å; V39-Y71 PolarHBondContact O-N 2.89Å; P41-Y71 HydrophobicContact CB-CE2 3.96Å; P41-Y71 HydrophobicContact CG-CE1 4.21Å; P41-Y71 HydrophobicContact CG-CE2 4.05Å; V50-Y71 WeakPolarHBondContact O-CE2 3.45Å; V50-Y71 PolarHBondContact O-OH 2.79Å; F52-Y71 HydrophobicContact CB-CD1 3.81Å; F52-Y71 HydrophobicContact CB-CD2 4.16Å; F52-Y71 HydrophobicContact CB-CE1 3.81Å; F52-Y71 HydrophobicContact CB-CE2 4.13Å; F52-Y71 HydrophobicContact CB-CG 3.97Å; L55-Y71 HydrophobicContact CD1-CD2 3.69Å; L55-Y71 HydrophobicContact CD1-CE2 4.19Å; V66-Y71 HydrophobicContact CG1-CD1 3.84Å; V66-Y71 HydrophobicContact CG1-CE1 3.91Å |
| 72 | Q | 97.9 | Very high | 96.3 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 20% | 0.201 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.5 | -173.1 | -171.1 | -179.3 | -20.1 | 0 | 0 | 110.9 | M36 V37 P63 N64 H65 T74 | M36-Q72 VanDerWaalsContact CE-NE2 3.3Å; M36-Q72 HydrophobicContact CG-CG 3.96Å; M36-Q72 HydrophobicContact SD-CG 4.38Å; M36-Q72 PolarHBondContact SD-NE2 3.39Å; V37-Q72 CarbonylContact O-C 3.6Å; V37-Q72 WeakPolarHBondContact O-CA 3.31Å; P63-Q72 CarbonylContact C-O 3.55Å; P63-Q72 WeakPolarHBondContact CA-O 3.47Å; N64-Q72 PolarHBondContact N-O 2.91Å; N64-Q72 PolarHBondContact OD1-O 2.89Å; H65-Q72 HydrophobicContact CB-CB 4.14Å; H65-Q72 PolarHBondContact N-O 3.18Å; H65-Q72 PolarHBondContact O-N 2.03Å; Q72-T74 WeakPolarHBondContact CG-OG1 3.34Å; Q72-T74 PolarHBondContact NE2-OG1 2.81Å |
| 73 | F | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 97.7 | 176.4 | -58.1 | -101 | 0 | 0 | 0 | 107.3 | M36 V37 V39 L55 L57 P62 P63 Y75 I98 | M36-F73 CarbonylContact C-O 3.57Å; M36-F73 WeakPolarHBondContact CA-O 3.45Å; V37-F73 HydrophobicContact CB-CB 4.35Å; V37-F73 HydrophobicContact CB-CD2 4.5Å; V37-F73 PolarHBondContact N-O 3.19Å; V37-F73 PolarHBondContact O-N 2.81Å; V39-F73 HydrophobicContact CG2-CD2 4.36Å; V39-F73 HydrophobicContact CG2-CE2 4.07Å; L55-F73 HydrophobicContact CB-CZ 3.82Å; L57-F73 HydrophobicContact CB-CB 4.38Å; L57-F73 HydrophobicContact CB-CD1 3.72Å; L57-F73 HydrophobicContact CB-CE1 4.34Å; L57-F73 HydrophobicContact CB-CG 4.26Å; L57-F73 HydrophobicContact CD2-CB 4.21Å; P62-F73 VanDerWaalsContact C-CE1 3.46Å; P62-F73 WeakPolarHBondContact O-CD1 3.43Å; P63-F73 HydrophobicContact CB-CD1 4.19Å; P63-F73 HydrophobicContact CB-CD2 4.4Å; P63-F73 HydrophobicContact CB-CE1 3.83Å; P63-F73 HydrophobicContact CB-CE2 4.03Å; P63-F73 HydrophobicContact CB-CG 4.46Å; P63-F73 HydrophobicContact CB-CZ 3.72Å; P63-F73 HydrophobicContact CG-CE1 4.14Å; P63-F73 HydrophobicContact CG-CZ 3.98Å; F73-Y75 HydrophobicContact CB-CD2 4.22Å; F73-Y75 HydrophobicContact CB-CE2 4.14Å; F73-Y75 HydrophobicContact CD1-CE2 4.29Å; F73-I98 HydrophobicContact CD2-CD1 4.15Å; F73-I98 HydrophobicContact CE2-CD1 4.2Å; F73-I98 HydrophobicContact CG-CD1 4.46Å |
| 74 | T | 98 | Very high | 96.3 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 99.6 | 177.8 | -47.5 | 0 | 0 | 0 | 0 | 110.1 | F35 M36 N64 Q72 | F35-T74 WeakPolarHBondContact O-CA 3.26Å; M36-T74 HydrophobicContact CB-CG2 4.48Å; M36-T74 HydrophobicContact CE-CG2 3.7Å; N64-T74 VanDerWaalsContact ND2-C 3.27Å; N64-T74 WeakPolarHBondContact ND2-CA 3.34Å; N64-T74 PolarHBondContact ND2-N 2.83Å; N64-T74 PolarHBondContact ND2-O 2.82Å; N64-T74 PolarHBondContact OD1-N 3.42Å; Q72-T74 WeakPolarHBondContact CG-OG1 3.34Å; Q72-T74 PolarHBondContact NE2-OG1 2.81Å |
| 75 | Y | 98.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 161.3 | -176.5 | -73.7 | -78.4 | 0 | 0 | 0 | 111.6 | W34 F35 L57 C61 P62 F73 C80 | W34-Y75 CarbonylContact C-O 3.55Å; W34-Y75 VanDerWaalsContact CA-O 3.3Å; W34-Y75 WeakPolarHBondContact CA-O 3.3Å; F35-Y75 PolarHBondContact N-O 3.05Å; F35-Y75 PolarHBondContact O-N 2.98Å; L57-Y75 HydrophobicContact CD2-CD2 3.71Å; L57-Y75 HydrophobicContact CD2-CE2 4.4Å; C61-Y75 HydrophobicContact CB-CD2 4.45Å; C61-Y75 HydrophobicContact CB-CE1 4.21Å; C61-Y75 HydrophobicContact CB-CE2 3.8Å; P62-Y75 WeakPolarHBondContact O-CE2 3.28Å; P62-Y75 PolarHBondContact O-OH 2.87Å; F73-Y75 HydrophobicContact CB-CD2 4.22Å; F73-Y75 HydrophobicContact CB-CE2 4.14Å; F73-Y75 HydrophobicContact CD1-CE2 4.29Å; Y75-C80 WeakPolarHBondContact CD1-SG 3.34Å; Y75-C80 VanDerWaalsContact CE1-SG 3.58Å; Y75-C80 HydrophobicContact CG-CB 4.4Å |
| 76 | R | 97.6 | Very high | 96.1 | Very high | 166 Ų | 166 | 68.5 Ų | 68.5 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 147.9 | 170 | -61.9 | -176.3 | 179.3 | -169.1 | -0 | 109.6 | D33 T78 E79 I82 | D33-R76 VanDerWaalsContact O-CA 3.28Å; D33-R76 WeakPolarHBondContact O-CA 3.38Å; R76-T78 PolarHBondContact O-N 3.23Å; R76-E79 HydrophobicContact CB-CB 4.47Å; R76-E79 HydrophobicContact CB-CG 4.04Å; R76-E79 WeakPolarHBondContact CD-OE1 3.42Å; R76-E79 PolarHBondContact N-OE2 3.4Å; R76-E79 PolarHBondContact O-N 3.07Å; R76-I82 WeakPolarHBondContact O-CD1 3.13Å |
| 77 | V | 96.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.121 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.3 | -179.2 | -64 | 0 | 0 | 0 | 0 | 114.1 | I32 D33 F35 I82 Y94 | I32-V77 WeakPolarHBondContact O-CG2 3.42Å; D33-V77 PolarHBondContact O-N 3.16Å; D33-V77 VanDerWaalsContact O-N 3.15Å; F35-V77 HydrophobicContact CB-CG1 4.37Å; V77-I82 HydrophobicContact CB-CG2 4.49Å; V77-I82 WeakPolarHBondContact O-CB 3.45Å; V77-Y94 HydrophobicContact CB-CD1 3.75Å; V77-Y94 HydrophobicContact CB-CE1 3.44Å; V77-Y94 VanDerWaalsContact CB-CE1 3.44Å; V77-Y94 HydrophobicContact CG1-CD1 3.71Å; V77-Y94 HydrophobicContact CG1-CD2 4.21Å; V77-Y94 HydrophobicContact CG1-CE1 3.55Å; V77-Y94 HydrophobicContact CG1-CE2 4.05Å; V77-Y94 HydrophobicContact CG1-CG 4.04Å; V77-Y94 HydrophobicContact CG2-CE1 3.82Å |
| 78 | T | 96.4 | Very high | 95.7 | Very high | 123 Ų | 123 | 68.9 Ų | 68.9 | 76% | 0.755 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -3.1 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | R76 | R76-T78 PolarHBondContact O-N 3.23Š|
