| 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 | 28.5 | Very low | 33.1 | Very low | 249 Ų | 249 | 150.2 Ų | 150.2 | 100% | 1.227 | 82% | 0.815 | S | S | * | * | 0 | 116.7 | 0 | -74.8 | 168.2 | 119.8 | 0 | 0 | 107.7 | |||||
| 2 | K | 26.1 | Very low | 34.8 | Very low | 205 Ų | 205 | 144.8 Ų | 144.8 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -66.1 | 131.8 | 168.2 | -76.6 | 177.7 | 174.2 | 178.3 | 0 | 107 | E4 | K2-E4 PolarHBondContact O-N 3.4Å; K2-E4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | S | 33 | Very low | 36.6 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -70.4 | 102.3 | -179.9 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | E | 31 | Very low | 38.3 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -73 | 139.4 | 159.3 | -71.7 | 177.8 | 166.6 | 0 | 0 | 108.4 | K2 | K2-E4 PolarHBondContact O-N 3.4Å; K2-E4 VanDerWaalsContact O-N 3.08Å | ||
| 5 | N | 31.5 | Very low | 40.1 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | 78.6 | 94.8 | 177.3 | -55.8 | -19 | 0 | 0 | 0 | 116.1 | S7 | N5-S7 PolarHBondContact O-N 3.38Š| ||
| 6 | G | 32.4 | Very low | 41.4 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 89% | 0.887 | 69% | 0.689 | S | S | * | * | trans | -55.8 | 117.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | S | 31.4 | Very low | 42.8 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | trans | -134.8 | 102.5 | 136.7 | 49.8 | 0 | 0 | 0 | 0 | 105.2 | N5 I9 | N5-S7 PolarHBondContact O-N 3.38Å; S7-I9 PolarHBondContact O-N 2.72Å | ||
| 8 | K | 33.3 | Very low | 44.1 | Very low | 207 Ų | 207 | 120 Ų | 120 | 90% | 0.9 | 67% | 0.667 | S | S | * | * | trans | -66.5 | 88.4 | 161.6 | -74 | -179.8 | 178.5 | 178.6 | 0 | 104.9 | P10 | K8-P10 WeakPolarHBondContact O-CD 3.39Å; K8-P10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | I | 37.2 | Very low | 45.1 | Very low | 143 Ų | 143 | 116.2 Ų | 116.2 | 73% | 0.733 | 64% | 0.644 | S | S | * | * | trans | -56.3 | 117.4 | 163.1 | -60.6 | 173.7 | 0 | 0 | 0 | 104.1 | S7 F11 | S7-I9 PolarHBondContact O-N 2.72Å; I9-F11 PolarHBondContact O-N 3.17Å; I9-F11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | P | 37.2 | Very low | 46.1 | Very low | 111 Ų | 111 | 114 Ų | 114 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | trans | -58.8 | 125.4 | -173 | 22.8 | -30.7 | 0 | 0 | 0 | 107.6 | K8 N12 | K8-P10 WeakPolarHBondContact O-CD 3.39Å; K8-P10 VanDerWaalsContact O-N 3.09Å; P10-N12 PolarHBondContact O-N 2.75Å | ||
| 11 | F | 43 | Very low | 47 | Very low | 111 Ų | 111 | 112.1 Ų | 112.1 | 49% | 0.487 | 63% | 0.626 | S | S | . | * | trans | -61.7 | 97.4 | 179.8 | -157.9 | -88.9 | 0 | 0 | 0 | 107.4 | I9 S13 L16 Q48 | I9-F11 PolarHBondContact O-N 3.17Å; I9-F11 VanDerWaalsContact O-N 3.11Å; F11-S13 PolarHBondContact O-N 3.39Å; F11-S13 VanDerWaalsContact O-N 3.14Å; F11-L16 HydrophobicContact CE1-CD1 4.3Å; F11-L16 HydrophobicContact CZ-CD1 3.99Å; F11-Q48 VanDerWaalsContact CZ-NE2 3.32Å | ||
| 12 | N | 53.6 | Low | 48.7 | Very low | 86 Ų | 86 | 107.2 Ų | 107.2 | 46% | 0.46 | 60% | 0.6 | S | S | . | * | trans | -83 | 93.1 | 175.8 | -157.1 | -4.4 | 0 | 0 | 0 | 107 | P10 D14 T15 | P10-N12 PolarHBondContact O-N 2.75Å; N12-D14 PolarHBondContact O-N 2.84Å; N12-D14 WeakPolarHBondContact OD1-CB 3.38Å; N12-T15 HydrophobicContact CB-CG2 4.28Å; N12-T15 PolarHBondContact O-N 3.46Å; N12-T15 VanDerWaalsContact O-N 3.11Å; N12-T15 PolarHBondContact O-OG1 3.07Å | ||
| 13 | S | 57.4 | Low | 50.3 | Low | 64 Ų | 64 | 99.1 Ų | 99.1 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -48.1 | -32.2 | 174.3 | 45.1 | 0 | 0 | 0 | 0 | 111.7 | F11 T15 L16 V17 | F11-S13 PolarHBondContact O-N 3.39Å; F11-S13 VanDerWaalsContact O-N 3.14Å; S13-T15 PolarHBondContact O-N 3.17Å; S13-L16 PolarHBondContact O-N 3.37Å; S13-V17 WeakPolarHBondContact O-CB 3.25Å; S13-V17 VanDerWaalsContact O-CG2 3.26Å; S13-V17 WeakPolarHBondContact O-CG2 3.32Å; S13-V17 PolarHBondContact O-N 3.46Å |
| 14 | D | 61.3 | Low | 51.6 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 57% | 0.572 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.7 | -32.8 | -175.3 | -59.3 | -11.3 | 0 | 0 | 0 | 112.5 | N12 S18 | N12-D14 PolarHBondContact O-N 2.84Å; N12-D14 WeakPolarHBondContact OD1-CB 3.38Å; D14-S18 WeakPolarHBondContact O-CB 3.34Å; D14-S18 PolarHBondContact O-N 3.04Å; D14-S18 PolarHBondContact O-OG 3.19Å |
| 15 | T | 64.6 | Low | 52.8 | Low | 70 Ų | 70 | 96.1 Ų | 96.1 | 43% | 0.429 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.1 | -36.6 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | N12 S13 S18 M19 | N12-T15 HydrophobicContact CB-CG2 4.28Å; N12-T15 PolarHBondContact O-N 3.46Å; N12-T15 VanDerWaalsContact O-N 3.11Å; N12-T15 PolarHBondContact O-OG1 3.07Å; S13-T15 PolarHBondContact O-N 3.17Å; T15-S18 WeakPolarHBondContact CA-OG 3.28Å; T15-S18 PolarHBondContact O-OG 2.88Å; T15-M19 VanDerWaalsContact O-CB 3.26Å; T15-M19 WeakPolarHBondContact O-CB 3.26Å; T15-M19 VanDerWaalsContact O-CG 3.29Å; T15-M19 WeakPolarHBondContact O-CG 3.42Å; T15-M19 PolarHBondContact O-N 3Å |
| 16 | L | 61.1 | Low | 54.4 | Low | 27 Ų | 27 | 91.3 Ų | 91.3 | 14% | 0.141 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -71.7 | -43.3 | 177.4 | -130.5 | 166 | 0 | 0 | 0 | 111.1 | F11 S13 M19 L20 L40 L44 | F11-L16 HydrophobicContact CE1-CD1 4.3Å; F11-L16 HydrophobicContact CZ-CD1 3.99Å; S13-L16 PolarHBondContact O-N 3.37Å; L16-M19 PolarHBondContact O-N 3.32Å; L16-L20 HydrophobicContact CD2-CD1 3.74Å; L16-L20 HydrophobicContact CD2-CG 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.33Å; L16-L20 PolarHBondContact O-N 2.88Å; L16-L40 HydrophobicContact CD2-CD2 3.6Å; L16-L40 HydrophobicContact CG-CD2 4.34Å; L16-L44 HydrophobicContact CD1-CD2 4.08Å |
| 17 | V | 65.1 | Low | 56.1 | Low | 91 Ų | 91 | 95.6 Ų | 95.6 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -43.3 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | S13 L20 S21 | S13-V17 WeakPolarHBondContact O-CB 3.25Å; S13-V17 VanDerWaalsContact O-CG2 3.26Å; S13-V17 WeakPolarHBondContact O-CG2 3.32Å; S13-V17 PolarHBondContact O-N 3.46Å; V17-L20 PolarHBondContact O-N 3.48Å; V17-S21 VanDerWaalsContact O-CB 3.25Å; V17-S21 WeakPolarHBondContact O-CB 3.41Å; V17-S21 PolarHBondContact O-N 3.35Å; V17-S21 PolarHBondContact O-OG 2.68Å |
| 18 | S | 67 | Low | 58.1 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | D14 T15 L20 S21 H22 | D14-S18 WeakPolarHBondContact O-CB 3.34Å; D14-S18 PolarHBondContact O-N 3.04Å; D14-S18 PolarHBondContact O-OG 3.19Å; T15-S18 WeakPolarHBondContact CA-OG 3.28Å; T15-S18 PolarHBondContact O-OG 2.88Å; S18-L20 PolarHBondContact O-N 3.18Å; S18-S21 WeakPolarHBondContact CA-OG 3.17Å; S18-S21 PolarHBondContact O-OG 2.93Å; S18-H22 VanDerWaalsContact O-CB 3.28Å; S18-H22 WeakPolarHBondContact O-CB 3.48Å; S18-H22 PolarHBondContact O-N 2.73Å |
| 19 | M | 61.8 | Low | 60.3 | Low | 47 Ų | 47 | 89.8 Ų | 89.8 | 23% | 0.232 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 173.5 | -85.7 | -173.2 | 44.1 | 0 | 0 | 112.2 | T15 L16 N23 L36 K39 L40 | T15-M19 VanDerWaalsContact O-CB 3.26Å; T15-M19 WeakPolarHBondContact O-CB 3.26Å; T15-M19 VanDerWaalsContact O-CG 3.29Å; T15-M19 WeakPolarHBondContact O-CG 3.42Å; T15-M19 PolarHBondContact O-N 3Å; L16-M19 PolarHBondContact O-N 3.32Å; M19-N23 WeakPolarHBondContact O-CB 3.32Å; M19-N23 PolarHBondContact O-N 2.98Å; M19-N23 PolarHBondContact O-ND2 2.83Å; M19-L36 HydrophobicContact CE-CD2 4.01Å; M19-K39 HydrophobicContact CE-CB 3.58Å; M19-K39 HydrophobicContact SD-CB 4.26Å; M19-L40 HydrophobicContact CE-CD2 3.99Å; M19-L40 HydrophobicContact CE-CG 4.06Å |
| 20 | L | 65.3 | Low | 62 | Low | 73 Ų | 73 | 88.1 Ų | 88.1 | 38% | 0.382 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.9 | -47.2 | -179.1 | -73.7 | 174 | 0 | 0 | 0 | 111.6 | L16 V17 S18 H22 N23 L24 | L16-L20 HydrophobicContact CD2-CD1 3.74Å; L16-L20 HydrophobicContact CD2-CG 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.33Å; L16-L20 PolarHBondContact O-N 2.88Å; V17-L20 PolarHBondContact O-N 3.48Å; S18-L20 PolarHBondContact O-N 3.18Å; L20-H22 PolarHBondContact O-N 3.47Å; L20-N23 PolarHBondContact O-N 3.02Å; L20-L24 HydrophobicContact CB-CD1 4.06Å; L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CD1 3.35Å; L20-L24 PolarHBondContact O-N 3.11Å |
| 21 | S | 65.6 | Low | 63.8 | Low | 74 Ų | 74 | 88.4 Ų | 88.4 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | -178.6 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | V17 S18 N23 | V17-S21 VanDerWaalsContact O-CB 3.25Å; V17-S21 WeakPolarHBondContact O-CB 3.41Å; V17-S21 PolarHBondContact O-N 3.35Å; V17-S21 PolarHBondContact O-OG 2.68Å; S18-S21 WeakPolarHBondContact CA-OG 3.17Å; S18-S21 PolarHBondContact O-OG 2.93Å; S21-N23 VanDerWaalsContact C-N 3.27Å; S21-N23 PolarHBondContact O-N 2.88Å |
| 22 | H | 63.8 | Low | 65.4 | Low | 146 Ų | 146 | 86.8 Ų | 86.8 | 68% | 0.676 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -31.5 | 177.7 | -174.9 | -83 | 0 | 0 | 0 | 112.4 | S18 L20 | S18-H22 VanDerWaalsContact O-CB 3.28Å; S18-H22 WeakPolarHBondContact O-CB 3.48Å; S18-H22 PolarHBondContact O-N 2.73Å; L20-H22 PolarHBondContact O-N 3.47Å |
| 23 | N | 59.6 | Low | 66.5 | Low | 36 Ų | 36 | 85.4 Ų | 85.4 | 19% | 0.193 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -99.2 | -30.4 | -170.9 | -72.5 | -64.2 | 0 | 0 | 0 | 114.2 | M19 L20 S21 A25 A26 L28 L36 | M19-N23 WeakPolarHBondContact O-CB 3.32Å; M19-N23 PolarHBondContact O-N 2.98Å; M19-N23 PolarHBondContact O-ND2 2.83Å; L20-N23 PolarHBondContact O-N 3.02Å; S21-N23 VanDerWaalsContact C-N 3.27Å; S21-N23 PolarHBondContact O-N 2.88Å; N23-A25 PolarHBondContact O-N 3.49Å; N23-A26 PolarHBondContact O-N 3.15Å; N23-A26 VanDerWaalsContact O-N 3.17Å; N23-L28 HydrophobicContact CB-CD1 4.09Å; N23-L28 HydrophobicContact CB-CD2 4.28Å; N23-L28 WeakPolarHBondContact O-CD1 3.42Å; N23-L36 HydrophobicContact CB-CD1 3.49Å; N23-L36 VanDerWaalsContact CB-CD1 3.49Å; N23-L36 HydrophobicContact CB-CD2 4Å; N23-L36 HydrophobicContact CB-CG 4.35Å; N23-L36 VanDerWaalsContact ND2-CD2 3.26Å; N23-L36 WeakPolarHBondContact ND2-CD2 3.29Å |