| 79 | E | 96.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 72.3 Ų | 72.3 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -109.1 | 171.3 | -174.7 | -68.1 | 170.8 | 179.9 | 0 | 0 | 111.3 | R76 G81 I82 | R76-E79 HydrophobicContact CB-CB 4.47Å; R76-E79 HydrophobicContact CB-CG 4.04Å; R76-E79 WeakPolarHBondContact CD-OE1 3.42Å; R76-E79 PolarHBondContact N-OE2 3.4Å; R76-E79 PolarHBondContact O-N 3.07Å; E79-G81 PolarHBondContact O-N 3.13Å; E79-I82 WeakPolarHBondContact O-CD1 3.5Å; E79-I82 WeakPolarHBondContact O-CG1 3.35Å; E79-I82 PolarHBondContact O-N 3.12Å |
| 80 | C | 96.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 69 Ų | 69 | 9% | 0.088 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 22.6 | 170.1 | -59.5 | 0 | 0 | 0 | 0 | 115.9 | L57 G58 L59 C61 Y75 I82 | L57-C80 HydrophobicContact CD2-CB 4.2Å; G58-C80 WeakPolarHBondContact CA-O 3.49Å; L59-C80 PolarHBondContact N-O 3.32Å; C61-C80 HydrophobicContact CB-CB 3.77Å; C61-C80 WeakPolarHBondContact CB-SG 3.37Å; C61-C80 WeakPolarHBondContact SG-CA 3.19Å; C61-C80 WeakPolarHBondContact SG-CB 3.47Å; C61-C80 CovalentContact SG-SG 2.02Å; C61-C80 PolarHBondContact SG-SG 3.26Å; Y75-C80 WeakPolarHBondContact CD1-SG 3.34Å; Y75-C80 VanDerWaalsContact CE1-SG 3.58Å; Y75-C80 HydrophobicContact CG-CB 4.4Å; C80-I82 VanDerWaalsContact C-N 3.28Å; C80-I82 PolarHBondContact O-N 2.76Å |
| 81 | G | 96.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 72.4 Ų | 72.4 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 24 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E79 R83 | E79-G81 PolarHBondContact O-N 3.13Å; G81-R83 PolarHBondContact O-N 3.34Å |
| 82 | I | 98.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | trans | -65.9 | 121.4 | 173.2 | -64.5 | 156.8 | 0 | 0 | 0 | 108.9 | F35 L57 R76 V77 E79 C80 Y94 T96 | F35-I82 HydrophobicContact CB-CD1 3.67Å; F35-I82 HydrophobicContact CB-CG1 4.49Å; F35-I82 HydrophobicContact CD1-CD1 4.37Å; F35-I82 HydrophobicContact CD2-CG2 4.42Å; F35-I82 HydrophobicContact CG-CD1 4.18Å; F35-I82 HydrophobicContact CG-CG2 4.49Å; L57-I82 HydrophobicContact CD2-CD1 4.44Å; R76-I82 WeakPolarHBondContact O-CD1 3.13Å; V77-I82 HydrophobicContact CB-CG2 4.49Å; V77-I82 WeakPolarHBondContact O-CB 3.45Å; E79-I82 WeakPolarHBondContact O-CD1 3.5Å; E79-I82 WeakPolarHBondContact O-CG1 3.35Å; E79-I82 PolarHBondContact O-N 3.12Å; C80-I82 VanDerWaalsContact C-N 3.28Å; C80-I82 PolarHBondContact O-N 2.76Å; I82-Y94 HydrophobicContact CG2-CD1 4.08Å; I82-Y94 HydrophobicContact CG2-CG 4.5Å; I82-T96 HydrophobicContact CG1-CG2 4.09Å | ||
| 83 | R | 97.8 | Very high | 95.5 | Very high | 132 Ų | 132 | 73 Ų | 73 | 50% | 0.498 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.4 | -178.8 | -58 | 177.9 | -68.8 | -130.6 | -3.4 | 109.2 | G81 Y94 S95 E97 | G81-R83 PolarHBondContact O-N 3.34Å; R83-Y94 CarbonylContact O-C 3.5Å; R83-Y94 WeakPolarHBondContact O-CA 3.28Å; R83-S95 PolarHBondContact N-O 3.43Å; R83-S95 PolarHBondContact O-N 2.78Å; R83-E97 IonicContact CZ-OE1 3.41Å; R83-E97 IonicContact NH1-OE1 3.05Å; R83-E97 PolarHBondContact NH1-OE1 2.93Å; R83-E97 IonicContact NH2-OE1 2.82Å; R83-E97 PolarHBondContact NH2-OE1 2.83Å |
| 84 | V | 96.4 | Very high | 95.5 | Very high | 89 Ų | 89 | 73.8 Ų | 73.8 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.5 | 175.7 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | V92 I93 Y94 | V84-V92 HydrophobicContact CG2-CB 4.04Å; V84-V92 HydrophobicContact CG2-CG1 4.24Å; V84-I93 CarbonylContact C-O 3.48Å; V84-I93 WeakPolarHBondContact CA-O 3.42Å; V84-Y94 HydrophobicContact CB-CD1 3.81Å; V84-Y94 HydrophobicContact CB-CE1 3.68Å; V84-Y94 HydrophobicContact CG2-CD1 3.84Å; V84-Y94 HydrophobicContact CG2-CE1 3.42Å; V84-Y94 VanDerWaalsContact CG2-CE1 3.42Å |
| 85 | K | 96.1 | Very high | 95.5 | Very high | 151 Ų | 151 | 73.2 Ų | 73.2 | 66% | 0.657 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 120.8 | 172.9 | -174.8 | 177.2 | 180 | -179.8 | 0 | 109.9 | V87 V92 I93 | K85-V87 PolarHBondContact O-N 2.91Å; K85-V92 WeakPolarHBondContact O-CA 3.18Å; K85-I93 PolarHBondContact N-O 2.91Å; K85-I93 PolarHBondContact O-N 3.24Å |
| 86 | A | 93.5 | Very high | 95.5 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 60% | 0.595 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V92 | A86-V92 HydrophobicContact CB-CG1 4.41Å |
| 87 | V | 92.9 | Very high | 95.5 | Very high | 92 Ų | 92 | 66.1 Ų | 66.1 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | trans | -104.7 | -31.1 | 178 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | K85 M91 I93 | K85-V87 PolarHBondContact O-N 2.91Å; V87-M91 PolarHBondContact N-O 2.99Å; V87-I93 HydrophobicContact CG2-CB 4.15Å; V87-I93 HydrophobicContact CG2-CD1 3.51Å; V87-I93 HydrophobicContact CG2-CG1 3.56Å | ||
| 88 | S | 90.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 65.2 Ų | 65.2 | 43% | 0.427 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -146.6 | 180 | 171.5 | 75.5 | 0 | 0 | 0 | 0 | 110.1 | D90 M91 | S88-D90 PolarHBondContact O-N 2.81Å; S88-D90 PolarHBondContact OG-N 2.84Å; S88-M91 PolarHBondContact N-O 2.84Å; S88-M91 WeakPolarHBondContact OG-CB 3.45Å; S88-M91 PolarHBondContact OG-N 3.22Å |
| 89 | Q | 87.4 | Confident | 95.6 | Very high | 181 Ų | 181 | 61.9 Ų | 61.9 | 85% | 0.846 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -59.8 | -24.7 | 177.9 | -70.3 | 179 | -13.5 | 0 | 0 | 113.6 | ||
| 90 | D | 89.9 | Confident | 95.5 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 35% | 0.353 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -121.7 | -0.2 | -173.4 | -68.6 | -42 | 0 | 0 | 0 | 113.5 | S88 P118 L119 K120 | S88-D90 PolarHBondContact O-N 2.81Å; S88-D90 PolarHBondContact OG-N 2.84Å; D90-P118 CarbonylContact O-C 3.6Å; D90-P118 WeakPolarHBondContact O-CA 3.36Å; D90-L119 PolarHBondContact O-N 3.4Å; D90-K120 WeakPolarHBondContact OD1-CE 3.43Å; D90-K120 IonicContact OD1-NZ 2.65Å; D90-K120 PolarHBondContact OD1-NZ 3.24Å |
| 91 | M | 93.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.2 | -176.8 | -66.2 | -70.8 | -179.3 | 0 | 0 | 112 | V87 S88 P118 | V87-M91 PolarHBondContact N-O 2.99Å; S88-M91 PolarHBondContact N-O 2.84Å; S88-M91 WeakPolarHBondContact OG-CB 3.45Å; S88-M91 PolarHBondContact OG-N 3.22Å; M91-P118 HydrophobicContact CE-CB 4.19Å; M91-P118 HydrophobicContact SD-CB 4Å |
| 92 | V | 96.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.6 | 173.4 | -70.6 | 0 | 0 | 0 | 0 | 110 | V84 K85 A86 Y94 A116 A117 L119 | V84-V92 HydrophobicContact CG2-CB 4.04Å; V84-V92 HydrophobicContact CG2-CG1 4.24Å; K85-V92 WeakPolarHBondContact O-CA 3.18Å; A86-V92 HydrophobicContact CB-CG1 4.41Å; V92-Y94 HydrophobicContact CG2-CD2 4.33Å; V92-Y94 HydrophobicContact CG2-CE2 3.55Å; V92-A116 CarbonylContact O-C 3.5Å; V92-A116 VanDerWaalsContact O-CA 3.28Å; V92-A116 WeakPolarHBondContact O-CA 3.2Å; V92-A117 WeakPolarHBondContact CG2-O 3.44Å; V92-A117 PolarHBondContact N-O 2.83Å; V92-A117 PolarHBondContact O-N 2.97Å; V92-L119 HydrophobicContact CG1-CD1 3.64Å; V92-L119 HydrophobicContact CG1-CD2 4.14Å; V92-L119 HydrophobicContact CG1-CG 3.7Å; V92-L119 HydrophobicContact CG2-CG 4.42Å |
| 93 | I | 97.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 67.4 Ų | 67.4 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125 | 168.1 | -68.4 | -179.6 | 0 | 0 | 0 | 108.2 | V84 K85 V87 C115 A116 | V84-I93 CarbonylContact C-O 3.48Å; V84-I93 WeakPolarHBondContact CA-O 3.42Å; K85-I93 PolarHBondContact N-O 2.91Å; K85-I93 PolarHBondContact O-N 3.24Å; V87-I93 HydrophobicContact CG2-CB 4.15Å; V87-I93 HydrophobicContact CG2-CD1 3.51Å; V87-I93 HydrophobicContact CG2-CG1 3.56Å; I93-C115 WeakPolarHBondContact CA-O 3.27Å; I93-A116 HydrophobicContact CG1-CB 4.02Å |
| 94 | Y | 98.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138 | 165.9 | -63 | -74.4 | 0 | 0 | 0 | 109.2 | C30 S31 I32 F35 V77 I82 R83 V84 V92 S114 C115 A117 | C30-Y94 HydrophobicContact CB-CD2 4.19Å; S31-Y94 WeakPolarHBondContact O-CE2 3.38Å; I32-Y94 PolarHBondContact O-OH 3.05Å; F35-Y94 HydrophobicContact CD2-CG 4.43Å; V77-Y94 HydrophobicContact CB-CD1 3.75Å; V77-Y94 HydrophobicContact CB-CE1 3.44Å; V77-Y94 VanDerWaalsContact CB-CE1 3.44Å; V77-Y94 HydrophobicContact CG1-CD1 3.71Å; V77-Y94 HydrophobicContact CG1-CD2 4.21Å; V77-Y94 HydrophobicContact CG1-CE1 3.55Å; V77-Y94 HydrophobicContact CG1-CE2 4.05Å; V77-Y94 HydrophobicContact CG1-CG 4.04Å; V77-Y94 HydrophobicContact CG2-CE1 3.82Å; I82-Y94 HydrophobicContact CG2-CD1 4.08Å; I82-Y94 HydrophobicContact CG2-CG 4.5Å; R83-Y94 CarbonylContact O-C 3.5Å; R83-Y94 WeakPolarHBondContact O-CA 3.28Å; V84-Y94 HydrophobicContact CB-CD1 3.81Å; V84-Y94 HydrophobicContact CB-CE1 3.68Å; V84-Y94 HydrophobicContact CG2-CD1 3.84Å; V84-Y94 HydrophobicContact CG2-CE1 3.42Å; V84-Y94 VanDerWaalsContact CG2-CE1 3.42Å; V92-Y94 HydrophobicContact CG2-CD2 4.33Å; V92-Y94 HydrophobicContact CG2-CE2 3.55Å; Y94-S114 CarbonylContact O-C 3.52Å; Y94-S114 WeakPolarHBondContact O-CA 3.38Å; Y94-S114 WeakPolarHBondContact O-CB 3.27Å; Y94-C115 PolarHBondContact N-O 3.41Å; Y94-C115 PolarHBondContact O-N 2.82Å; Y94-A117 HydrophobicContact CD2-CB 4.47Å; Y94-A117 HydrophobicContact CE2-CB 4.17Å |
| 95 | S | 98 | Very high | 93.4 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 141.9 | -179.5 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | R83 V113 | R83-S95 PolarHBondContact N-O 3.43Å; R83-S95 PolarHBondContact O-N 2.78Å; S95-V113 CarbonylContact C-O 3.57Å; S95-V113 VanDerWaalsContact CA-O 3.3Å; S95-V113 WeakPolarHBondContact CA-O 3.41Å |
| 96 | T | 98.1 | Very high | 93 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | -169 | 174.3 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | F35 L57 I82 V113 | F35-T96 HydrophobicContact CD1-CG2 4.15Å; F35-T96 HydrophobicContact CE1-CG2 3.58Å; F35-T96 HydrophobicContact CZ-CG2 4.07Å; L57-T96 HydrophobicContact CD1-CG2 3.54Å; L57-T96 HydrophobicContact CD2-CG2 4.32Å; L57-T96 HydrophobicContact CG-CG2 3.96Å; I82-T96 HydrophobicContact CG1-CG2 4.09Å; T96-V113 HydrophobicContact CG2-CG2 3.58Å; T96-V113 PolarHBondContact N-O 2.91Å; T96-V113 WeakPolarHBondContact O-CG2 3.36Å; T96-V113 PolarHBondContact O-N 2.84Å |
| 97 | E | 98.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.5 | -174.4 | -73.8 | 154.6 | -141.7 | 0 | 0 | 109.8 | G58 R83 H99 V110 I111 | G58-E97 PolarHBondContact N-O 3.25Å; R83-E97 IonicContact CZ-OE1 3.41Å; R83-E97 IonicContact NH1-OE1 3.05Å; R83-E97 PolarHBondContact NH1-OE1 2.93Å; R83-E97 IonicContact NH2-OE1 2.82Å; R83-E97 PolarHBondContact NH2-OE1 2.83Å; E97-H99 WeakPolarHBondContact CB-NE2 3.41Å; E97-H99 IonicContact OE2-CE1 3.73Å; E97-H99 IonicContact OE2-NE2 3.76Å; E97-V110 HydrophobicContact CB-CG1 3.77Å; E97-V110 HydrophobicContact CG-CG1 3.79Å; E97-V110 WeakPolarHBondContact OE2-CG1 3.35Å; E97-I111 CarbonylContact C-O 3.55Å; E97-I111 WeakPolarHBondContact CA-O 3.47Å |
| 98 | I | 97.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.2 | 164.4 | -67.4 | -72.9 | 0 | 0 | 0 | 107.4 | V37 V39 L55 L57 F73 V110 I111 V113 | V37-I98 HydrophobicContact CB-CD1 4.41Å; V37-I98 HydrophobicContact CG1-CD1 4.1Å; V37-I98 HydrophobicContact CG1-CG1 4.2Å; V39-I98 HydrophobicContact CG2-CD1 4.44Å; L55-I98 HydrophobicContact CD2-CG2 3.98Å; L57-I98 HydrophobicContact CB-CD1 4.36Å; L57-I98 HydrophobicContact CD1-CD1 3.41Å; L57-I98 VanDerWaalsContact CD1-CD1 3.41Å; L57-I98 HydrophobicContact CD1-CG1 4.16Å; F73-I98 HydrophobicContact CD2-CD1 4.15Å; F73-I98 HydrophobicContact CE2-CD1 4.2Å; F73-I98 HydrophobicContact CG-CD1 4.46Å; I98-V110 CarbonylContact O-C 3.51Å; I98-V110 WeakPolarHBondContact O-CA 3.26Å; I98-I111 HydrophobicContact CB-CB 4.28Å; I98-I111 PolarHBondContact N-O 2.82Å; I98-I111 PolarHBondContact O-N 2.87Å; I98-V113 HydrophobicContact CG1-CG1 4.22Å; I98-V113 HydrophobicContact CG1-CG2 4.41Å |
| 99 | H | 96.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.4 | 177.3 | -63.5 | -96.3 | 0 | 0 | 0 | 109 | L55 H56 G58 E97 | L55-H99 WeakPolarHBondContact CA-O 3.36Å; H56-H99 PolarHBondContact N-O 2.76Å; H56-H99 PolarHBondContact O-N 3.16Å; G58-H99 PolarHBondContact O-CD2 3.44Å; G58-H99 PolarHBondContact O-NE2 3Å; E97-H99 WeakPolarHBondContact CB-NE2 3.41Å; E97-H99 IonicContact OE2-CE1 3.73Å; E97-H99 IonicContact OE2-NE2 3.76Å |