| 24 | L | 60 | Low | 67.4 | Low | 140 Ų | 140 | 87.1 Ų | 87.1 | 73% | 0.733 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.4 | -26.1 | 173.5 | -89.3 | 147.4 | 0 | 0 | 0 | 112.7 | L20 A26 | L20-L24 HydrophobicContact CB-CD1 4.06Å; L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CD1 3.35Å; L20-L24 PolarHBondContact O-N 3.11Å; L24-A26 PolarHBondContact O-N 3.22Å |
| 25 | A | 57.6 | Low | 68.2 | Low | 92 Ų | 92 | 87.4 Ų | 87.4 | 76% | 0.76 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N23 | N23-A25 PolarHBondContact O-N 3.49Š|
| 26 | A | 64.2 | Low | 68.9 | Low | 48 Ų | 48 | 85.1 Ų | 85.1 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -106.4 | 136.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | N23 L24 L28 | N23-A26 PolarHBondContact O-N 3.15Å; N23-A26 VanDerWaalsContact O-N 3.17Å; L24-A26 PolarHBondContact O-N 3.22Å; A26-L28 HydrophobicContact CB-CD2 4.42Å; A26-L28 HydrophobicContact CB-CG 4.36Å; A26-L28 PolarHBondContact O-N 2.91Å |
| 27 | N | 68.1 | Low | 69.8 | Low | 176 Ų | 176 | 87.6 Ų | 87.6 | 94% | 0.941 | 48% | 0.484 | S | S | * | . | trans | -64.4 | 79.5 | 159.9 | -93.6 | -30 | 0 | 0 | 0 | 108.5 | K29 | N27-K29 PolarHBondContact O-N 3.33Š| ||
| 28 | L | 74.3 | Confident | 70.5 | Confident | 46 Ų | 46 | 89.7 Ų | 89.7 | 24% | 0.241 | 49% | 0.486 | C | S | . | . | trans | -61.9 | 131.5 | -175.6 | -70.2 | 156.6 | 0 | 0 | 0 | 109.9 | N23 A26 Q32 V33 L36 | N23-L28 HydrophobicContact CB-CD1 4.09Å; N23-L28 HydrophobicContact CB-CD2 4.28Å; N23-L28 WeakPolarHBondContact O-CD1 3.42Å; A26-L28 HydrophobicContact CB-CD2 4.42Å; A26-L28 HydrophobicContact CB-CG 4.36Å; A26-L28 PolarHBondContact O-N 2.91Å; L28-Q32 HydrophobicContact CB-CB 4.31Å; L28-Q32 HydrophobicContact CD2-CB 3.73Å; L28-V33 HydrophobicContact CB-CG2 3.63Å; L28-V33 HydrophobicContact CD1-CG2 4.29Å; L28-L36 HydrophobicContact CD1-CD1 3.47Å; L28-L36 VanDerWaalsContact CD1-CD1 3.47Å; L28-L36 HydrophobicContact CD2-CD1 3.77Å; L28-L36 HydrophobicContact CG-CD1 4.26Å | ||
| 29 | K | 78.6 | Confident | 71.1 | Confident | 134 Ų | 134 | 92.1 Ų | 92.1 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | trans | -67 | 153.1 | 169.4 | -68.1 | 178.6 | 178.8 | 177.7 | 0 | 109.4 | N27 H31 Q32 V33 | N27-K29 PolarHBondContact O-N 3.33Å; K29-H31 WeakPolarHBondContact CB-CE1 3.43Å; K29-H31 PolarHBondContact O-N 2.9Å; K29-Q32 HydrophobicContact CB-CG 4.39Å; K29-Q32 WeakPolarHBondContact O-CB 3.49Å; K29-Q32 PolarHBondContact O-N 2.99Å; K29-V33 PolarHBondContact O-N 3.49Å | ||
| 30 | P | 72.1 | Confident | 71.9 | Confident | 109 Ų | 109 | 91 Ų | 91 | 71% | 0.708 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -52.1 | -36.2 | -176 | -28.5 | 33.8 | 0 | 0 | 0 | 114.8 | V33 L34 | P30-V33 PolarHBondContact O-N 3.03Å; P30-L34 PolarHBondContact O-N 3.43Å; P30-L34 VanDerWaalsContact O-N 3.15Å |
| 31 | H | 75.6 | Confident | 72.6 | Confident | 117 Ų | 117 | 90 Ų | 90 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.6 | -34.7 | 177.6 | 65.8 | -88.8 | 0 | 0 | 0 | 113 | K29 L34 E35 | K29-H31 WeakPolarHBondContact CB-CE1 3.43Å; K29-H31 PolarHBondContact O-N 2.9Å; H31-L34 PolarHBondContact O-N 2.89Å; H31-E35 PolarHBondContact O-N 3.23Å |
| 32 | Q | 76.3 | Confident | 73.3 | Confident | 76 Ų | 76 | 92.5 Ų | 92.5 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 178 | -59.5 | 176.9 | -45.7 | 0 | 0 | 110.7 | L28 K29 L34 E35 L36 | L28-Q32 HydrophobicContact CB-CB 4.31Å; L28-Q32 HydrophobicContact CD2-CB 3.73Å; K29-Q32 HydrophobicContact CB-CG 4.39Å; K29-Q32 WeakPolarHBondContact O-CB 3.49Å; K29-Q32 PolarHBondContact O-N 2.99Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.45Å; Q32-E35 PolarHBondContact O-N 2.88Å; Q32-L36 WeakPolarHBondContact O-CB 3.47Å; Q32-L36 PolarHBondContact O-N 3.35Å |
| 33 | V | 77.8 | Confident | 74.1 | Confident | 58 Ų | 58 | 88.2 Ų | 88.2 | 35% | 0.352 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | L28 K29 P30 L36 I37 | L28-V33 HydrophobicContact CB-CG2 3.63Å; L28-V33 HydrophobicContact CD1-CG2 4.29Å; K29-V33 PolarHBondContact O-N 3.49Å; P30-V33 PolarHBondContact O-N 3.03Å; V33-L36 WeakPolarHBondContact O-CB 3.26Å; V33-L36 PolarHBondContact O-N 3.24Å; V33-I37 HydrophobicContact CG1-CD1 3.89Å; V33-I37 HydrophobicContact CG1-CG1 4.47Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.37Å; V33-I37 PolarHBondContact O-N 3.27Å |
| 34 | L | 75.3 | Confident | 75.1 | Confident | 100 Ų | 100 | 87.8 Ų | 87.8 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 179.9 | -132.6 | 156.2 | 0 | 0 | 0 | 112.2 | P30 H31 Q32 I37 K38 | P30-L34 PolarHBondContact O-N 3.43Å; P30-L34 VanDerWaalsContact O-N 3.15Å; H31-L34 PolarHBondContact O-N 2.89Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.14Å; L34-K38 WeakPolarHBondContact O-CG 3.3Å; L34-K38 PolarHBondContact O-N 2.86Å |
| 35 | E | 78.3 | Confident | 76.2 | Confident | 113 Ų | 113 | 84.5 Ų | 84.5 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 170.4 | -89.3 | -146.4 | 155.9 | 0 | 0 | 112.6 | H31 Q32 K38 K39 | H31-E35 PolarHBondContact O-N 3.23Å; Q32-E35 PolarHBondContact O-N 2.88Å; E35-K38 WeakPolarHBondContact O-CB 3.43Å; E35-K38 PolarHBondContact O-N 2.83Å; E35-K39 WeakPolarHBondContact O-CG 3.39Å; E35-K39 PolarHBondContact O-N 3.46Å; E35-K39 IonicContact OE2-NZ 3.66Å |
| 36 | L | 80.2 | Confident | 77.2 | Confident | 22 Ų | 22 | 82.8 Ų | 82.8 | 12% | 0.115 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.2 | -85.7 | 158.7 | 0 | 0 | 0 | 111.6 | M19 N23 L28 Q32 V33 K38 K39 L40 | M19-L36 HydrophobicContact CE-CD2 4.01Å; N23-L36 HydrophobicContact CB-CD1 3.49Å; N23-L36 VanDerWaalsContact CB-CD1 3.49Å; N23-L36 HydrophobicContact CB-CD2 4Å; N23-L36 HydrophobicContact CB-CG 4.35Å; N23-L36 VanDerWaalsContact ND2-CD2 3.26Å; N23-L36 WeakPolarHBondContact ND2-CD2 3.29Å; L28-L36 HydrophobicContact CD1-CD1 3.47Å; L28-L36 VanDerWaalsContact CD1-CD1 3.47Å; L28-L36 HydrophobicContact CD2-CD1 3.77Å; L28-L36 HydrophobicContact CG-CD1 4.26Å; Q32-L36 WeakPolarHBondContact O-CB 3.47Å; Q32-L36 PolarHBondContact O-N 3.35Å; V33-L36 WeakPolarHBondContact O-CB 3.26Å; V33-L36 PolarHBondContact O-N 3.24Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.19Å; L36-K39 PolarHBondContact O-N 3.39Å; L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.01Å |
| 37 | I | 79.8 | Confident | 77.9 | Confident | 78 Ų | 78 | 86.8 Ų | 86.8 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 175.7 | -67.2 | 167.1 | 0 | 0 | 0 | 110.5 | V33 L34 L40 S41 | V33-I37 HydrophobicContact CG1-CD1 3.89Å; V33-I37 HydrophobicContact CG1-CG1 4.47Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.37Å; V33-I37 PolarHBondContact O-N 3.27Å; L34-I37 PolarHBondContact O-N 3.14Å; I37-L40 PolarHBondContact O-N 3.45Å; I37-S41 WeakPolarHBondContact O-CB 3.28Å; I37-S41 PolarHBondContact O-N 2.83Å |
| 38 | K | 79 | Confident | 78.5 | Confident | 135 Ų | 135 | 81.4 Ų | 81.4 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 174.6 | -76.5 | 177.5 | 179.5 | -179 | 0 | 112.4 | L34 E35 L36 S41 V42 | L34-K38 WeakPolarHBondContact O-CG 3.3Å; L34-K38 PolarHBondContact O-N 2.86Å; E35-K38 WeakPolarHBondContact O-CB 3.43Å; E35-K38 PolarHBondContact O-N 2.83Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.19Å; K38-S41 PolarHBondContact O-N 3.31Å; K38-S41 PolarHBondContact O-OG 3.38Å; K38-V42 PolarHBondContact O-N 3.29Å |
| 39 | K | 80 | Confident | 78.7 | Confident | 114 Ų | 114 | 83.3 Ų | 83.3 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 177.1 | -71.4 | 174.9 | -177.7 | 168.9 | 0 | 111.3 | M19 E35 L36 V42 S43 | M19-K39 HydrophobicContact CE-CB 3.58Å; M19-K39 HydrophobicContact SD-CB 4.26Å; E35-K39 WeakPolarHBondContact O-CG 3.39Å; E35-K39 PolarHBondContact O-N 3.46Å; E35-K39 IonicContact OE2-NZ 3.66Å; L36-K39 PolarHBondContact O-N 3.39Å; K39-V42 PolarHBondContact O-N 2.97Å; K39-S43 PolarHBondContact O-N 3.21Å |
| 40 | L | 78.9 | Confident | 78.6 | Confident | 25 Ų | 25 | 80.4 Ų | 80.4 | 13% | 0.131 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.8 | -71.5 | 172 | 0 | 0 | 0 | 111.6 | L16 M19 L36 I37 V42 S43 L44 | L16-L40 HydrophobicContact CD2-CD2 3.6Å; L16-L40 HydrophobicContact CG-CD2 4.34Å; M19-L40 HydrophobicContact CE-CD2 3.99Å; M19-L40 HydrophobicContact CE-CG 4.06Å; L36-L40 WeakPolarHBondContact O-CB 3.33Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.01Å; I37-L40 PolarHBondContact O-N 3.45Å; L40-V42 PolarHBondContact O-N 3.11Å; L40-S43 PolarHBondContact O-N 2.86Å; L40-S43 VanDerWaalsContact O-N 3.09Å; L40-L44 HydrophobicContact CB-CD1 4.34Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.04Å |
| 41 | S | 78.6 | Confident | 78.9 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -25.2 | -179.2 | 79.5 | 0 | 0 | 0 | 0 | 113.3 | I37 K38 K49 | I37-S41 WeakPolarHBondContact O-CB 3.28Å; I37-S41 PolarHBondContact O-N 2.83Å; K38-S41 PolarHBondContact O-N 3.31Å; K38-S41 PolarHBondContact O-OG 3.38Å; S41-K49 WeakPolarHBondContact O-CE 2.77Å; S41-K49 PolarHBondContact O-NZ 3.46Å |
| 42 | V | 80.8 | Confident | 79 | Confident | 127 Ų | 127 | 76 Ų | 76 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -77.9 | -35.5 | 172.1 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | K38 K39 L40 | K38-V42 PolarHBondContact O-N 3.29Å; K39-V42 PolarHBondContact O-N 2.97Å; L40-V42 PolarHBondContact O-N 3.11Å |
| 43 | S | 81.6 | Confident | 79.1 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.1 | -26.9 | -177.7 | 178.1 | 0 | 0 | 0 | 0 | 114.7 | K39 L40 | K39-S43 PolarHBondContact O-N 3.21Å; L40-S43 PolarHBondContact O-N 2.86Å; L40-S43 VanDerWaalsContact O-N 3.09Å |
| 44 | L | 80.3 | Confident | 79 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 14% | 0.136 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -85.7 | 144.6 | -171.7 | -67.5 | 172.1 | 0 | 0 | 0 | 112.7 | L16 L40 Q48 K49 L52 | L16-L44 HydrophobicContact CD1-CD2 4.08Å; L40-L44 HydrophobicContact CB-CD1 4.34Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.04Å; L44-Q48 HydrophobicContact CB-CB 4.03Å; L44-Q48 HydrophobicContact CD2-CB 3.95Å; L44-Q48 HydrophobicContact CG-CB 4.42Å; L44-K49 HydrophobicContact CB-CG 4.05Å; L44-K49 VanDerWaalsContact O-CE 3.22Å; L44-K49 WeakPolarHBondContact O-CE 3.27Å; L44-L52 HydrophobicContact CD1-CD2 3.72Å |