| 100 | Y | 95.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.1 | 166.6 | 168.3 | -95.4 | 0 | 0 | 0 | 109.6 | L44 V50 E54 L55 S102 K108 F109 | L44-Y100 HydrophobicContact CD1-CD1 3.95Å; L44-Y100 HydrophobicContact CD1-CD2 4.03Å; L44-Y100 HydrophobicContact CD1-CE1 3.79Å; L44-Y100 HydrophobicContact CD1-CE2 3.91Å; L44-Y100 HydrophobicContact CD1-CG 4.01Å; V50-Y100 HydrophobicContact CB-CE2 4.4Å; V50-Y100 HydrophobicContact CG1-CD2 3.67Å; V50-Y100 HydrophobicContact CG1-CE2 3.71Å; V50-Y100 HydrophobicContact CG2-CD2 4.27Å; V50-Y100 HydrophobicContact CG2-CE2 3.95Å; E54-Y100 HydrophobicContact CB-CD2 4.05Å; E54-Y100 HydrophobicContact CB-CE2 3.96Å; E54-Y100 CarbonylContact O-C 3.58Å; E54-Y100 VanDerWaalsContact O-CA 3.28Å; E54-Y100 WeakPolarHBondContact O-CA 3.41Å; L55-Y100 HydrophobicContact CD2-CD2 4.09Å; Y100-S102 WeakPolarHBondContact OH-CB 3.37Å; Y100-K108 VanDerWaalsContact O-CA 3.26Å; Y100-K108 WeakPolarHBondContact O-CA 3.37Å; Y100-F109 HydrophobicContact CD1-CB 4.38Å; Y100-F109 AromaticContact CD1-CD2 3.33Å; Y100-F109 HydrophobicContact CD1-CD2 3.33Å; Y100-F109 AromaticContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CG 4.27Å; Y100-F109 AromaticContact CE1-CD2 3.74Å; Y100-F109 HydrophobicContact CE1-CD2 3.74Å; Y100-F109 AromaticContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CG-CD2 4.22Å; Y100-F109 PolarHBondContact N-O 2.96Å; Y100-F109 PolarHBondContact O-N 2.94Å |
| 101 | S | 94 | Very high | 93.4 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 113.8 | 170.2 | -68.7 | 0 | 0 | 0 | 0 | 109.3 | E54 | E54-S101 WeakPolarHBondContact CB-O 3.2Å; E54-S101 PolarHBondContact O-N 2.88Å |
| 102 | S | 91.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | trans | -64.8 | 143.9 | 178.2 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | E54 Y100 G104 T105 S107 | E54-S102 WeakPolarHBondContact OE1-CA 3.23Å; Y100-S102 WeakPolarHBondContact OH-CB 3.37Å; S102-G104 PolarHBondContact OG-N 3.23Å; S102-T105 WeakPolarHBondContact CB-OG1 3.35Å; S102-T105 PolarHBondContact OG-OG1 2.9Å; S102-S107 PolarHBondContact N-O 3.01Å; S102-S107 VanDerWaalsContact N-O 3.12Å | ||
| 103 | K | 86.6 | Confident | 93.6 | Very high | 163 Ų | 163 | 61 Ų | 61 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -74.4 | -27.2 | 172.9 | -67.8 | -64.2 | -179.5 | -178.1 | 0 | 113.7 | E54 | E54-K103 HydrophobicContact CG-CG 3.97Å; E54-K103 PolarHBondContact OE1-N 2.68Å |
| 104 | G | 83.7 | Confident | 93.6 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 76% | 0.763 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -111.2 | -11.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S102 | S102-G104 PolarHBondContact OG-N 3.23Š|
| 105 | T | 85.6 | Confident | 93.5 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -131.7 | 157.8 | -178.2 | 73.2 | 0 | 0 | 0 | 0 | 110.6 | S102 S107 | S102-T105 WeakPolarHBondContact CB-OG1 3.35Å; S102-T105 PolarHBondContact OG-OG1 2.9Å; T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 VanDerWaalsContact OG1-CB 3.23Å; T105-S107 WeakPolarHBondContact OG1-CB 2.91Å; T105-S107 PolarHBondContact OG1-N 2.91Å; T105-S107 PolarHBondContact OG1-OG 3.01Å |
| 106 | P | 88.1 | Confident | 93.4 | Very high | 129 Ų | 129 | 63.5 Ų | 63.5 | 84% | 0.838 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -71.2 | 8.5 | 173 | 30.7 | -36.2 | 0 | 0 | 0 | 113.2 | K108 | P106-K108 PolarHBondContact O-N 3Š|
| 107 | S | 87.4 | Confident | 93.3 | Very high | 51 Ų | 51 | 63.5 Ų | 63.5 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | trans | -68.7 | 123.2 | -178 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | S102 T105 | S102-S107 PolarHBondContact N-O 3.01Å; S102-S107 VanDerWaalsContact N-O 3.12Å; T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 VanDerWaalsContact OG1-CB 3.23Å; T105-S107 WeakPolarHBondContact OG1-CB 2.91Å; T105-S107 PolarHBondContact OG1-N 2.91Å; T105-S107 PolarHBondContact OG1-OG 3.01Å | ||
| 108 | K | 92.9 | Very high | 93 | Very high | 157 Ų | 157 | 63.4 Ų | 63.4 | 68% | 0.683 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.2 | 174.6 | -62.1 | -178.3 | -179 | 178.5 | 0 | 109.5 | Y100 P106 | Y100-K108 VanDerWaalsContact O-CA 3.26Å; Y100-K108 WeakPolarHBondContact O-CA 3.37Å; P106-K108 PolarHBondContact O-N 3Å |
| 109 | F | 91.9 | Very high | 92.5 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.4 | 175.9 | -58.1 | -70.9 | 0 | 0 | 0 | 110 | L44 Y100 | L44-F109 HydrophobicContact CD1-CD2 3.91Å; L44-F109 HydrophobicContact CD1-CE2 4.08Å; L44-F109 HydrophobicContact CD2-CD2 3.97Å; L44-F109 HydrophobicContact CD2-CE2 4.49Å; L44-F109 HydrophobicContact CD2-CG 4.47Å; Y100-F109 HydrophobicContact CD1-CB 4.38Å; Y100-F109 AromaticContact CD1-CD2 3.33Å; Y100-F109 HydrophobicContact CD1-CD2 3.33Å; Y100-F109 AromaticContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CG 4.27Å; Y100-F109 AromaticContact CE1-CD2 3.74Å; Y100-F109 HydrophobicContact CE1-CD2 3.74Å; Y100-F109 AromaticContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CG-CD2 4.22Å; Y100-F109 PolarHBondContact N-O 2.96Å; Y100-F109 PolarHBondContact O-N 2.94Å |
| 110 | V | 95.4 | Very high | 91.7 | Very high | 80 Ų | 80 | 69.6 Ų | 69.6 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.2 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | E97 I98 | E97-V110 HydrophobicContact CB-CG1 3.77Å; E97-V110 HydrophobicContact CG-CG1 3.79Å; E97-V110 WeakPolarHBondContact OE2-CG1 3.35Å; I98-V110 CarbonylContact O-C 3.51Å; I98-V110 WeakPolarHBondContact O-CA 3.26Å |
| 111 | I | 95.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 109.3 | -176.2 | -57.5 | 166.4 | 0 | 0 | 0 | 107.6 | M26 M43 E97 I98 | M26-I111 HydrophobicContact CE-CG2 3.85Å; M26-I111 HydrophobicContact SD-CG2 3.85Å; M43-I111 HydrophobicContact CE-CD1 3.49Å; M43-I111 VanDerWaalsContact CE-CD1 3.49Å; M43-I111 HydrophobicContact SD-CD1 4.19Å; E97-I111 CarbonylContact C-O 3.55Å; E97-I111 WeakPolarHBondContact CA-O 3.47Å; I98-I111 HydrophobicContact CB-CB 4.28Å; I98-I111 PolarHBondContact N-O 2.82Å; I98-I111 PolarHBondContact O-N 2.87Å |