| 45 | T | 82.4 | Confident | 78.9 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | trans | -68.7 | 163.8 | 170.2 | 62 | 0 | 0 | 0 | 0 | 111.7 | Q47 Q48 K49 | T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.85Å; T45-Q48 PolarHBondContact O-N 3.09Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.27Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.27Å; T45-Q48 PolarHBondContact OG1-N 2.87Å; T45-Q48 PolarHBondContact OG1-OE1 2.98Å; T45-K49 WeakPolarHBondContact O-CG 3.22Å; T45-K49 PolarHBondContact O-N 2.82Å | ||
| 46 | G | 79.5 | Confident | 78.6 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 57% | 0.567 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -54.2 | -43.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K49 T50 | G46-K49 WeakPolarHBondContact O-CB 3.19Å; G46-K49 PolarHBondContact O-N 3.05Å; G46-T50 PolarHBondContact O-N 3.31Å; G46-T50 PolarHBondContact O-OG1 2.73Å |
| 47 | Q | 79.3 | Confident | 78.1 | Confident | 132 Ų | 132 | 84 Ų | 84 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -69.5 | -36.2 | 177.9 | -170.1 | 65.4 | 26.8 | 0 | 0 | 112.7 | T45 K49 T50 N51 | T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.85Å; Q47-K49 VanDerWaalsContact C-N 3.31Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.31Å; Q47-T50 PolarHBondContact O-N 2.89Å; Q47-T50 PolarHBondContact O-OG1 3.28Å; Q47-N51 PolarHBondContact NE2-OD1 3.5Å; Q47-N51 VanDerWaalsContact O-CG 3.28Å; Q47-N51 PolarHBondContact O-N 3.27Å; Q47-N51 PolarHBondContact O-OD1 2.97Å |
| 48 | Q | 78.9 | Confident | 77.7 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 30% | 0.299 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.2 | -33.7 | 176.3 | -72.1 | 165.4 | -30.1 | 0 | 0 | 111.4 | F11 L44 T45 N51 L52 | F11-Q48 VanDerWaalsContact CZ-NE2 3.32Å; L44-Q48 HydrophobicContact CB-CB 4.03Å; L44-Q48 HydrophobicContact CD2-CB 3.95Å; L44-Q48 HydrophobicContact CG-CB 4.42Å; T45-Q48 PolarHBondContact O-N 3.09Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.27Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.27Å; T45-Q48 PolarHBondContact OG1-N 2.87Å; T45-Q48 PolarHBondContact OG1-OE1 2.98Å; Q48-N51 PolarHBondContact O-N 3.37Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.41Å; Q48-L52 PolarHBondContact O-N 2.88Å |
| 49 | K | 79.6 | Confident | 77.4 | Confident | 86 Ų | 86 | 83.5 Ų | 83.5 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 172.3 | -71 | 173 | 178.8 | -177.9 | 0 | 111.6 | S41 L44 T45 G46 Q47 L52 L53 | S41-K49 WeakPolarHBondContact O-CE 2.77Å; S41-K49 PolarHBondContact O-NZ 3.46Å; L44-K49 HydrophobicContact CB-CG 4.05Å; L44-K49 VanDerWaalsContact O-CE 3.22Å; L44-K49 WeakPolarHBondContact O-CE 3.27Å; T45-K49 WeakPolarHBondContact O-CG 3.22Å; T45-K49 PolarHBondContact O-N 2.82Å; G46-K49 WeakPolarHBondContact O-CB 3.19Å; G46-K49 PolarHBondContact O-N 3.05Å; Q47-K49 VanDerWaalsContact C-N 3.31Å; K49-L52 PolarHBondContact O-N 2.96Å; K49-L53 WeakPolarHBondContact O-CB 3.34Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.47Å; K49-L53 PolarHBondContact O-N 3.29Å |
| 50 | T | 76 | Confident | 76.7 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 177.6 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | G46 Q47 L52 L53 E54 | G46-T50 PolarHBondContact O-N 3.31Å; G46-T50 PolarHBondContact O-OG1 2.73Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.31Å; Q47-T50 PolarHBondContact O-N 2.89Å; Q47-T50 PolarHBondContact O-OG1 3.28Å; T50-L52 PolarHBondContact O-N 3.1Å; T50-L53 PolarHBondContact O-N 3.23Å; T50-E54 WeakPolarHBondContact O-CB 3.38Å; T50-E54 PolarHBondContact O-N 3.29Å |
| 51 | N | 78.1 | Confident | 75.9 | Confident | 71 Ų | 71 | 86.5 Ų | 86.5 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 178.4 | -67.7 | 4.1 | 0 | 0 | 0 | 112.4 | Q47 Q48 E54 H55 | Q47-N51 PolarHBondContact NE2-OD1 3.5Å; Q47-N51 VanDerWaalsContact O-CG 3.28Å; Q47-N51 PolarHBondContact O-N 3.27Å; Q47-N51 PolarHBondContact O-OD1 2.97Å; Q48-N51 PolarHBondContact O-N 3.37Å; N51-E54 PolarHBondContact O-N 3.28Å; N51-H55 PolarHBondContact O-N 2.82Å; N51-H55 PolarHBondContact O-ND1 3.44Å |
| 52 | L | 79 | Confident | 75.1 | Confident | 64 Ų | 64 | 87.4 Ų | 87.4 | 34% | 0.335 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.1 | 179.6 | 69.8 | 0 | 0 | 0 | 110.9 | L44 Q48 K49 T50 H55 L56 | L44-L52 HydrophobicContact CD1-CD2 3.72Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.41Å; Q48-L52 PolarHBondContact O-N 2.88Å; K49-L52 PolarHBondContact O-N 2.96Å; T50-L52 PolarHBondContact O-N 3.1Å; L52-H55 PolarHBondContact O-N 3.04Å; L52-L56 HydrophobicContact CD1-CD1 4.31Å; L52-L56 HydrophobicContact CD1-CG 4.44Å; L52-L56 HydrophobicContact CD2-CD1 4.44Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.27Å; L52-L56 PolarHBondContact O-N 3.24Å |
| 53 | L | 78.3 | Confident | 74.4 | Confident | 101 Ų | 101 | 83.2 Ų | 83.2 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.6 | -76.8 | 166.8 | 0 | 0 | 0 | 111.5 | K49 T50 H55 L56 L57 | K49-L53 WeakPolarHBondContact O-CB 3.34Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.47Å; K49-L53 PolarHBondContact O-N 3.29Å; T50-L53 PolarHBondContact O-N 3.23Å; L53-H55 VanDerWaalsContact C-N 3.34Å; L53-H55 PolarHBondContact O-N 3.4Å; L53-L56 PolarHBondContact O-N 3.33Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.27Å |
| 54 | E | 74.2 | Confident | 73.5 | Confident | 135 Ų | 135 | 88 Ų | 88 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 177.6 | -169.2 | 175.9 | -170.9 | 0 | 0 | 111.7 | T50 N51 L57 G58 | T50-E54 WeakPolarHBondContact O-CB 3.38Å; T50-E54 PolarHBondContact O-N 3.29Å; N51-E54 PolarHBondContact O-N 3.28Å; E54-L57 PolarHBondContact O-N 3.41Å; E54-G58 PolarHBondContact O-N 2.97Å |
| 55 | H | 73.9 | Confident | 72.6 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 175 | -80.1 | 68.8 | 0 | 0 | 0 | 112.5 | N51 L52 L53 L57 G58 L59 | N51-H55 PolarHBondContact O-N 2.82Å; N51-H55 PolarHBondContact O-ND1 3.44Å; L52-H55 PolarHBondContact O-N 3.04Å; L53-H55 VanDerWaalsContact C-N 3.34Å; L53-H55 PolarHBondContact O-N 3.4Å; H55-L57 VanDerWaalsContact C-N 3.32Å; H55-L57 PolarHBondContact O-N 3.41Å; H55-G58 PolarHBondContact O-N 2.8Å; H55-L59 VanDerWaalsContact O-CG 3.28Å; H55-L59 WeakPolarHBondContact O-CG 3.44Å; H55-L59 PolarHBondContact O-N 3.39Å |
| 56 | L | 73.1 | Confident | 71.8 | Confident | 69 Ų | 69 | 94.9 Ų | 94.9 | 36% | 0.361 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 177 | -75.4 | 171.1 | 0 | 0 | 0 | 111.9 | L52 L53 L59 T60 | L52-L56 HydrophobicContact CD1-CD1 4.31Å; L52-L56 HydrophobicContact CD1-CG 4.44Å; L52-L56 HydrophobicContact CD2-CD1 4.44Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.27Å; L52-L56 PolarHBondContact O-N 3.24Å; L53-L56 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 3.03Å; L56-T60 PolarHBondContact O-N 3.44Å; L56-T60 PolarHBondContact O-OG1 2.99Å |
| 57 | L | 69.7 | Low | 71.2 | Confident | 99 Ų | 99 | 95.1 Ų | 95.1 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 175.1 | -70.6 | 170.5 | 0 | 0 | 0 | 111.9 | L53 E54 H55 L59 T60 I62 | L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.27Å; E54-L57 PolarHBondContact O-N 3.41Å; H55-L57 VanDerWaalsContact C-N 3.32Å; H55-L57 PolarHBondContact O-N 3.41Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-T60 VanDerWaalsContact O-O 3.08Å; L57-I62 HydrophobicContact CD2-CD1 3.38Å; L57-I62 HydrophobicContact CD2-CG1 4.42Å |
| 58 | G | 71 | Confident | 70.4 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 71% | 0.711 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -33 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E54 H55 | E54-G58 PolarHBondContact O-N 2.97Å; H55-G58 PolarHBondContact O-N 2.8Å |
| 59 | L | 71.4 | Confident | 69.7 | Low | 134 Ų | 134 | 97.7 Ų | 97.7 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -83.9 | -21.3 | -179.7 | -68.3 | 170.4 | 0 | 0 | 0 | 113.6 | H55 L56 L57 | H55-L59 VanDerWaalsContact O-CG 3.28Å; H55-L59 WeakPolarHBondContact O-CG 3.44Å; H55-L59 PolarHBondContact O-N 3.39Å; L56-L59 PolarHBondContact O-N 3.03Å; L57-L59 VanDerWaalsContact C-N 3.33Å |
| 60 | T | 66.9 | Low | 69.1 | Low | 74 Ų | 74 | 97.2 Ų | 97.2 | 45% | 0.454 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -113.9 | 102.5 | -177.7 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | L56 L57 I62 | L56-T60 PolarHBondContact O-N 3.44Å; L56-T60 PolarHBondContact O-OG1 2.99Å; L57-T60 VanDerWaalsContact O-O 3.08Å; T60-I62 PolarHBondContact O-N 3.41Å |
| 61 | P | 60.6 | Low | 68.5 | Low | 128 Ų | 128 | 95.4 Ų | 95.4 | 83% | 0.831 | 52% | 0.516 | S | S | * | . | trans | -63.9 | 102.5 | 167.6 | 25.4 | -30.8 | 0 | 0 | 0 | 108 | G63 | P61-G63 PolarHBondContact O-N 3.44Š| ||
| 62 | I | 63.5 | Low | 67.8 | Low | 69 Ų | 69 | 96.6 Ų | 96.6 | 35% | 0.354 | 53% | 0.526 | S | S | . | . | trans | -68 | 103.5 | 176.9 | -60.8 | 178.4 | 0 | 0 | 0 | 107.5 | L57 T60 E66 S67 L70 | L57-I62 HydrophobicContact CD2-CD1 3.38Å; L57-I62 HydrophobicContact CD2-CG1 4.42Å; T60-I62 PolarHBondContact O-N 3.41Å; I62-E66 HydrophobicContact CG2-CB 3.93Å; I62-S67 WeakPolarHBondContact CG2-OG 3.17Å; I62-L70 HydrophobicContact CD1-CD1 4.26Å | ||
| 63 | G | 64.4 | Low | 67 | Low | 40 Ų | 40 | 99.3 Ų | 99.3 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | trans | -66.5 | 156.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P61 F65 E66 S67 | P61-G63 PolarHBondContact O-N 3.44Å; G63-F65 PolarHBondContact O-N 3.28Å; G63-E66 PolarHBondContact O-N 2.76Å; G63-S67 PolarHBondContact O-N 3.5Å | ||
| 64 | H | 63 | Low | 66.2 | Low | 155 Ų | 155 | 100.5 Ų | 100.5 | 72% | 0.718 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -50.1 | -36.3 | -179.3 | -179.3 | 69.4 | 0 | 0 | 0 | 113.8 | S67 L68 | H64-S67 WeakPolarHBondContact O-CB 3.39Å; H64-S67 PolarHBondContact O-N 3.14Å; H64-L68 PolarHBondContact O-N 2.95Å |
| 65 | F | 62 | Low | 65.5 | Low | 157 Ų | 157 | 97 Ų | 97 | 69% | 0.689 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -37.1 | 179 | -168.4 | -98.9 | 0 | 0 | 0 | 113.1 | G63 S67 L68 R69 | G63-F65 PolarHBondContact O-N 3.28Å; F65-S67 VanDerWaalsContact C-N 3.34Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.89Å; F65-R69 PolarHBondContact O-N 2.96Å; F65-R69 VanDerWaalsContact O-N 3.1Å |
| 66 | E | 65 | Low | 65 | Low | 87 Ų | 87 | 95.3 Ų | 95.3 | 41% | 0.407 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.9 | -31.3 | 177.2 | -66.7 | -58.5 | 159.9 | 0 | 0 | 111.4 | I62 G63 L68 R69 L70 | I62-E66 HydrophobicContact CG2-CB 3.93Å; G63-E66 PolarHBondContact O-N 2.76Å; E66-L68 PolarHBondContact O-N 3.03Å; E66-R69 PolarHBondContact O-N 3.38Å; E66-L70 WeakPolarHBondContact O-CB 3.41Å; E66-L70 VanDerWaalsContact O-CG 3.31Å; E66-L70 WeakPolarHBondContact O-CG 3.31Å; E66-L70 PolarHBondContact O-N 2.84Å |
| 67 | S | 66.7 | Low | 64.4 | Low | 59 Ų | 59 | 96.7 Ų | 96.7 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 170.3 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | I62 G63 H64 F65 R69 L70 A71 | I62-S67 WeakPolarHBondContact CG2-OG 3.17Å; G63-S67 PolarHBondContact O-N 3.5Å; H64-S67 WeakPolarHBondContact O-CB 3.39Å; H64-S67 PolarHBondContact O-N 3.14Å; F65-S67 VanDerWaalsContact C-N 3.34Å; S67-R69 VanDerWaalsContact C-N 3.34Å; S67-L70 PolarHBondContact O-N 3.46Å; S67-A71 PolarHBondContact O-N 3.49Å |
| 68 | L | 62.4 | Low | 64.2 | Low | 100 Ų | 100 | 94.7 Ų | 94.7 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.7 | -84.8 | 151.4 | 0 | 0 | 0 | 111.8 | H64 F65 E66 A71 | H64-L68 PolarHBondContact O-N 2.95Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.89Å; E66-L68 PolarHBondContact O-N 3.03Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 3.3Å |
| 69 | R | 65.9 | Low | 63.6 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 177.4 | -166.8 | 176.6 | -179.3 | 179.1 | 1.7 | 111.6 | F65 E66 S67 A71 T72 | F65-R69 PolarHBondContact O-N 2.96Å; F65-R69 VanDerWaalsContact O-N 3.1Å; E66-R69 PolarHBondContact O-N 3.38Å; S67-R69 VanDerWaalsContact C-N 3.34Å; R69-A71 VanDerWaalsContact C-N 3.3Å; R69-A71 PolarHBondContact O-N 3.47Å; R69-T72 PolarHBondContact O-N 3.46Å; R69-T72 PolarHBondContact O-OG1 2.89Å |
| 70 | L | 65.8 | Low | 62.7 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 39% | 0.393 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.9 | -33.6 | 176.3 | -75.4 | 170 | 0 | 0 | 0 | 112.6 | I62 E66 S67 T72 H73 L74 | I62-L70 HydrophobicContact CD1-CD1 4.26Å; E66-L70 WeakPolarHBondContact O-CB 3.41Å; E66-L70 VanDerWaalsContact O-CG 3.31Å; E66-L70 WeakPolarHBondContact O-CG 3.31Å; E66-L70 PolarHBondContact O-N 2.84Å; S67-L70 PolarHBondContact O-N 3.46Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.2Å; L70-H73 PolarHBondContact O-N 3.36Å; L70-L74 HydrophobicContact CB-CD1 4.44Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 2.94Å |
| 71 | A | 64.3 | Low | 61.9 | Low | 35 Ų | 35 | 108.5 Ų | 108.5 | 29% | 0.289 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -54.4 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S67 L68 R69 H73 L74 H75 | S67-A71 PolarHBondContact O-N 3.49Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 3.3Å; R69-A71 VanDerWaalsContact C-N 3.3Å; R69-A71 PolarHBondContact O-N 3.47Å; A71-H73 VanDerWaalsContact C-N 3.27Å; A71-H73 PolarHBondContact O-N 3.22Å; A71-L74 PolarHBondContact O-N 2.98Å; A71-H75 WeakPolarHBondContact O-CB 3.47Å; A71-H75 PolarHBondContact O-CD2 3.23Å; A71-H75 PolarHBondContact O-N 3.14Å |
| 72 | T | 63.3 | Low | 61.7 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.6 | -34.9 | 179 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | R69 L70 S76 | R69-T72 PolarHBondContact O-N 3.46Å; R69-T72 PolarHBondContact O-OG1 2.89Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.2Å; T72-S76 PolarHBondContact O-N 3.31Å |
| 73 | H | 62.6 | Low | 61.2 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80 | -36.9 | 177.4 | -68.3 | -57.3 | 0 | 0 | 0 | 113.3 | L70 A71 H75 S76 | L70-H73 PolarHBondContact O-N 3.36Å; A71-H73 VanDerWaalsContact C-N 3.27Å; A71-H73 PolarHBondContact O-N 3.22Å; H73-H75 PolarHBondContact O-N 3Å; H73-S76 PolarHBondContact O-N 3.3Å; H73-S76 PolarHBondContact O-OG 2.89Å |
| 74 | L | 61.6 | Low | 61 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.1 | -28.1 | 173.9 | -70.3 | 169.1 | 0 | 0 | 0 | 111.5 | L70 A71 | L70-L74 HydrophobicContact CB-CD1 4.44Å; L70-L74 WeakPolarHBondContact O-CG 3.3Å; L70-L74 PolarHBondContact O-N 2.94Å; A71-L74 PolarHBondContact O-N 2.98Å |
| 75 | H | 59.2 | Low | 61.2 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 29% | 0.287 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -1.4 | 177.6 | -64 | -53.1 | 0 | 0 | 0 | 114.8 | A71 H73 S77 C78 C84 | A71-H75 WeakPolarHBondContact O-CB 3.47Å; A71-H75 PolarHBondContact O-CD2 3.23Å; A71-H75 PolarHBondContact O-N 3.14Å; H73-H75 PolarHBondContact O-N 3Å; H75-S77 PolarHBondContact O-N 3.04Å; H75-S77 VanDerWaalsContact O-N 3.14Å; H75-C78 VanDerWaalsContact O-CB 3.3Å; H75-C78 WeakPolarHBondContact O-CB 3.4Å; H75-C78 PolarHBondContact O-N 2.88Å; H75-C84 PolarHBondContact CE1-O 2.88Å; H75-C84 PolarHBondContact ND1-O 3.27Å |
| 76 | S | 63.6 | Low | 61.9 | Low | 97 Ų | 97 | 101.2 Ų | 101.2 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.2 | -178.7 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | T72 H73 | T72-S76 PolarHBondContact O-N 3.31Å; H73-S76 PolarHBondContact O-N 3.3Å; H73-S76 PolarHBondContact O-OG 2.89Å |
| 77 | S | 60.4 | Low | 62.7 | Low | 98 Ų | 98 | 100.7 Ų | 100.7 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.3 | 175.3 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | H75 Q79 | H75-S77 PolarHBondContact O-N 3.04Å; H75-S77 VanDerWaalsContact O-N 3.14Å; S77-Q79 PolarHBondContact O-N 3.47Å |
| 78 | C | 64.1 | Low | 63.6 | Low | 57 Ų | 57 | 97.9 Ų | 97.9 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | trans | -77.6 | 69.1 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | H75 R80 C84 | H75-C78 VanDerWaalsContact O-CB 3.3Å; H75-C78 WeakPolarHBondContact O-CB 3.4Å; H75-C78 PolarHBondContact O-N 2.88Å; C78-R80 VanDerWaalsContact C-N 3.32Å; C78-R80 PolarHBondContact O-N 3.08Å; C78-C84 HydrophobicContact CB-CB 3.61Å | ||
| 79 | Q | 59.1 | Low | 64.5 | Low | 186 Ų | 186 | 97.1 Ų | 97.1 | 87% | 0.869 | 52% | 0.519 | S | S | * | . | trans | -79.7 | 4.8 | -168.1 | -125.8 | 175.6 | 16 | 0 | 0 | 115.9 | S77 | S77-Q79 PolarHBondContact O-N 3.47Š| ||
| 80 | R | 53 | Low | 65.2 | Low | 231 Ų | 231 | 100 Ų | 100 | 87% | 0.872 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -161.3 | 19.1 | -175.6 | -136.3 | 175.9 | 175.4 | 100.3 | -2.8 | 118.9 | C78 | C78-R80 VanDerWaalsContact C-N 3.32Å; C78-R80 PolarHBondContact O-N 3.08Å |
| 81 | M | 50.1 | Low | 66.1 | Low | 150 Ų | 150 | 98.3 Ų | 98.3 | 74% | 0.739 | 52% | 0.521 | S | S | * | . | trans | -128.5 | 119.2 | 174.2 | -74.8 | -78.1 | 162.7 | 0 | 0 | 109.2 | D83 | M81-D83 PolarHBondContact O-N 3.11Š| ||
| 82 | P | 56.4 | Low | 67.3 | Low | 125 Ų | 125 | 100.1 Ų | 100.1 | 81% | 0.812 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.6 | 179.9 | 15 | -22.3 | 0 | 0 | 0 | 114.4 | ||
| 83 | D | 52.4 | Low | 68.5 | Low | 105 Ų | 105 | 97.2 Ų | 97.2 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 32.8 | -174 | -59.5 | -32 | 0 | 0 | 0 | 114.1 | M81 C85 D86 | M81-D83 PolarHBondContact O-N 3.11Å; D83-C85 PolarHBondContact O-N 3.38Å; D83-D86 PolarHBondContact O-N 3.06Å; D83-D86 VanDerWaalsContact O-N 3.11Å |
| 84 | C | 59.3 | Low | 69.9 | Low | 47 Ų | 47 | 98 Ų | 98 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.5 | -175.9 | 78.7 | 0 | 0 | 0 | 0 | 115 | H75 C78 | H75-C84 PolarHBondContact CE1-O 2.88Å; H75-C84 PolarHBondContact ND1-O 3.27Å; C78-C84 HydrophobicContact CB-CB 3.61Å |
| 85 | C | 68.1 | Low | 71.3 | Confident | 102 Ų | 102 | 96 Ų | 96 | 69% | 0.689 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -3.2 | -179.5 | -57.8 | 0 | 0 | 0 | 0 | 114 | D83 F87 | D83-C85 PolarHBondContact O-N 3.38Å; C85-F87 PolarHBondContact O-N 3.03Å |
| 86 | D | 76.5 | Confident | 72.9 | Confident | 17 Ų | 17 | 93 Ų | 93 | 9% | 0.091 | 50% | 0.495 | C | S | . | . | trans | -86.7 | 95.7 | -176.2 | -168.7 | 4 | 0 | 0 | 0 | 111.7 | D83 V88 T89 W90 N115 S117 W118 | D83-D86 PolarHBondContact O-N 3.06Å; D83-D86 VanDerWaalsContact O-N 3.11Å; D86-V88 PolarHBondContact O-N 3.29Å; D86-V88 VanDerWaalsContact O-N 3.1Å; D86-V88 WeakPolarHBondContact OD1-CB 3.41Å; D86-V88 PolarHBondContact OD1-N 3.47Å; D86-T89 HydrophobicContact CB-CG2 4.45Å; D86-T89 PolarHBondContact O-N 2.9Å; D86-T89 PolarHBondContact O-OG1 3.24Å; D86-W90 PolarHBondContact O-N 2.93Å; D86-N115 PolarHBondContact OD2-ND2 3.27Å; D86-S117 PolarHBondContact OD2-OG 3.1Å; D86-W118 PolarHBondContact OD1-NE1 2.97Å; D86-W118 PolarHBondContact OD2-NE1 2.9Å | ||
| 87 | F | 82.5 | Confident | 74.2 | Confident | 75 Ų | 75 | 89.9 Ų | 89.9 | 33% | 0.329 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -23 | 176.5 | 74 | -93.5 | 0 | 0 | 0 | 113.1 | C85 T89 W90 L91 I99 F100 W118 | C85-F87 PolarHBondContact O-N 3.03Å; F87-T89 VanDerWaalsContact C-N 3.33Å; F87-W90 PolarHBondContact O-N 3.05Å; F87-L91 HydrophobicContact CD2-CD1 3.85Å; F87-L91 WeakPolarHBondContact O-CB 3.35Å; F87-L91 WeakPolarHBondContact O-CG 3.47Å; F87-L91 PolarHBondContact O-N 3.41Å; F87-I99 HydrophobicContact CD2-CD1 4.37Å; F87-I99 HydrophobicContact CE2-CD1 4.17Å; F87-I99 HydrophobicContact CE2-CG2 4.33Å; F87-F100 HydrophobicContact CE2-CE2 4.11Å; F87-F100 HydrophobicContact CZ-CE2 4.09Å; F87-W118 HydrophobicContact CD1-CZ2 4.16Å; F87-W118 AromaticContact CE1-CH2 3.55Å; F87-W118 HydrophobicContact CE1-CH2 3.55Å; F87-W118 AromaticContact CE1-CZ2 3.37Å; F87-W118 HydrophobicContact CE1-CZ2 3.37Å; F87-W118 AromaticContact CZ-CH2 3.76Å; F87-W118 HydrophobicContact CZ-CH2 3.76Å; F87-W118 AromaticContact CZ-CZ2 3.8Å; F87-W118 HydrophobicContact CZ-CZ2 3.8Å |
| 88 | V | 85.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -69.4 | -32.5 | -177.8 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | D86 T96 F100 W118 Y121 | D86-V88 PolarHBondContact O-N 3.29Å; D86-V88 VanDerWaalsContact O-N 3.1Å; D86-V88 WeakPolarHBondContact OD1-CB 3.41Å; D86-V88 PolarHBondContact OD1-N 3.47Å; V88-T96 HydrophobicContact CB-CG2 4.35Å; V88-T96 HydrophobicContact CG1-CG2 3.81Å; V88-T96 HydrophobicContact CG2-CG2 4.31Å; V88-F100 HydrophobicContact CG2-CE2 3.86Å; V88-F100 HydrophobicContact CG2-CZ 3.87Å; V88-W118 HydrophobicContact CG2-CD2 3.93Å; V88-W118 VanDerWaalsContact CG2-CE2 3.41Å; V88-W118 HydrophobicContact CG2-CG 4.15Å; V88-W118 HydrophobicContact CG2-CZ2 3.78Å; V88-W118 VanDerWaalsContact CG2-NE1 3.3Å; V88-Y121 HydrophobicContact CG1-CD2 3.24Å; V88-Y121 HydrophobicContact CG1-CE2 3.63Å; V88-Y121 HydrophobicContact CG1-CG 4.21Å |