| 112 | P | 96.9 | Very high | 89.3 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 65% | 0.649 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136 | 177.3 | 28.9 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 113 | V | 96.9 | Very high | 88 | Confident | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.024 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.2 | 176.7 | -69 | 0 | 0 | 0 | 0 | 109.6 | M26 V28 F35 V37 L57 S95 T96 I98 | M26-V113 HydrophobicContact CE-CG1 3.95Å; M26-V113 HydrophobicContact SD-CG1 3.74Å; V28-V113 HydrophobicContact CG2-CB 3.94Å; V28-V113 HydrophobicContact CG2-CG1 3.98Å; F35-V113 HydrophobicContact CE1-CG2 3.99Å; F35-V113 HydrophobicContact CZ-CB 4.48Å; F35-V113 HydrophobicContact CZ-CG2 4.1Å; V37-V113 HydrophobicContact CG2-CG2 4.1Å; L57-V113 HydrophobicContact CD1-CG2 4.48Å; S95-V113 CarbonylContact C-O 3.57Å; S95-V113 VanDerWaalsContact CA-O 3.3Å; S95-V113 WeakPolarHBondContact CA-O 3.41Å; T96-V113 HydrophobicContact CG2-CG2 3.58Å; T96-V113 PolarHBondContact N-O 2.91Å; T96-V113 WeakPolarHBondContact O-CG2 3.36Å; T96-V113 PolarHBondContact O-N 2.84Å; I98-V113 HydrophobicContact CG1-CG1 4.22Å; I98-V113 HydrophobicContact CG1-CG2 4.41Å |
| 114 | S | 97.4 | Very high | 87 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 152.6 | 178.8 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | Y94 | Y94-S114 CarbonylContact O-C 3.52Å; Y94-S114 WeakPolarHBondContact O-CA 3.38Å; Y94-S114 WeakPolarHBondContact O-CB 3.27Å |
| 115 | C | 96.8 | Very high | 85.9 | Confident | 21 Ų | 21 | 81.3 Ų | 81.3 | 14% | 0.142 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 146.3 | 174.4 | 164.3 | 0 | 0 | 0 | 0 | 109.7 | V28 C30 F35 I93 Y94 | V28-C115 HydrophobicContact CG1-CB 3.8Å; C30-C115 HydrophobicContact CB-CB 3.66Å; C30-C115 WeakPolarHBondContact CB-SG 3.45Å; C30-C115 PolarHBondContact N-SG 3.46Å; C30-C115 WeakPolarHBondContact SG-CB 3.22Å; C30-C115 CovalentContact SG-SG 2.03Å; C30-C115 PolarHBondContact SG-SG 2.83Å; F35-C115 HydrophobicContact CE2-CB 4.09Å; I93-C115 WeakPolarHBondContact CA-O 3.27Å; Y94-C115 PolarHBondContact N-O 3.41Å; Y94-C115 PolarHBondContact O-N 2.82Å |
| 116 | A | 95.8 | Very high | 84.9 | Confident | 65 Ų | 65 | 85.2 Ų | 85.2 | 54% | 0.537 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | C30 V92 I93 | C30-A116 VanDerWaalsContact SG-C 3.6Å; V92-A116 CarbonylContact O-C 3.5Å; V92-A116 VanDerWaalsContact O-CA 3.28Å; V92-A116 WeakPolarHBondContact O-CA 3.2Å; I93-A116 HydrophobicContact CG1-CB 4.02Å |
| 117 | A | 94.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 84.3 Ų | 84.3 | 2% | 0.017 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V92 Y94 | V92-A117 WeakPolarHBondContact CG2-O 3.44Å; V92-A117 PolarHBondContact N-O 2.83Å; V92-A117 PolarHBondContact O-N 2.97Å; Y94-A117 HydrophobicContact CD2-CB 4.47Å; Y94-A117 HydrophobicContact CE2-CB 4.17Å |
| 118 | P | 92.4 | Very high | 82.7 | Confident | 54 Ų | 54 | 85.8 Ų | 85.8 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138.1 | 171.8 | 30.1 | -33.5 | 0 | 0 | 0 | 110.6 | I32 D90 M91 K120 | I32-P118 WeakPolarHBondContact CG2-O 3.48Å; D90-P118 CarbonylContact O-C 3.6Å; D90-P118 WeakPolarHBondContact O-CA 3.36Å; M91-P118 HydrophobicContact CE-CB 4.19Å; M91-P118 HydrophobicContact SD-CB 4Å; P118-K120 PolarHBondContact O-N 3.35Å |
| 119 | L | 86.4 | Confident | 81.3 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -65.5 | -27.6 | 174.9 | -93.9 | 148.1 | 0 | 0 | 0 | 112.6 | D90 V92 | D90-L119 PolarHBondContact O-N 3.4Å; V92-L119 HydrophobicContact CG1-CD1 3.64Å; V92-L119 HydrophobicContact CG1-CD2 4.14Å; V92-L119 HydrophobicContact CG1-CG 3.7Å; V92-L119 HydrophobicContact CG2-CG 4.42Å |
| 120 | K | 82 | Confident | 79.3 | Confident | 103 Ų | 103 | 86 Ų | 86 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -106.3 | 130.8 | 179.7 | -66.3 | 170.4 | -176.2 | 148.4 | 0 | 108.4 | D90 P118 P122 | D90-K120 WeakPolarHBondContact OD1-CE 3.43Å; D90-K120 IonicContact OD1-NZ 2.65Å; D90-K120 PolarHBondContact OD1-NZ 3.24Å; P118-K120 PolarHBondContact O-N 3.35Å; K120-P122 WeakPolarHBondContact O-CD 3.25Å |
| 121 | S | 69.9 | Low | 77.4 | Confident | 39 Ų | 39 | 87.9 Ų | 87.9 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | trans | -63.9 | 127.2 | 170.1 | 174.6 | 0 | 0 | 0 | 0 | 108.8 | W123 L124 | S121-W123 PolarHBondContact O-N 3.16Å; S121-W123 PolarHBondContact OG-N 3.49Å; S121-W123 VanDerWaalsContact OG-N 3.16Å; S121-L124 PolarHBondContact O-N 3.29Å; S121-L124 VanDerWaalsContact O-N 3.16Å | ||
| 122 | P | 67 | Low | 75.1 | Confident | 111 Ų | 111 | 92.2 Ų | 92.2 | 72% | 0.721 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -21.3 | 170.8 | -23.3 | 33.5 | 0 | 0 | 0 | 112.7 | K120 | K120-P122 WeakPolarHBondContact O-CD 3.25Š|
| 123 | W | 65.7 | Low | 72.6 | Confident | 224 Ų | 224 | 91.7 Ų | 91.7 | 85% | 0.848 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -15.9 | -176.4 | -51.2 | 105.6 | 0 | 0 | 0 | 113.7 | S121 | S121-W123 PolarHBondContact O-N 3.16Å; S121-W123 PolarHBondContact OG-N 3.49Å; S121-W123 VanDerWaalsContact OG-N 3.16Å |
| 124 | L | 63.8 | Low | 70.3 | Confident | 127 Ų | 127 | 96.4 Ų | 96.4 | 67% | 0.665 | 56% | 0.563 | S | S | * | * | trans | -104.5 | 97.5 | 179.7 | -62.3 | 173.6 | 0 | 0 | 0 | 109.2 | S121 | S121-L124 PolarHBondContact O-N 3.29Å; S121-L124 VanDerWaalsContact O-N 3.16Å | ||
| 125 | T | 62.4 | Low | 68.1 | Low | 74 Ų | 74 | 102.3 Ų | 102.3 | 45% | 0.454 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 140.6 | 170.9 | -19.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 126 | K | 64.2 | Low | 65.5 | Low | 151 Ų | 151 | 106.3 Ų | 106.3 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -58 | 130.8 | 176.6 | -70.1 | -178.9 | -177.8 | 173.4 | 0 | 109.2 | C128 | K126-C128 PolarHBondContact O-N 3.19Š|
| 127 | P | 59.5 | Low | 63 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 71% | 0.714 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132.5 | 171.8 | 23.6 | -29.9 | 0 | 0 | 0 | 109.1 | S129 | P127-S129 PolarHBondContact O-N 3.33Š|
| 128 | C | 69.1 | Low | 60.2 | Low | 83 Ų | 83 | 119.4 Ų | 119.4 | 56% | 0.561 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126.2 | 174.3 | -88.2 | 0 | 0 | 0 | 0 | 109.9 | K126 M130 C146 | K126-C128 PolarHBondContact O-N 3.19Å; C128-M130 PolarHBondContact O-N 3.36Å; C128-M130 VanDerWaalsContact O-N 3.07Å; C128-C146 HydrophobicContact CB-CB 4.13Å; C128-C146 WeakPolarHBondContact CB-SG 3.34Å; C128-C146 PolarHBondContact N-SG 3.4Å; C128-C146 WeakPolarHBondContact SG-CB 3.44Å; C128-C146 CovalentContact SG-SG 2.01Å; C128-C146 PolarHBondContact SG-SG 3.03Å |