| 89 | T | 81.8 | Confident | 77.1 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -83.8 | -21.6 | 175.7 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | D86 F87 | D86-T89 HydrophobicContact CB-CG2 4.45Å; D86-T89 PolarHBondContact O-N 2.9Å; D86-T89 PolarHBondContact O-OG1 3.24Å; F87-T89 VanDerWaalsContact C-N 3.33Å |
| 90 | W | 79.8 | Confident | 78.8 | Confident | 211 Ų | 211 | 84.4 Ų | 84.4 | 80% | 0.799 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -88.1 | -40.2 | -178.4 | -171.4 | 57.4 | 0 | 0 | 0 | 114 | D86 F87 | D86-W90 PolarHBondContact O-N 2.93Å; F87-W90 PolarHBondContact O-N 3.05Å |
| 91 | L | 85.5 | Confident | 80.7 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -76.4 | 146 | -178.8 | -69.6 | 177.4 | 0 | 0 | 0 | 111.8 | F87 L95 T96 I99 | F87-L91 HydrophobicContact CD2-CD1 3.85Å; F87-L91 WeakPolarHBondContact O-CB 3.35Å; F87-L91 WeakPolarHBondContact O-CG 3.47Å; F87-L91 PolarHBondContact O-N 3.41Å; L91-L95 HydrophobicContact CB-CB 4.38Å; L91-L95 HydrophobicContact CD2-CD1 4.33Å; L91-T96 WeakPolarHBondContact CB-OG1 3.03Å; L91-I99 HydrophobicContact CD1-CD1 3.48Å; L91-I99 VanDerWaalsContact CD1-CD1 3.48Å |
| 92 | P | 89.5 | Confident | 82.7 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 47% | 0.474 | 40% | 0.395 | S | S | . | . | trans | -50.2 | 144.6 | 164.8 | -25.8 | 33.4 | 0 | 0 | 0 | 111.9 | E94 L95 T96 | P92-E94 WeakPolarHBondContact CB-OE2 3.49Å; P92-E94 PolarHBondContact O-N 2.84Å; P92-E94 VanDerWaalsContact O-N 3.11Å; P92-L95 HydrophobicContact CG-CD1 4.41Å; P92-L95 PolarHBondContact O-N 3.15Å; P92-T96 PolarHBondContact O-N 3.11Å; P92-T96 VanDerWaalsContact O-N 3.1Å; P92-T96 PolarHBondContact O-OG1 3.03Å | ||
| 93 | A | 88.2 | Confident | 84.4 | Confident | 35 Ų | 35 | 73.6 Ų | 73.6 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53.4 | -37.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T96 L97 Y121 | A93-T96 PolarHBondContact O-N 3Å; A93-L97 WeakPolarHBondContact O-CB 3.49Å; A93-L97 VanDerWaalsContact O-CG 3.29Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.15Å; A93-Y121 HydrophobicContact CB-CE1 3.84Å |
| 94 | E | 91.6 | Very high | 86.3 | Confident | 137 Ų | 137 | 71.2 Ų | 71.2 | 64% | 0.64 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | -179.9 | -57.8 | 77.5 | -170.5 | 0 | 0 | 111.8 | P92 R98 | P92-E94 WeakPolarHBondContact CB-OE2 3.49Å; P92-E94 PolarHBondContact O-N 2.84Å; P92-E94 VanDerWaalsContact O-N 3.11Å; E94-R98 VanDerWaalsContact O-CB 3.32Å; E94-R98 WeakPolarHBondContact O-CB 3.34Å; E94-R98 PolarHBondContact O-N 3.4Å |
| 95 | L | 90.4 | Very high | 87.8 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 178.9 | -64.1 | -173.2 | 0 | 0 | 0 | 110.8 | L91 P92 L97 R98 I99 | L91-L95 HydrophobicContact CB-CB 4.38Å; L91-L95 HydrophobicContact CD2-CD1 4.33Å; P92-L95 HydrophobicContact CG-CD1 4.41Å; P92-L95 PolarHBondContact O-N 3.15Å; L95-L97 PolarHBondContact O-N 3.43Å; L95-R98 PolarHBondContact O-N 2.73Å; L95-I99 WeakPolarHBondContact O-CG1 3.5Å; L95-I99 PolarHBondContact O-N 2.97Å |
| 96 | T | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | V88 L91 P92 A93 R98 I99 F100 Y121 | V88-T96 HydrophobicContact CB-CG2 4.35Å; V88-T96 HydrophobicContact CG1-CG2 3.81Å; V88-T96 HydrophobicContact CG2-CG2 4.31Å; L91-T96 WeakPolarHBondContact CB-OG1 3.03Å; P92-T96 PolarHBondContact O-N 3.11Å; P92-T96 VanDerWaalsContact O-N 3.1Å; P92-T96 PolarHBondContact O-OG1 3.03Å; A93-T96 PolarHBondContact O-N 3Å; T96-R98 VanDerWaalsContact C-N 3.31Å; T96-R98 PolarHBondContact O-N 2.94Å; T96-I99 PolarHBondContact O-N 3.35Å; T96-F100 HydrophobicContact CG2-CD2 4.16Å; T96-F100 HydrophobicContact CG2-CE2 4Å; T96-F100 WeakPolarHBondContact O-CB 3.48Å; T96-F100 WeakPolarHBondContact O-CD2 3.37Å; T96-F100 PolarHBondContact O-N 2.88Å; T96-Y121 HydrophobicContact CG2-CD1 3.78Å; T96-Y121 HydrophobicContact CG2-CD2 3.78Å; T96-Y121 HydrophobicContact CG2-CE1 4.2Å; T96-Y121 HydrophobicContact CG2-CE2 4.17Å; T96-Y121 HydrophobicContact CG2-CG 3.55Å |
| 97 | L | 92.9 | Very high | 89.8 | Confident | 31 Ų | 31 | 75.2 Ų | 75.2 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 176.8 | -72.8 | 175.1 | 0 | 0 | 0 | 112.4 | A93 L95 F100 S101 Y121 H124 | A93-L97 WeakPolarHBondContact O-CB 3.49Å; A93-L97 VanDerWaalsContact O-CG 3.29Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.15Å; L95-L97 PolarHBondContact O-N 3.43Å; L97-F100 PolarHBondContact O-N 2.85Å; L97-S101 WeakPolarHBondContact O-CB 3.49Å; L97-S101 PolarHBondContact O-N 3.42Å; L97-Y121 HydrophobicContact CD2-CD1 3.97Å; L97-Y121 HydrophobicContact CG-CD1 4.09Å; L97-H124 HydrophobicContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CG 3.48Å |
| 98 | R | 91.8 | Very high | 90.4 | Very high | 155 Ų | 155 | 71.6 Ų | 71.6 | 59% | 0.585 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 175.6 | -171.7 | 173.1 | -177.5 | 172.6 | 0.6 | 112.4 | E94 L95 T96 F100 S101 Y102 | E94-R98 VanDerWaalsContact O-CB 3.32Å; E94-R98 WeakPolarHBondContact O-CB 3.34Å; E94-R98 PolarHBondContact O-N 3.4Å; L95-R98 PolarHBondContact O-N 2.73Å; T96-R98 VanDerWaalsContact C-N 3.31Å; T96-R98 PolarHBondContact O-N 2.94Å; R98-F100 VanDerWaalsContact C-N 3.33Å; R98-S101 PolarHBondContact O-N 3.26Å; R98-S101 PolarHBondContact O-OG 3.36Å; R98-Y102 HydrophobicContact CG-CE2 4.05Å; R98-Y102 WeakPolarHBondContact O-CD2 3.43Å; R98-Y102 WeakPolarHBondContact O-CE2 3.46Å |
| 99 | I | 93.2 | Very high | 90.6 | Very high | 70 Ų | 70 | 74.5 Ų | 74.5 | 36% | 0.359 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 173.3 | -68.7 | 164.9 | 0 | 0 | 0 | 109.7 | F87 L91 L95 T96 S101 Y102 | F87-I99 HydrophobicContact CD2-CD1 4.37Å; F87-I99 HydrophobicContact CE2-CD1 4.17Å; F87-I99 HydrophobicContact CE2-CG2 4.33Å; L91-I99 HydrophobicContact CD1-CD1 3.48Å; L91-I99 VanDerWaalsContact CD1-CD1 3.48Å; L95-I99 WeakPolarHBondContact O-CG1 3.5Å; L95-I99 PolarHBondContact O-N 2.97Å; T96-I99 PolarHBondContact O-N 3.35Å; I99-S101 VanDerWaalsContact C-N 3.27Å; I99-S101 PolarHBondContact O-N 3.26Å; I99-Y102 PolarHBondContact O-N 3.42Å |
| 100 | F | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.4 | -27.2 | -178.5 | -81.8 | -130 | 0 | 0 | 0 | 112.6 | F87 V88 T96 L97 R98 Y102 L103 L108 C111 W118 A122 L127 | F87-F100 HydrophobicContact CE2-CE2 4.11Å; F87-F100 HydrophobicContact CZ-CE2 4.09Å; V88-F100 HydrophobicContact CG2-CE2 3.86Å; V88-F100 HydrophobicContact CG2-CZ 3.87Å; T96-F100 HydrophobicContact CG2-CD2 4.16Å; T96-F100 HydrophobicContact CG2-CE2 4Å; T96-F100 WeakPolarHBondContact O-CB 3.48Å; T96-F100 WeakPolarHBondContact O-CD2 3.37Å; T96-F100 PolarHBondContact O-N 2.88Å; L97-F100 PolarHBondContact O-N 2.85Å; R98-F100 VanDerWaalsContact C-N 3.33Å; F100-Y102 VanDerWaalsContact C-N 3.28Å; F100-Y102 PolarHBondContact O-N 3.4Å; F100-L103 HydrophobicContact CG-CD1 4.47Å; F100-L103 WeakPolarHBondContact O-CB 3.12Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.15Å; F100-L108 HydrophobicContact CB-CD2 3.91Å; F100-L108 HydrophobicContact CD1-CD2 3.54Å; F100-L108 HydrophobicContact CE1-CD2 4.42Å; F100-L108 HydrophobicContact CG-CD2 4.05Å; F100-C111 HydrophobicContact CE1-CB 4.28Å; F100-W118 HydrophobicContact CE1-CE3 4.35Å; F100-W118 HydrophobicContact CZ-CD2 4.14Å; F100-W118 AromaticContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CZ3 4.05Å; F100-A122 HydrophobicContact CD1-CB 4.17Å; F100-A122 HydrophobicContact CE1-CB 3.88Å; F100-L127 HydrophobicContact CB-CD1 3.91Å; F100-L127 HydrophobicContact CB-CD2 4.23Å |
| 101 | S | 91.7 | Very high | 91.8 | Very high | 47 Ų | 47 | 65.7 Ų | 65.7 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.7 | -22.2 | 177.2 | 76.1 | 0 | 0 | 0 | 0 | 113.9 | L97 R98 I99 L103 | L97-S101 WeakPolarHBondContact O-CB 3.49Å; L97-S101 PolarHBondContact O-N 3.42Å; R98-S101 PolarHBondContact O-N 3.26Å; R98-S101 PolarHBondContact O-OG 3.36Å; I99-S101 VanDerWaalsContact C-N 3.27Å; I99-S101 PolarHBondContact O-N 3.26Å; S101-L103 VanDerWaalsContact C-N 3.32Å |
| 102 | Y | 92 | Very high | 92.1 | Very high | 175 Ų | 175 | 64.2 Ų | 64.2 | 69% | 0.686 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14.3 | 172.2 | -66.6 | -68.5 | 0 | 0 | 0 | 113.4 | R98 I99 F100 | R98-Y102 HydrophobicContact CG-CE2 4.05Å; R98-Y102 WeakPolarHBondContact O-CD2 3.43Å; R98-Y102 WeakPolarHBondContact O-CE2 3.46Å; I99-Y102 PolarHBondContact O-N 3.42Å; F100-Y102 VanDerWaalsContact C-N 3.28Å; F100-Y102 PolarHBondContact O-N 3.4Å |
| 103 | L | 92.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 68.2 Ų | 68.2 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -80.6 | 149.6 | -179.2 | -62.9 | 173.4 | 0 | 0 | 0 | 111.4 | F100 S101 L108 F131 | F100-L103 HydrophobicContact CG-CD1 4.47Å; F100-L103 WeakPolarHBondContact O-CB 3.12Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.15Å; S101-L103 VanDerWaalsContact C-N 3.32Å; L103-L108 HydrophobicContact CB-CD2 4.13Å; L103-L108 HydrophobicContact CB-CG 4.09Å; L103-L108 HydrophobicContact CD1-CD2 4.07Å; L103-F131 WeakPolarHBondContact O-CZ 3.2Å |
| 104 | S | 92.1 | Very high | 92.3 | Very high | 54 Ų | 54 | 70.8 Ų | 70.8 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | trans | -67.3 | 151.9 | 169.3 | 83 | 0 | 0 | 0 | 0 | 110.4 | K106 S107 L108 | S104-K106 PolarHBondContact O-N 3.1Å; S104-K106 VanDerWaalsContact O-N 3.11Å; S104-K106 PolarHBondContact OG-N 2.92Å; S104-S107 WeakPolarHBondContact O-CA 3.45Å; S104-S107 WeakPolarHBondContact O-CB 3.46Å; S104-S107 PolarHBondContact O-N 3.5Å; S104-S107 PolarHBondContact OG-N 3.11Å; S104-S107 VanDerWaalsContact OG-N 3.11Å; S104-S107 PolarHBondContact OG-OG 2.65Å; S104-L108 PolarHBondContact O-N 3.22Å | ||
| 105 | W | 91.3 | Very high | 92 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -27.5 | 174.6 | 67 | -93.5 | 0 | 0 | 0 | 113.5 | L108 T109 F131 W137 F185 V189 | W105-L108 PolarHBondContact O-N 3.43Å; W105-T109 PolarHBondContact O-N 2.96Å; W105-T109 PolarHBondContact O-OG1 3.36Å; W105-F131 HydrophobicContact CB-CD2 4.38Å; W105-F131 HydrophobicContact CB-CE1 4.43Å; W105-F131 HydrophobicContact CB-CE2 4Å; W105-F131 HydrophobicContact CB-CZ 4.03Å; W105-W137 AromaticContact NE1-CZ2 3.58Å; W105-F185 HydrophobicContact CB-CE1 3.55Å; W105-F185 HydrophobicContact CB-CZ 3.77Å; W105-F185 AromaticContact CD1-CZ 3.68Å; W105-F185 AromaticContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CZ 4.16Å; W105-F185 HydrophobicContact CE3-CE1 4.39Å; W105-F185 AromaticContact CG-CE1 3.63Å; W105-F185 HydrophobicContact CG-CE1 3.63Å; W105-F185 AromaticContact CG-CZ 3.58Å; W105-F185 HydrophobicContact CG-CZ 3.58Å; W105-V189 HydrophobicContact CH2-CG1 3.62Å; W105-V189 HydrophobicContact CZ2-CG1 4.06Å; W105-V189 HydrophobicContact CZ3-CG1 3.98Å |
| 106 | K | 93 | Very high | 91.9 | Very high | 134 Ų | 134 | 71.7 Ų | 71.7 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | 173.8 | -64 | -179.7 | -177.1 | 176.9 | 0 | 111.5 | S104 L108 T109 V110 | S104-K106 PolarHBondContact O-N 3.1Å; S104-K106 VanDerWaalsContact O-N 3.11Å; S104-K106 PolarHBondContact OG-N 2.92Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-T109 WeakPolarHBondContact CA-OG1 3.28Å; K106-T109 PolarHBondContact O-N 3.11Å; K106-T109 PolarHBondContact O-OG1 3.05Å; K106-V110 PolarHBondContact O-N 2.91Å |
| 107 | S | 94 | Very high | 91.7 | Very high | 48 Ų | 48 | 73 Ų | 73 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 174.3 | -52.5 | 0 | 0 | 0 | 0 | 109.7 | S104 T109 V110 C111 | S104-S107 WeakPolarHBondContact O-CA 3.45Å; S104-S107 WeakPolarHBondContact O-CB 3.46Å; S104-S107 PolarHBondContact O-N 3.5Å; S104-S107 PolarHBondContact OG-N 3.11Å; S104-S107 VanDerWaalsContact OG-N 3.11Å; S104-S107 PolarHBondContact OG-OG 2.65Å; S107-T109 VanDerWaalsContact C-N 3.28Å; S107-T109 PolarHBondContact O-N 3.34Å; S107-V110 WeakPolarHBondContact O-CB 3.28Å; S107-V110 PolarHBondContact O-N 3.49Å; S107-C111 PolarHBondContact O-N 3.29Å; S107-C111 PolarHBondContact O-SG 3.4Å |
| 108 | L | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.8 | -34.9 | 176.1 | -69.7 | 172.5 | 0 | 0 | 0 | 113.4 | F100 L103 S104 W105 K106 C111 S112 A122 L127 F131 | F100-L108 HydrophobicContact CB-CD2 3.91Å; F100-L108 HydrophobicContact CD1-CD2 3.54Å; F100-L108 HydrophobicContact CE1-CD2 4.42Å; F100-L108 HydrophobicContact CG-CD2 4.05Å; L103-L108 HydrophobicContact CB-CD2 4.13Å; L103-L108 HydrophobicContact CB-CG 4.09Å; L103-L108 HydrophobicContact CD1-CD2 4.07Å; S104-L108 PolarHBondContact O-N 3.22Å; W105-L108 PolarHBondContact O-N 3.43Å; K106-L108 VanDerWaalsContact C-N 3.34Å; L108-C111 WeakPolarHBondContact O-CB 3.48Å; L108-C111 PolarHBondContact O-N 2.91Å; L108-S112 WeakPolarHBondContact O-CB 3.08Å; L108-S112 PolarHBondContact O-N 3.46Å; L108-A122 HydrophobicContact CD2-CB 4.49Å; L108-L127 HydrophobicContact CD1-CD1 4.12Å; L108-L127 HydrophobicContact CD2-CD1 4.14Å; L108-F131 HydrophobicContact CD1-CE2 3.53Å; L108-F131 HydrophobicContact CD1-CZ 3.82Å |
| 109 | T | 91.2 | Very high | 91.8 | Very high | 61 Ų | 61 | 69.1 Ų | 69.1 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 173.6 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | W105 K106 S107 S112 | W105-T109 PolarHBondContact O-N 2.96Å; W105-T109 PolarHBondContact O-OG1 3.36Å; K106-T109 WeakPolarHBondContact CA-OG1 3.28Å; K106-T109 PolarHBondContact O-N 3.11Å; K106-T109 PolarHBondContact O-OG1 3.05Å; S107-T109 VanDerWaalsContact C-N 3.28Å; S107-T109 PolarHBondContact O-N 3.34Å; T109-S112 PolarHBondContact O-N 3.24Å; T109-S112 PolarHBondContact O-OG 3.13Å |
| 110 | V | 93.5 | Very high | 91.7 | Very high | 94 Ų | 94 | 72.6 Ų | 72.6 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.3 | -43.5 | 175.2 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | K106 S107 S112 E113 | K106-V110 PolarHBondContact O-N 2.91Å; S107-V110 WeakPolarHBondContact O-CB 3.28Å; S107-V110 PolarHBondContact O-N 3.49Å; V110-S112 PolarHBondContact O-N 3.28Å; V110-E113 WeakPolarHBondContact O-CB 3.24Å; V110-E113 PolarHBondContact O-N 3.04Å |
| 111 | C | 92.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 74.3 Ų | 74.3 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.8 | -38.9 | 173.7 | -66 | 0 | 0 | 0 | 0 | 111.6 | F100 S107 L108 E113 V114 W118 A122 | F100-C111 HydrophobicContact CE1-CB 4.28Å; S107-C111 PolarHBondContact O-N 3.29Å; S107-C111 PolarHBondContact O-SG 3.4Å; L108-C111 WeakPolarHBondContact O-CB 3.48Å; L108-C111 PolarHBondContact O-N 2.91Å; C111-E113 PolarHBondContact O-N 2.78Å; C111-E113 VanDerWaalsContact O-N 3.13Å; C111-V114 WeakPolarHBondContact O-CG2 3.32Å; C111-V114 PolarHBondContact O-N 3.35Å; C111-W118 HydrophobicContact CB-CE3 3.65Å; C111-W118 HydrophobicContact CB-CZ3 3.93Å; C111-W118 VanDerWaalsContact O-CB 3.28Å; C111-W118 WeakPolarHBondContact O-CB 3.35Å; C111-A122 HydrophobicContact CB-CB 4.19Å |
| 112 | S | 92.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 72.1 Ų | 72.1 | 7% | 0.07 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.1 | -179.9 | 81.5 | 0 | 0 | 0 | 0 | 114.6 | L108 T109 V110 L119 | L108-S112 WeakPolarHBondContact O-CB 3.08Å; L108-S112 PolarHBondContact O-N 3.46Å; T109-S112 PolarHBondContact O-N 3.24Å; T109-S112 PolarHBondContact O-OG 3.13Å; V110-S112 PolarHBondContact O-N 3.28Å; S112-L119 WeakPolarHBondContact O-CD1 3.44Å |
| 113 | E | 91.8 | Very high | 91.6 | Very high | 156 Ų | 156 | 69 Ų | 69 | 73% | 0.729 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -4.2 | -178.8 | -64.6 | 173.7 | 174.4 | 0 | 0 | 112.9 | V110 C111 | V110-E113 WeakPolarHBondContact O-CB 3.24Å; V110-E113 PolarHBondContact O-N 3.04Å; C111-E113 PolarHBondContact O-N 2.78Å; C111-E113 VanDerWaalsContact O-N 3.13Å |
| 114 | V | 89.1 | Confident | 91.5 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 54% | 0.539 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -59.8 | -175.6 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | C111 W118 | C111-V114 WeakPolarHBondContact O-CG2 3.32Å; C111-V114 PolarHBondContact O-N 3.35Å; V114-W118 HydrophobicContact CB-CB 4.14Å; V114-W118 HydrophobicContact CB-CD2 4.09Å; V114-W118 HydrophobicContact CB-CE3 4.34Å; V114-W118 HydrophobicContact CB-CG 4.01Å; V114-W118 HydrophobicContact CG1-CD2 4.19Å; V114-W118 HydrophobicContact CG1-CG 4.17Å; V114-W118 HydrophobicContact CG2-CD2 4.3Å; V114-W118 HydrophobicContact CG2-CE3 4.08Å |
| 115 | N | 86.2 | Confident | 91.3 | Very high | 54 Ų | 54 | 68.2 Ų | 68.2 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | trans | -158.2 | -176.4 | 178.3 | 70.5 | 12.7 | 0 | 0 | 0 | 110.5 | D86 S117 W118 L119 | D86-N115 PolarHBondContact OD2-ND2 3.27Å; N115-S117 VanDerWaalsContact CG-OG 3.25Å; N115-S117 PolarHBondContact ND2-OG 3.41Å; N115-S117 VanDerWaalsContact ND2-OG 3.11Å; N115-S117 PolarHBondContact OD1-N 2.94Å; N115-S117 VanDerWaalsContact OD1-N 3.15Å; N115-S117 PolarHBondContact OD1-OG 2.81Å; N115-W118 VanDerWaalsContact OD1-CB 3.28Å; N115-W118 WeakPolarHBondContact OD1-CB 3.42Å; N115-W118 PolarHBondContact OD1-N 3.15Å; N115-L119 VanDerWaalsContact O-CB 3.24Å; N115-L119 WeakPolarHBondContact O-CB 3.47Å; N115-L119 PolarHBondContact O-N 3.01Å | ||
| 116 | K | 87.8 | Confident | 91.1 | Very high | 186 Ų | 186 | 69.1 Ų | 69.1 | 81% | 0.809 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69 | -34.9 | -178.7 | -65.6 | -178.7 | -177.9 | 176.4 | 0 | 113.9 | K120 | K116-K120 PolarHBondContact O-N 3.16Å; K116-K120 VanDerWaalsContact O-N 3.1Å |
| 117 | S | 88.5 | Confident | 91 | Very high | 27 Ų | 27 | 63.1 Ų | 63.1 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -48.6 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | D86 N115 L119 K120 Y121 | D86-S117 PolarHBondContact OD2-OG 3.1Å; N115-S117 VanDerWaalsContact CG-OG 3.25Å; N115-S117 PolarHBondContact ND2-OG 3.41Å; N115-S117 VanDerWaalsContact ND2-OG 3.11Å; N115-S117 PolarHBondContact OD1-N 2.94Å; N115-S117 VanDerWaalsContact OD1-N 3.15Å; N115-S117 PolarHBondContact OD1-OG 2.81Å; S117-L119 VanDerWaalsContact C-N 3.32Å; S117-L119 PolarHBondContact O-N 3.11Å; S117-K120 WeakPolarHBondContact O-CB 3.29Å; S117-K120 PolarHBondContact O-N 3.19Å; S117-K120 VanDerWaalsContact O-N 3.13Å; S117-Y121 WeakPolarHBondContact O-CD2 3.05Å; S117-Y121 PolarHBondContact O-N 3.13Å |
| 118 | W | 92.9 | Very high | 90.8 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 17% | 0.167 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175 | -76 | 59.7 | 0 | 0 | 0 | 112.1 | D86 F87 V88 F100 C111 V114 N115 K120 Y121 A122 | D86-W118 PolarHBondContact OD1-NE1 2.97Å; D86-W118 PolarHBondContact OD2-NE1 2.9Å; F87-W118 HydrophobicContact CD1-CZ2 4.16Å; F87-W118 AromaticContact CE1-CH2 3.55Å; F87-W118 HydrophobicContact CE1-CH2 3.55Å; F87-W118 AromaticContact CE1-CZ2 3.37Å; F87-W118 HydrophobicContact CE1-CZ2 3.37Å; F87-W118 AromaticContact CZ-CH2 3.76Å; F87-W118 HydrophobicContact CZ-CH2 3.76Å; F87-W118 AromaticContact CZ-CZ2 3.8Å; F87-W118 HydrophobicContact CZ-CZ2 3.8Å; V88-W118 HydrophobicContact CG2-CD2 3.93Å; V88-W118 VanDerWaalsContact CG2-CE2 3.41Å; V88-W118 HydrophobicContact CG2-CG 4.15Å; V88-W118 HydrophobicContact CG2-CZ2 3.78Å; V88-W118 VanDerWaalsContact CG2-NE1 3.3Å; F100-W118 HydrophobicContact CE1-CE3 4.35Å; F100-W118 HydrophobicContact CZ-CD2 4.14Å; F100-W118 AromaticContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CE3 3.76Å; F100-W118 HydrophobicContact CZ-CZ3 4.05Å; C111-W118 HydrophobicContact CB-CE3 3.65Å; C111-W118 HydrophobicContact CB-CZ3 3.93Å; C111-W118 VanDerWaalsContact O-CB 3.28Å; C111-W118 WeakPolarHBondContact O-CB 3.35Å; V114-W118 HydrophobicContact CB-CB 4.14Å; V114-W118 HydrophobicContact CB-CD2 4.09Å; V114-W118 HydrophobicContact CB-CE3 4.34Å; V114-W118 HydrophobicContact CB-CG 4.01Å; V114-W118 HydrophobicContact CG1-CD2 4.19Å; V114-W118 HydrophobicContact CG1-CG 4.17Å; V114-W118 HydrophobicContact CG2-CD2 4.3Å; V114-W118 HydrophobicContact CG2-CE3 4.08Å; N115-W118 VanDerWaalsContact OD1-CB 3.28Å; N115-W118 WeakPolarHBondContact OD1-CB 3.42Å; N115-W118 PolarHBondContact OD1-N 3.15Å; W118-K120 VanDerWaalsContact C-N 3.31Å; W118-K120 PolarHBondContact O-N 2.78Å; W118-Y121 PolarHBondContact O-N 2.71Å; W118-A122 WeakPolarHBondContact O-CB 3.22Å; W118-A122 PolarHBondContact O-N 2.89Å |
| 119 | L | 92.6 | Very high | 90.4 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.4 | -44.7 | 173.7 | 176.5 | 63.9 | 0 | 0 | 0 | 111.8 | S112 N115 S117 R123 | S112-L119 WeakPolarHBondContact O-CD1 3.44Å; N115-L119 VanDerWaalsContact O-CB 3.24Å; N115-L119 WeakPolarHBondContact O-CB 3.47Å; N115-L119 PolarHBondContact O-N 3.01Å; S117-L119 VanDerWaalsContact C-N 3.32Å; S117-L119 PolarHBondContact O-N 3.11Å; L119-R123 VanDerWaalsContact CD1-CD 3.47Å; L119-R123 HydrophobicContact CD1-CG 4.07Å; L119-R123 WeakPolarHBondContact O-CB 3.22Å; L119-R123 PolarHBondContact O-N 3.05Å; L119-R123 VanDerWaalsContact O-N 3.16Å |