| 129 | S | 63.7 | Low | 58 | Low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -65 | 108.5 | 165.5 | 55.9 | 0 | 0 | 0 | 0 | 108.1 | P127 T131 | P127-S129 PolarHBondContact O-N 3.33Å; S129-T131 VanDerWaalsContact C-N 3.31Å; S129-T131 PolarHBondContact O-N 2.96Å | ||
| 130 | M | 50.4 | Low | 55.6 | Low | 152 Ų | 152 | 125.5 Ų | 125.5 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | -68.4 | 95.7 | 165.8 | -83.2 | -171.7 | 172.1 | 0 | 0 | 107.7 | C128 V132 | C128-M130 PolarHBondContact O-N 3.36Å; C128-M130 VanDerWaalsContact O-N 3.07Å; M130-V132 PolarHBondContact O-N 3.32Å; M130-V132 VanDerWaalsContact O-N 3.15Å | ||
| 131 | T | 54.6 | Low | 54.2 | Low | 121 Ų | 121 | 129.7 Ų | 129.7 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | -66.6 | 108.6 | 157 | -52.2 | 0 | 0 | 0 | 0 | 105.6 | S129 A133 | S129-T131 VanDerWaalsContact C-N 3.31Å; S129-T131 PolarHBondContact O-N 2.96Å; T131-A133 PolarHBondContact O-N 3.41Å | ||
| 132 | V | 46.9 | Very low | 52.7 | Low | 133 Ų | 133 | 137.5 Ų | 137.5 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -56.7 | 103.5 | 171.5 | 176.3 | 0 | 0 | 0 | 0 | 106.9 | M130 S134 | M130-V132 PolarHBondContact O-N 3.32Å; M130-V132 VanDerWaalsContact O-N 3.15Å; V132-S134 PolarHBondContact O-N 3.36Å | ||
| 133 | A | 44.8 | Very low | 52.2 | Low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -69.9 | 96.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | T131 Q135 | T131-A133 PolarHBondContact O-N 3.41Å; A133-Q135 PolarHBondContact O-N 3.34Å | ||
| 134 | S | 49.4 | Very low | 51.5 | Low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -59.4 | 122.1 | 154.9 | 71.8 | 0 | 0 | 0 | 0 | 106.3 | V132 S136 | V132-S134 PolarHBondContact O-N 3.36Å; S134-S136 PolarHBondContact O-N 3.36Å | ||
| 135 | Q | 50.2 | Low | 50.7 | Low | 199 Ų | 199 | 140.3 Ų | 140.3 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -34 | 105.7 | -175.7 | -74.5 | 175.2 | -0.5 | 0 | 0 | 113.4 | A133 | A133-Q135 PolarHBondContact O-N 3.34Š|
| 136 | S | 42.8 | Very low | 49.9 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -160.1 | 112.2 | 158.1 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | S134 A138 | S134-S136 PolarHBondContact O-N 3.36Å; S136-A138 PolarHBondContact O-N 2.99Å; S136-A138 VanDerWaalsContact O-N 3.16Å | ||
| 137 | R | 42.8 | Very low | 49.4 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.94 | 76% | 0.761 | S | S | * | * | trans | -56.9 | 111.2 | 179.1 | 174.1 | -174 | -90.4 | 164.6 | -8.8 | 109.7 | ||||
| 138 | A | 36.8 | Very low | 48.8 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -143.6 | 127.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S136 | S136-A138 PolarHBondContact O-N 2.99Å; S136-A138 VanDerWaalsContact O-N 3.16Å | ||
| 139 | I | 45.5 | Very low | 47.7 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -69.9 | 130 | 176.3 | -66.8 | 160.9 | 0 | 0 | 0 | 108.6 | ||||
| 140 | A | 35.5 | Very low | 46.6 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -147 | 108.7 | 158 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 141 | Q | 53.5 | Low | 46.1 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -66.4 | 128.4 | 160.1 | -75.8 | 179.6 | -42 | 0 | 0 | 108.7 | ||||
| 142 | K | 38.1 | Very low | 45.4 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -160.8 | 124.8 | 134.3 | -157.9 | 167.2 | 179.4 | 178.6 | 0 | 110.4 | E144 | K142-E144 PolarHBondContact O-N 3.41Š| ||
| 143 | D | 57.4 | Low | 45 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -59.3 | 117.1 | 174 | -174.2 | 28.8 | 0 | 0 | 0 | 111.4 | ||||
| 144 | E | 50.4 | Low | 45.1 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -154.5 | 124.8 | 153.9 | -141.3 | 173.9 | 169.5 | 0 | 0 | 106.1 | K142 C146 | K142-E144 PolarHBondContact O-N 3.41Å; E144-C146 PolarHBondContact O-N 2.98Å | ||
| 145 | K | 47.6 | Very low | 44.5 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -63.5 | 82.9 | 180 | -88.5 | -175.2 | 175 | 177.9 | 0 | 110.5 | ||||
| 146 | C | 45.1 | Very low | 44.5 | Very low | 54 Ų | 54 | 144.8 Ų | 144.8 | 37% | 0.365 | 77% | 0.768 | S | S | . | * | P | Polyproline II helix | trans | -86.2 | 126.1 | 163.3 | -119.3 | 0 | 0 | 0 | 0 | 108.3 | C128 E144 | C128-C146 HydrophobicContact CB-CB 4.13Å; C128-C146 WeakPolarHBondContact CB-SG 3.34Å; C128-C146 PolarHBondContact N-SG 3.4Å; C128-C146 WeakPolarHBondContact SG-CB 3.44Å; C128-C146 CovalentContact SG-SG 2.01Å; C128-C146 PolarHBondContact SG-SG 3.03Å; E144-C146 PolarHBondContact O-N 2.98Å |
| 147 | Y | 53.6 | Low | 44.6 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 56% | 0.561 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 142.1 | 166.6 | 60.6 | -87.3 | 0 | 0 | 0 | 108.6 | V149 | Y147-V149 HydrophobicContact CE2-CG2 4.34Å; Y147-V149 PolarHBondContact O-N 2.92Å |
| 148 | E | 47.6 | Very low | 44.5 | Very low | 144 Ų | 144 | 147 Ų | 147 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 124.5 | 172.4 | -73.7 | -154.3 | 153.3 | 0 | 0 | 109.6 | F150 | E148-F150 PolarHBondContact O-N 3.41Š|
| 149 | V | 45.3 | Very low | 44.7 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 62% | 0.618 | 76% | 0.761 | S | S | * | * | trans | -71.9 | 111.6 | 162.2 | 175.9 | 0 | 0 | 0 | 0 | 105.4 | Y147 S151 | Y147-V149 HydrophobicContact CE2-CG2 4.34Å; Y147-V149 PolarHBondContact O-N 2.92Å; V149-S151 PolarHBondContact O-N 2.98Å | ||
| 150 | F | 39.6 | Very low | 45 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -50.6 | 118.2 | 169.8 | -69.3 | -79.3 | 0 | 0 | 0 | 107.6 | E148 L152 | E148-F150 PolarHBondContact O-N 3.41Å; F150-L152 PolarHBondContact O-N 3.26Å | ||
| 151 | S | 41.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -55.6 | 110.9 | 170.5 | -66.8 | 0 | 0 | 0 | 0 | 106.3 | V149 S153 | V149-S151 PolarHBondContact O-N 2.98Å; S151-S153 PolarHBondContact O-N 3.43Å | ||
| 152 | L | 38.9 | Very low | 45.2 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 74% | 0.739 | S | S | * | * | trans | -54.4 | 99.2 | 159.9 | -92.9 | 160.5 | 0 | 0 | 0 | 104.3 | F150 Q154 | F150-L152 PolarHBondContact O-N 3.26Å; L152-Q154 PolarHBondContact O-N 2.98Å | ||
| 153 | S | 39.4 | Very low | 45.6 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -53.5 | 118.9 | 172 | -56.1 | 0 | 0 | 0 | 0 | 103.8 | S151 S155 | S151-S153 PolarHBondContact O-N 3.43Å; S153-S155 PolarHBondContact O-N 3.08Å | ||
| 154 | Q | 46.6 | Very low | 45.5 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | trans | -55.9 | 94.6 | 164.5 | -87.7 | -179.2 | -5.4 | 0 | 0 | 105.3 | L152 S156 | L152-Q154 PolarHBondContact O-N 2.98Å; Q154-S156 PolarHBondContact O-N 3.37Å | ||
| 155 | S | 37.3 | Very low | 45.2 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | trans | -68 | 86.7 | 170.9 | -178.9 | 0 | 0 | 0 | 0 | 105.3 | S153 Q157 | S153-S155 PolarHBondContact O-N 3.08Å; S155-Q157 PolarHBondContact O-N 2.8Å; S155-Q157 VanDerWaalsContact O-N 3.17Å; S155-Q157 PolarHBondContact OG-O 2.92Å | ||
| 156 | S | 49 | Very low | 45 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -75 | 14.1 | 173.9 | 74.6 | 0 | 0 | 0 | 0 | 112.3 | Q154 | Q154-S156 PolarHBondContact O-N 3.37Š| ||
| 157 | Q | 45.8 | Very low | 44.6 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -117.7 | 101.4 | 167.2 | -88.6 | 162.6 | -21.8 | 0 | 0 | 108.6 | S155 P159 | S155-Q157 PolarHBondContact O-N 2.8Å; S155-Q157 VanDerWaalsContact O-N 3.17Å; S155-Q157 PolarHBondContact OG-O 2.92Å; Q157-P159 WeakPolarHBondContact O-CD 3.16Å |
| 158 | R | 40.6 | Very low | 44 | Very low | 242 Ų | 242 | 135.1 Ų | 135.1 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | trans | -50.1 | 116.3 | 159.2 | -84.2 | -178.3 | 170.4 | 111.9 | -2.9 | 107.8 | ||||
| 159 | P | 41.3 | Very low | 43.6 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | trans | -67.3 | 130.1 | 149 | -1 | 20.3 | 0 | 0 | 0 | 105.7 | Q157 C161 | Q157-P159 WeakPolarHBondContact O-CD 3.16Å; P159-C161 PolarHBondContact O-N 3.37Å | ||
| 160 | N | 50.4 | Low | 43.6 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | -63.7 | 88.7 | 169.2 | -172.8 | 56.8 | 0 | 0 | 0 | 107.9 | D162 | N160-D162 PolarHBondContact ND2-OD2 3.02Å; N160-D162 VanDerWaalsContact ND2-OD2 3.16Å | ||
| 161 | C | 45.1 | Very low | 43.4 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | trans | -91.3 | 100.3 | 169.2 | -62.8 | 0 | 0 | 0 | 0 | 106.6 | P159 C163 | P159-C161 PolarHBondContact O-N 3.37Å; C161-C163 PolarHBondContact O-N 3.44Å | ||
| 162 | D | 48.6 | Very low | 43.2 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -67.3 | 83.9 | 163.8 | -72.6 | -54.1 | 0 | 0 | 0 | 107.8 | N160 P164 | N160-D162 PolarHBondContact ND2-OD2 3.02Å; N160-D162 VanDerWaalsContact ND2-OD2 3.16Å; D162-P164 WeakPolarHBondContact O-CD 3.23Å | ||
| 163 | C | 45.7 | Very low | 42.9 | Very low | 105 Ų | 105 | 141 Ų | 141 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 119.9 | 166.9 | -68.2 | 0 | 0 | 0 | 0 | 107.5 | C161 | C161-C163 PolarHBondContact O-N 3.44Š|
| 164 | P | 57 | Low | 42.5 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 146.6 | 169.5 | 25.9 | -30.9 | 0 | 0 | 0 | 109.1 | D162 C166 | D162-P164 WeakPolarHBondContact O-CD 3.23Å; P164-C166 PolarHBondContact O-N 2.97Å |
| 165 | P | 44.1 | Very low | 41.9 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 136.8 | -178 | 26.9 | -32.3 | 0 | 0 | 0 | 109.7 | V167 | P165-V167 PolarHBondContact O-N 3.29Š|
| 166 | C | 42.4 | Very low | 41.5 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -62.4 | 106.8 | 172.5 | -48.6 | 0 | 0 | 0 | 0 | 108.4 | P164 F168 | P164-C166 PolarHBondContact O-N 2.97Å; C166-F168 PolarHBondContact O-N 3.39Å | ||
| 167 | V | 38 | Very low | 40.8 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -74.6 | 110.3 | 167.4 | -180 | 0 | 0 | 0 | 0 | 106.6 | P165 N169 | P165-V167 PolarHBondContact O-N 3.29Å; V167-N169 PolarHBondContact O-N 3.46Å | ||
| 168 | F | 41 | Very low | 40 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -69.1 | 106.7 | 163.4 | -87 | -94.4 | 0 | 0 | 0 | 107.1 | C166 E170 | C166-F168 PolarHBondContact O-N 3.39Å; F168-E170 PolarHBondContact O-N 2.94Å | ||
| 169 | N | 37.2 | Very low | 39.7 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | -77.2 | 105.5 | 164.8 | -69.4 | -32.7 | 0 | 0 | 0 | 107.4 | V167 E171 | V167-N169 PolarHBondContact O-N 3.46Å; N169-E171 HydrophobicContact CB-CG 4.48Å; N169-E171 PolarHBondContact O-N 3.03Å; N169-E171 VanDerWaalsContact O-N 3.11Å | ||
| 170 | E | 45.7 | Very low | 39.4 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -69.2 | 89.8 | 151.6 | -107.5 | 173 | 111.5 | 0 | 0 | 106.5 | F168 E172 | F168-E170 PolarHBondContact O-N 2.94Å; E170-E172 PolarHBondContact O-N 3.01Å | ||
| 171 | E | 35.9 | Very low | 38.5 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 99 | 161.2 | -83 | -176.1 | 150.8 | 0 | 0 | 108.1 | N169 H173 | N169-E171 HydrophobicContact CB-CG 4.48Å; N169-E171 PolarHBondContact O-N 3.03Å; N169-E171 VanDerWaalsContact O-N 3.11Å; E171-H173 PolarHBondContact O-N 3.25Å | ||
| 172 | E | 38 | Very low | 37.8 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -55.4 | 86.7 | 157.5 | -172.9 | -179.2 | 134 | 0 | 0 | 109 | E170 T174 | E170-E172 PolarHBondContact O-N 3.01Å; E172-T174 PolarHBondContact O-N 3.31Å | ||
| 173 | H | 32.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -89.2 | 89.7 | 166.3 | -122.6 | 94.2 | 0 | 0 | 0 | 109.3 | E171 | E171-H173 PolarHBondContact O-N 3.25Š| ||
| 174 | T | 30.7 | Very low | 36.2 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | trans | -20.5 | 128 | 151.6 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | E172 | E172-T174 PolarHBondContact O-N 3.31Š| ||
| 175 | Q | 33.6 | Very low | 34.9 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -52.6 | 132.3 | 169.4 | -67.2 | 164.9 | -79.6 | 0 | 0 | 111.2 | ||||
| 176 | D | 28.1 | Very low | 34.1 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -111.2 | 113.1 | 161.6 | -125.4 | -19.1 | 0 | 0 | 0 | 109.1 | ||||
| 177 | P | 34.2 | Very low | 33.5 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 66% | 0.656 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 134.2 | 175.9 | -11.4 | 27.1 | 0 | 0 | 0 | 111.7 | H179 | P177-H179 PolarHBondContact O-N 3.44Å; P177-H179 VanDerWaalsContact O-N 3.15Å |
| 178 | C | 29.9 | Very low | 33.4 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 119 | 168 | -80.4 | 0 | 0 | 0 | 0 | 111 | Q180 | C178-Q180 PolarHBondContact O-N 3.18Š|