| 120 | K | 91.9 | Very high | 90.2 | Very high | 144 Ų | 144 | 67.6 Ų | 67.6 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.7 | -48.3 | 178.7 | -178.3 | -175.2 | 175.6 | -175.2 | 0 | 111.7 | K116 S117 W118 H124 | K116-K120 PolarHBondContact O-N 3.16Å; K116-K120 VanDerWaalsContact O-N 3.1Å; S117-K120 WeakPolarHBondContact O-CB 3.29Å; S117-K120 PolarHBondContact O-N 3.19Å; S117-K120 VanDerWaalsContact O-N 3.13Å; W118-K120 VanDerWaalsContact C-N 3.31Å; W118-K120 PolarHBondContact O-N 2.78Å; K120-H124 PolarHBondContact O-N 3.28Å |
| 121 | Y | 92.7 | Very high | 89.9 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -79.7 | -38.2 | -177.5 | -67.8 | -74.6 | 0 | 0 | 0 | 113.2 | V88 A93 T96 L97 S117 W118 R123 H124 L127 | V88-Y121 HydrophobicContact CG1-CD2 3.24Å; V88-Y121 HydrophobicContact CG1-CE2 3.63Å; V88-Y121 HydrophobicContact CG1-CG 4.21Å; A93-Y121 HydrophobicContact CB-CE1 3.84Å; T96-Y121 HydrophobicContact CG2-CD1 3.78Å; T96-Y121 HydrophobicContact CG2-CD2 3.78Å; T96-Y121 HydrophobicContact CG2-CE1 4.2Å; T96-Y121 HydrophobicContact CG2-CE2 4.17Å; T96-Y121 HydrophobicContact CG2-CG 3.55Å; L97-Y121 HydrophobicContact CD2-CD1 3.97Å; L97-Y121 HydrophobicContact CG-CD1 4.09Å; S117-Y121 WeakPolarHBondContact O-CD2 3.05Å; S117-Y121 PolarHBondContact O-N 3.13Å; W118-Y121 PolarHBondContact O-N 2.71Å; Y121-R123 PolarHBondContact O-N 3.44Å; Y121-H124 VanDerWaalsContact O-CB 3.28Å; Y121-H124 WeakPolarHBondContact O-CB 3.41Å; Y121-H124 PolarHBondContact O-N 3.33Å; Y121-H124 VanDerWaalsContact O-N 3.16Å; Y121-L127 VanDerWaalsContact O-CD1 3.22Å; Y121-L127 WeakPolarHBondContact O-CD1 3.39Å |
| 122 | A | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -27.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F100 L108 C111 W118 Y128 | F100-A122 HydrophobicContact CD1-CB 4.17Å; F100-A122 HydrophobicContact CE1-CB 3.88Å; L108-A122 HydrophobicContact CD2-CB 4.49Å; C111-A122 HydrophobicContact CB-CB 4.19Å; W118-A122 WeakPolarHBondContact O-CB 3.22Å; W118-A122 PolarHBondContact O-N 2.89Å; A122-Y128 VanDerWaalsContact O-CE2 3.29Å; A122-Y128 WeakPolarHBondContact O-CE2 3.28Å; A122-Y128 PolarHBondContact O-OH 3.41Å |
| 123 | R | 91.1 | Very high | 89.1 | Confident | 109 Ų | 109 | 68.6 Ų | 68.6 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 11.8 | 178 | -65.6 | -169.1 | 177.8 | 167.3 | 4.7 | 113.5 | L119 Y121 L182 | L119-R123 VanDerWaalsContact CD1-CD 3.47Å; L119-R123 HydrophobicContact CD1-CG 4.07Å; L119-R123 WeakPolarHBondContact O-CB 3.22Å; L119-R123 PolarHBondContact O-N 3.05Å; L119-R123 VanDerWaalsContact O-N 3.16Å; Y121-R123 PolarHBondContact O-N 3.44Å; R123-L182 HydrophobicContact CB-CD2 4.19Å; R123-L182 HydrophobicContact CG-CD2 4.35Å |
| 124 | H | 90.3 | Very high | 88.7 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 25% | 0.25 | 31% | 0.306 | C | S | . | . | trans | -61.7 | 131.9 | -178.9 | -162.2 | -89.5 | 0 | 0 | 0 | 111.9 | L97 K120 Y121 D126 L127 Y128 | L97-H124 HydrophobicContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CG 3.48Å; K120-H124 PolarHBondContact O-N 3.28Å; Y121-H124 VanDerWaalsContact O-CB 3.28Å; Y121-H124 WeakPolarHBondContact O-CB 3.41Å; Y121-H124 PolarHBondContact O-N 3.33Å; Y121-H124 VanDerWaalsContact O-N 3.16Å; H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 IonicContact CE1-OD2 3.96Å; H124-D126 PolarHBondContact CE1-OD2 3.48Å; H124-D126 PolarHBondContact ND1-N 2.94Å; H124-D126 IonicContact ND1-OD2 3.37Å; H124-D126 PolarHBondContact ND1-OD2 3.16Å; H124-D126 PolarHBondContact O-N 3.3Å; H124-L127 HydrophobicContact CB-CD1 4.42Å; H124-L127 HydrophobicContact CB-CG 4.44Å; H124-L127 PolarHBondContact O-N 3.1Å; H124-Y128 VanDerWaalsContact O-CD2 3.26Å; H124-Y128 WeakPolarHBondContact O-CD2 3.46Å | ||
| 125 | P | 87.4 | Confident | 88.2 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54 | -38.9 | -174.7 | -28.2 | 34.8 | 0 | 0 | 0 | 114.7 | L127 Y128 K129 W181 | P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 3.29Å; P125-Y128 PolarHBondContact O-N 3.39Å; P125-Y128 VanDerWaalsContact O-N 3.08Å; P125-K129 PolarHBondContact O-N 2.95Å; P125-W181 WeakPolarHBondContact O-CB 3.39Å |
| 126 | D | 87.5 | Confident | 88 | Confident | 88 Ų | 88 | 71 Ų | 71 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -34.2 | -177.1 | -68 | -32.6 | 0 | 0 | 0 | 114.2 | H124 Y128 K129 H130 | H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 IonicContact CE1-OD2 3.96Å; H124-D126 PolarHBondContact CE1-OD2 3.48Å; H124-D126 PolarHBondContact ND1-N 2.94Å; H124-D126 IonicContact ND1-OD2 3.37Å; H124-D126 PolarHBondContact ND1-OD2 3.16Å; H124-D126 PolarHBondContact O-N 3.3Å; D126-Y128 VanDerWaalsContact C-N 3.29Å; D126-Y128 PolarHBondContact O-N 3.43Å; D126-K129 PolarHBondContact O-N 2.72Å; D126-H130 WeakPolarHBondContact O-CB 3.29Å; D126-H130 PolarHBondContact O-N 3.03Å |
| 127 | L | 90.6 | Very high | 87.7 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176 | -63.3 | 177.9 | 0 | 0 | 0 | 110.4 | F100 L108 Y121 H124 P125 H130 F131 | F100-L127 HydrophobicContact CB-CD1 3.91Å; F100-L127 HydrophobicContact CB-CD2 4.23Å; L108-L127 HydrophobicContact CD1-CD1 4.12Å; L108-L127 HydrophobicContact CD2-CD1 4.14Å; Y121-L127 VanDerWaalsContact O-CD1 3.22Å; Y121-L127 WeakPolarHBondContact O-CD1 3.39Å; H124-L127 HydrophobicContact CB-CD1 4.42Å; H124-L127 HydrophobicContact CB-CG 4.44Å; H124-L127 PolarHBondContact O-N 3.1Å; P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 3.29Å; L127-H130 WeakPolarHBondContact O-CB 3.46Å; L127-H130 PolarHBondContact O-N 2.85Å; L127-F131 WeakPolarHBondContact O-CD2 3.39Å; L127-F131 PolarHBondContact O-N 3.36Å |
| 128 | Y | 88.7 | Confident | 87.1 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -78.8 | -30.3 | -178.5 | -60 | -84.3 | 0 | 0 | 0 | 112.7 | A122 H124 P125 D126 F131 C132 L182 F185 | A122-Y128 VanDerWaalsContact O-CE2 3.29Å; A122-Y128 WeakPolarHBondContact O-CE2 3.28Å; A122-Y128 PolarHBondContact O-OH 3.41Å; H124-Y128 VanDerWaalsContact O-CD2 3.26Å; H124-Y128 WeakPolarHBondContact O-CD2 3.46Å; P125-Y128 PolarHBondContact O-N 3.39Å; P125-Y128 VanDerWaalsContact O-N 3.08Å; D126-Y128 VanDerWaalsContact C-N 3.29Å; D126-Y128 PolarHBondContact O-N 3.43Å; Y128-F131 HydrophobicContact CD1-CD2 4.25Å; Y128-F131 PolarHBondContact O-N 2.9Å; Y128-C132 WeakPolarHBondContact O-CB 3.36Å; Y128-C132 PolarHBondContact O-N 2.75Å; Y128-C132 PolarHBondContact O-SG 2.92Å; Y128-L182 HydrophobicContact CD1-CD1 3.75Å; Y128-L182 HydrophobicContact CD2-CB 4.17Å; Y128-L182 HydrophobicContact CD2-CD1 3.82Å; Y128-L182 HydrophobicContact CE1-CD1 3.4Å; Y128-L182 VanDerWaalsContact CE1-CD1 3.4Å; Y128-L182 HydrophobicContact CE2-CD1 3.56Å; Y128-L182 HydrophobicContact CG-CB 4.28Å; Y128-L182 HydrophobicContact CG-CD1 3.93Å; Y128-F185 HydrophobicContact CD1-CB 3.83Å; Y128-F185 AromaticContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CE1 4.36Å; Y128-F185 AromaticContact CD1-CG 3.83Å; Y128-F185 HydrophobicContact CD1-CG 3.83Å; Y128-F185 AromaticContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CE1 4.49Å; Y128-F185 HydrophobicContact CG-CB 4.41Å |
| 129 | K | 86.9 | Confident | 85.7 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -50.4 | 167 | -175.8 | 178.8 | 179 | -176.9 | 0 | 109.9 | P125 D126 F131 C132 M133 W181 | P125-K129 PolarHBondContact O-N 2.95Å; D126-K129 PolarHBondContact O-N 2.72Å; K129-F131 PolarHBondContact O-N 3Å; K129-C132 PolarHBondContact O-N 3.3Å; K129-C132 VanDerWaalsContact O-N 3.11Å; K129-M133 VanDerWaalsContact O-CG 3.31Å; K129-M133 WeakPolarHBondContact O-CG 3.44Å; K129-M133 PolarHBondContact O-N 3.31Å; K129-M133 VanDerWaalsContact O-N 3.13Å; K129-W181 HydrophobicContact CB-CB 4.32Å; K129-W181 HydrophobicContact CB-CD2 3.69Å; K129-W181 HydrophobicContact CB-CE3 4.24Å; K129-W181 HydrophobicContact CB-CG 3.7Å; K129-W181 HydrophobicContact CD-CZ2 4.14Å; K129-W181 HydrophobicContact CG-CD2 3.88Å; K129-W181 HydrophobicContact CG-CE3 4.31Å; K129-W181 HydrophobicContact CG-CG 4.35Å; K129-W181 HydrophobicContact CG-CH2 4.3Å; K129-W181 HydrophobicContact CG-CZ2 3.88Å; K129-W181 HydrophobicContact CG-CZ3 4.5Å |
| 130 | H | 86.9 | Confident | 83.9 | Confident | 98 Ų | 98 | 66 Ų | 66 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.8 | -49.3 | 176.2 | 178.7 | 76.5 | 0 | 0 | 0 | 111.6 | D126 L127 C132 M133 L134 | D126-H130 WeakPolarHBondContact O-CB 3.29Å; D126-H130 PolarHBondContact O-N 3.03Å; L127-H130 WeakPolarHBondContact O-CB 3.46Å; L127-H130 PolarHBondContact O-N 2.85Å; H130-C132 VanDerWaalsContact C-N 3.28Å; H130-C132 PolarHBondContact O-N 3.19Å; H130-M133 PolarHBondContact O-N 3.42Å; H130-L134 PolarHBondContact O-N 3.27Å |
| 131 | F | 87.2 | Confident | 82 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 7% | 0.066 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 175.9 | -71.8 | -57.2 | 0 | 0 | 0 | 112.5 | L103 W105 L108 L127 Y128 K129 M133 L134 W137 F185 | L103-F131 WeakPolarHBondContact O-CZ 3.2Å; W105-F131 HydrophobicContact CB-CD2 4.38Å; W105-F131 HydrophobicContact CB-CE1 4.43Å; W105-F131 HydrophobicContact CB-CE2 4Å; W105-F131 HydrophobicContact CB-CZ 4.03Å; L108-F131 HydrophobicContact CD1-CE2 3.53Å; L108-F131 HydrophobicContact CD1-CZ 3.82Å; L127-F131 WeakPolarHBondContact O-CD2 3.39Å; L127-F131 PolarHBondContact O-N 3.36Å; Y128-F131 HydrophobicContact CD1-CD2 4.25Å; Y128-F131 PolarHBondContact O-N 2.9Å; K129-F131 PolarHBondContact O-N 3Å; F131-M133 PolarHBondContact O-N 3.43Å; F131-L134 HydrophobicContact CD1-CD1 4Å; F131-L134 WeakPolarHBondContact O-CB 3.35Å; F131-L134 PolarHBondContact O-N 3.44Å; F131-W137 VanDerWaalsContact O-CB 3.25Å; F131-W137 WeakPolarHBondContact O-CB 3.36Å; F131-F185 HydrophobicContact CB-CD2 3.61Å; F131-F185 HydrophobicContact CB-CE2 3.43Å; F131-F185 VanDerWaalsContact CB-CE2 3.43Å; F131-F185 HydrophobicContact CB-CG 4.41Å; F131-F185 HydrophobicContact CB-CZ 4.09Å; F131-F185 HydrophobicContact CD2-CZ 4.44Å; F131-F185 HydrophobicContact CG-CD2 4.45Å; F131-F185 HydrophobicContact CG-CE2 4.01Å; F131-F185 HydrophobicContact CG-CZ 4.17Å |