| 179 | H | 33.8 | Very low | 32.8 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 123.8 | 173.2 | -65.6 | -74.6 | 0 | 0 | 0 | 113.4 | P177 | P177-H179 PolarHBondContact O-N 3.44Å; P177-H179 VanDerWaalsContact O-N 3.15Å |
| 180 | Q | 36 | Very low | 32.5 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 134.6 | 153.4 | -85.2 | -157.4 | -35.9 | 0 | 0 | 109.8 | C178 | C178-Q180 PolarHBondContact O-N 3.18Š|
| 181 | A | 31.4 | Very low | 32 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 129.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 182 | G | 30.3 | Very low | 31.8 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 150.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 183 | A | 29.2 | Very low | 31.4 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -134.6 | 133.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 184 | Q | 31.5 | Very low | 31.4 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -60.2 | 153.1 | -177.8 | -66.3 | 154.5 | -31.6 | 0 | 0 | 110.5 | ||||
| 185 | E | 28.5 | Very low | 31.5 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -177.9 | 153.9 | 69.7 | -150.5 | 174 | 137.4 | 0 | 0 | 111.4 | |||||
| 186 | A | 28.9 | Very low | 31.5 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | 76.9 | 102.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 187 | Q | 28.2 | Very low | 31.7 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -73.1 | 175.8 | 148.9 | -74.3 | 178.7 | -82.2 | 0 | 0 | 110.6 | ||||
| 188 | P | 36.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -139.7 | 162.5 | 12.8 | 27.1 | -2.2 | 0 | 0 | 0 | 116.5 | ||||
| 189 | L | 28.7 | Very low | 31.9 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | 161.6 | 124.5 | 123.7 | -105.6 | 92.4 | 0 | 0 | 0 | 110.8 | |||||
| 190 | Q | 30.9 | Very low | 31.7 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -84 | 158.4 | 154.6 | -129.6 | -168.7 | -10.6 | 0 | 0 | 108 | ||||
| 191 | P | 33.8 | Very low | 31.5 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | -147 | 163.8 | 73.9 | 36.6 | -16.3 | 0 | 0 | 0 | 116.6 | |||||
| 192 | S | 32.6 | Very low | 31.6 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 50% | 0.497 | 78% | 0.777 | S | S | . | * | trans | -0.9 | 141.1 | 153.4 | 56.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 193 | H | 30.5 | Very low | 31.8 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | -173.4 | 118 | 114.4 | -79.4 | -54.9 | 0 | 0 | 0 | 109.6 | |||||
| 194 | F | 32.3 | Very low | 32 | Very low | 212 Ų | 212 | 147.7 Ų | 147.7 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | -65.5 | 129 | 158.5 | -90.9 | -102.6 | 0 | 0 | 0 | 108.6 | ||||
| 195 | L | 33.1 | Very low | 32.1 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -139.8 | 111.3 | 153.6 | -88.9 | 174.2 | 0 | 0 | 0 | 109.2 | ||||
| 196 | D | 32.9 | Very low | 32.4 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -71.1 | 122.4 | 165.3 | -150.8 | -4.9 | 0 | 0 | 0 | 107.6 | ||||
| 197 | I | 31.5 | Very low | 32.9 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | -133.1 | 102.6 | 168.2 | -60.7 | -179.4 | 0 | 0 | 0 | 108 | E199 | I197-E199 HydrophobicContact CG2-CG 4.05Š| ||
| 198 | S | 33 | Very low | 33.4 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -79.1 | 121.1 | 164 | 159.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 199 | E | 35.1 | Very low | 33.6 | Very low | 148 Ų | 148 | 148 Ų | 148 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -138.2 | 89.4 | 161.7 | -67.1 | -174.4 | 132.6 | 0 | 0 | 107.5 | I197 | I197-E199 HydrophobicContact CG2-CG 4.05Š| ||
| 200 | D | 31.1 | Very low | 34.1 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | 20.3 | 102.7 | 108.1 | -167.4 | 29 | 0 | 0 | 0 | 115.1 | S202 | D200-S202 PolarHBondContact OD1-OG 3.38Š| |||
| 201 | W | 31.2 | Very low | 34.6 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -133.6 | 80.9 | 161.8 | -77.3 | 95.9 | 0 | 0 | 0 | 109.3 | L203 | W201-L203 HydrophobicContact CE3-CD1 4.06Å; W201-L203 HydrophobicContact CE3-CG 4.2Å; W201-L203 HydrophobicContact CZ3-CD1 4.37Å | ||
| 202 | S | 32.6 | Very low | 34.7 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -84.4 | 104.5 | 161.8 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | D200 | D200-S202 PolarHBondContact OD1-OG 3.38Š| ||
| 203 | L | 34.6 | Very low | 34.8 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | trans | -116.9 | 95.7 | 170.6 | -73.3 | 179.1 | 0 | 0 | 0 | 111.6 | W201 | W201-L203 HydrophobicContact CE3-CD1 4.06Å; W201-L203 HydrophobicContact CE3-CG 4.2Å; W201-L203 HydrophobicContact CZ3-CD1 4.37Å | ||
| 204 | H | 33.4 | Very low | 35 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | 11.3 | 108.5 | 138.2 | -143.6 | -32.7 | 0 | 0 | 0 | 116.8 | ||||
| 205 | V | 35.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -83.8 | 121.6 | 154.3 | 175.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 206 | D | 35 | Very low | 35.3 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -179.5 | 149.1 | 138 | -94.2 | -36.4 | 0 | 0 | 0 | 112.9 | ||||
| 207 | D | 37.5 | Very low | 35.4 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 70.1 | 109 | 167.3 | -86.2 | -21.9 | 0 | 0 | 0 | 121.1 | ||||
| 208 | M | 40.4 | Very low | 35.7 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | -166.4 | 102.3 | 106.1 | -97.7 | -170 | -66.1 | 0 | 0 | 111.1 | |||||
| 209 | I | 40.8 | Very low | 35.9 | Very low | 174 Ų | 174 | 150 Ų | 150 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | trans | -92.2 | 124.9 | 150.2 | -77.5 | 162.6 | 0 | 0 | 0 | 106.1 | ||||
| 210 | G | 38.6 | Very low | 35.9 | Very low | 75 Ų | 75 | 150.2 Ų | 150.2 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -165.1 | 90.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 211 | S | 41.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -31 | 127.9 | 166.7 | -169.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 212 | M | 35.6 | Very low | 36.8 | Very low | 259 Ų | 259 | 147.6 Ų | 147.6 | 100% | 1.276 | 83% | 0.83 | S | S | * | * | 177.6 | 0 | 120.9 | -94.8 | -175.9 | -172.2 | 0 | 0 | 110.4 |
Retrieved 212 of 212 residues in 462.7 ms
(Link to these results)