| 132 | C | 84.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.2 | -13.4 | 179.6 | -71.3 | 0 | 0 | 0 | 0 | 114.3 | Y128 K129 H130 S138 W181 R188 | Y128-C132 WeakPolarHBondContact O-CB 3.36Å; Y128-C132 PolarHBondContact O-N 2.75Å; Y128-C132 PolarHBondContact O-SG 2.92Å; K129-C132 PolarHBondContact O-N 3.3Å; K129-C132 VanDerWaalsContact O-N 3.11Å; H130-C132 VanDerWaalsContact C-N 3.28Å; H130-C132 PolarHBondContact O-N 3.19Å; C132-S138 VanDerWaalsContact O-CA 3.27Å; C132-S138 WeakPolarHBondContact O-CA 3.49Å; C132-W181 HydrophobicContact CB-CE3 4.02Å; C132-W181 HydrophobicContact CB-CZ3 4.07Å; C132-R188 PolarHBondContact O-NH1 3.19Å; C132-R188 VanDerWaalsContact O-NH1 3.07Å |
| 133 | M | 83.7 | Confident | 77.2 | Confident | 126 Ų | 126 | 76.7 Ų | 76.7 | 62% | 0.621 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -93 | -17.5 | 174.5 | -64.8 | -67.2 | -73.5 | 0 | 0 | 112.6 | K129 H130 F131 | K129-M133 VanDerWaalsContact O-CG 3.31Å; K129-M133 WeakPolarHBondContact O-CG 3.44Å; K129-M133 PolarHBondContact O-N 3.31Å; K129-M133 VanDerWaalsContact O-N 3.13Å; H130-M133 PolarHBondContact O-N 3.42Å; F131-M133 PolarHBondContact O-N 3.43Å |
| 134 | L | 83.3 | Confident | 74.4 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -67.2 | 142.7 | 177.5 | -66.8 | 175.5 | 0 | 0 | 0 | 111.1 | H130 F131 K136 W137 S138 | H130-L134 PolarHBondContact O-N 3.27Å; F131-L134 HydrophobicContact CD1-CD1 4Å; F131-L134 WeakPolarHBondContact O-CB 3.35Å; F131-L134 PolarHBondContact O-N 3.44Å; L134-K136 PolarHBondContact O-N 2.93Å; L134-W137 CarbonylContact O-C 3.6Å; L134-W137 PolarHBondContact O-N 3.42Å; L134-S138 WeakPolarHBondContact O-CB 3.46Å; L134-S138 PolarHBondContact O-N 3.41Å; L134-S138 PolarHBondContact O-OG 3.01Å |
| 135 | P | 78.3 | Confident | 71.5 | Confident | 117 Ų | 117 | 81.1 Ų | 81.1 | 76% | 0.76 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.2 | -179 | -28.2 | 34 | 0 | 0 | 0 | 114.9 | W137 S138 | P135-W137 PolarHBondContact O-N 3.05Å; P135-S138 WeakPolarHBondContact CA-OG 3.25Å; P135-S138 PolarHBondContact O-OG 3.29Å |
| 136 | K | 81.5 | Confident | 68.8 | Low | 170 Ų | 170 | 86.2 Ų | 86.2 | 74% | 0.739 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.9 | 179.1 | -70.6 | -176.5 | 178.9 | 175.5 | 0 | 113.5 | L134 | L134-K136 PolarHBondContact O-N 2.93Š|
| 137 | W | 83 | Confident | 65.9 | Low | 36 Ų | 36 | 88.3 Ų | 88.3 | 14% | 0.136 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -7.6 | -171.3 | -63.1 | 112 | 0 | 0 | 0 | 112.7 | W105 F131 L134 P135 F185 R188 V189 R192 | W105-W137 AromaticContact NE1-CZ2 3.58Å; F131-W137 VanDerWaalsContact O-CB 3.25Å; F131-W137 WeakPolarHBondContact O-CB 3.36Å; L134-W137 CarbonylContact O-C 3.6Å; L134-W137 PolarHBondContact O-N 3.42Å; P135-W137 PolarHBondContact O-N 3.05Å; W137-F185 HydrophobicContact CB-CE2 4.31Å; W137-F185 AromaticContact CD1-CE2 3.92Å; W137-F185 AromaticContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CZ 4.23Å; W137-F185 AromaticContact CE2-CE2 3.86Å; W137-F185 AromaticContact CE2-CZ 3.99Å; W137-F185 HydrophobicContact CE3-CE2 4.13Å; W137-F185 AromaticContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CZ2-CE2 4.49Å; W137-F185 HydrophobicContact CZ2-CZ 4.25Å; W137-F185 AromaticContact NE1-CE2 3.98Å; W137-R188 HydrophobicContact CE3-CB 4.19Å; W137-R188 VanDerWaalsContact O-CD 3.24Å; W137-R188 WeakPolarHBondContact O-CD 3.43Å; W137-R188 PolarHBondContact O-NH1 2.67Å; W137-V189 HydrophobicContact CE3-CG2 4.43Å; W137-V189 HydrophobicContact CH2-CB 4.28Å; W137-V189 HydrophobicContact CH2-CG2 3.61Å; W137-V189 HydrophobicContact CZ2-CG2 4.26Å; W137-V189 HydrophobicContact CZ3-CB 4.27Å; W137-V189 HydrophobicContact CZ3-CG2 3.71Å; W137-R192 HydrophobicContact CZ3-CB 4.16Å |
| 138 | S | 74.2 | Confident | 62.9 | Low | 37 Ų | 37 | 97.6 Ų | 97.6 | 26% | 0.259 | 48% | 0.483 | S | S | . | . | trans | -67 | 144.7 | 179.3 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | C132 L134 P135 | C132-S138 VanDerWaalsContact O-CA 3.27Å; C132-S138 WeakPolarHBondContact O-CA 3.49Å; L134-S138 WeakPolarHBondContact O-CB 3.46Å; L134-S138 PolarHBondContact O-N 3.41Å; L134-S138 PolarHBondContact O-OG 3.01Å; P135-S138 WeakPolarHBondContact CA-OG 3.25Å; P135-S138 PolarHBondContact O-OG 3.29Å | ||
| 139 | S | 64.4 | Low | 59.7 | Low | 25 Ų | 25 | 103.3 Ų | 103.3 | 18% | 0.175 | 51% | 0.514 | C | S | . | . | trans | -69.4 | 136.7 | 167.8 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | I141 L142 | S139-I141 PolarHBondContact O-N 3.4Å; S139-I141 VanDerWaalsContact O-N 3.13Å; S139-I141 PolarHBondContact OG-N 3.42Å; S139-L142 PolarHBondContact O-N 3.43Å; S139-L142 VanDerWaalsContact O-N 3.11Å | ||
| 140 | P | 54.2 | Low | 56.7 | Low | 114 Ų | 114 | 101.5 Ų | 101.5 | 74% | 0.74 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -54.2 | -28.9 | 170.3 | -25.1 | 34.3 | 0 | 0 | 0 | 113.1 | R143 | P140-R143 VanDerWaalsContact O-CB 3.32Å; P140-R143 WeakPolarHBondContact O-CB 3.49Å; P140-R143 PolarHBondContact O-N 3.12Å |
| 141 | I | 52.4 | Low | 53.9 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 61% | 0.605 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -73.7 | -32.9 | -178.4 | -56.5 | 166.2 | 0 | 0 | 0 | 111.2 | S139 R143 | S139-I141 PolarHBondContact O-N 3.4Å; S139-I141 VanDerWaalsContact O-N 3.13Å; S139-I141 PolarHBondContact OG-N 3.42Å; I141-R143 PolarHBondContact O-N 2.9Å |
| 142 | L | 45.9 | Very low | 50.9 | Low | 76 Ų | 76 | 109.5 Ų | 109.5 | 40% | 0.398 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -73.8 | -6.6 | 176.4 | -67.6 | 173.6 | 0 | 0 | 0 | 112.7 | S139 K144 | S139-L142 PolarHBondContact O-N 3.43Å; S139-L142 VanDerWaalsContact O-N 3.11Å; L142-K144 PolarHBondContact O-N 3.14Å |
| 143 | R | 39.5 | Very low | 48.1 | Very low | 211 Ų | 211 | 119 Ų | 119 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -76.1 | -8.2 | 179.1 | -132.4 | -174.1 | 121.4 | 167.7 | 3.6 | 113.4 | P140 I141 P145 | P140-R143 VanDerWaalsContact O-CB 3.32Å; P140-R143 WeakPolarHBondContact O-CB 3.49Å; P140-R143 PolarHBondContact O-N 3.12Å; I141-R143 PolarHBondContact O-N 2.9Å; R143-P145 WeakPolarHBondContact O-CD 3.33Å |
| 144 | K | 32.5 | Very low | 45.3 | Very low | 147 Ų | 147 | 117.9 Ų | 117.9 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -71.3 | 108.7 | 162.7 | -72.6 | -170 | 178 | -173.4 | 0 | 106.4 | L142 Q146 | L142-K144 PolarHBondContact O-N 3.14Å; K144-Q146 PolarHBondContact O-N 3.08Å |
| 145 | P | 29.3 | Very low | 42.5 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 71% | 0.714 | 64% | 0.637 | S | S | * | * | trans | -63.1 | 102.2 | 160.2 | 1.7 | 17.7 | 0 | 0 | 0 | 103.2 | R143 L147 | R143-P145 WeakPolarHBondContact O-CD 3.33Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 2.89Å | ||
| 146 | Q | 31.6 | Very low | 40 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | trans | -52.6 | 111.6 | 154.1 | -68.9 | -67.9 | -11.9 | 0 | 0 | 102.9 | K144 F148 | K144-Q146 PolarHBondContact O-N 3.08Å; Q146-F148 PolarHBondContact O-N 3.3Å | ||
| 147 | L | 26.4 | Very low | 37.4 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | trans | -57 | 89.6 | 167.6 | -82.7 | 90.3 | 0 | 0 | 0 | 104.9 | P145 N149 | P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 2.89Å; L147-N149 HydrophobicContact CB-CB 4.43Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.47Å; L147-N149 PolarHBondContact O-N 3.22Å | ||
| 148 | F | 26 | Very low | 34.6 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 89% | 0.886 | 68% | 0.677 | S | S | * | * | trans | -74.8 | 60.9 | 160.3 | -139.9 | -90.9 | 0 | 0 | 0 | 105.3 | Q146 G150 | Q146-F148 PolarHBondContact O-N 3.3Å; F148-G150 PolarHBondContact O-N 3.48Å | ||
| 149 | N | 23.1 | Very low | 32.4 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 69% | 0.69 | 70% | 0.701 | S | S | * | * | trans | -73.6 | 109 | 167.6 | -92.7 | 4.9 | 0 | 0 | 0 | 105.9 | L147 | L147-N149 HydrophobicContact CB-CB 4.43Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.47Å; L147-N149 PolarHBondContact O-N 3.22Å | ||
| 150 | G | 23.6 | Very low | 30.4 | Very low | 58 Ų | 58 | 148.3 Ų | 148.3 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | trans | 53.2 | 84.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | F148 | F148-G150 PolarHBondContact O-N 3.48Š| ||
| 151 | I | 28 | Very low | 29.2 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -116.5 | 64.8 | 133.6 | -53.7 | 176.3 | 0 | 0 | 0 | 106.4 | ||||
| 152 | T | 24.1 | Very low | 27.9 | Very low | 116 Ų | 116 | 149 Ų | 149 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | -107.6 | 116.3 | 152.6 | 51.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 153 | K | 25.2 | Very low | 26.9 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | trans | 73.7 | 102.8 | 159.4 | -53.3 | 174 | 179.3 | -177.5 | 0 | 116.4 | ||||
| 154 | S | 25.2 | Very low | 26.3 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | -170.2 | 135.7 | 123.6 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 155 | N | 24.6 | Very low | 25.9 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 91.7 | 86.1 | 161.9 | -47 | -16.8 | 0 | 0 | 0 | 112.9 | ||||
| 156 | E | 25.8 | Very low | 25.8 | Very low | 178 Ų | 178 | 157 Ų | 157 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | 41.3 | 68.2 | 59.8 | -82.8 | -171.8 | 172.5 | 0 | 0 | 111.7 | |||||
| 157 | Y | 27.7 | Very low | 25.5 | Very low | 202 Ų | 202 | 158.6 Ų | 158.6 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -140.4 | 96.7 | 149.1 | -102.4 | -84.1 | 0 | 0 | 0 | 109 | H159 | Y157-H159 PolarHBondContact O-N 3.18Å; Y157-H159 VanDerWaalsContact O-N 3.08Å | ||
| 158 | N | 23.8 | Very low | 25.4 | Very low | 158 Ų | 158 | 159 Ų | 159 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -67.3 | 93.8 | 171.8 | -73 | -50.1 | 0 | 0 | 0 | 109.6 | ||||
| 159 | H | 26.3 | Very low | 25.5 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -103.7 | 102 | 157.7 | -89.9 | -67.5 | 0 | 0 | 0 | 109.3 | Y157 V161 | Y157-H159 PolarHBondContact O-N 3.18Å; Y157-H159 VanDerWaalsContact O-N 3.08Å; H159-V161 PolarHBondContact O-N 2.95Å | ||
| 160 | R | 23.1 | Very low | 25.8 | Very low | 248 Ų | 248 | 155.9 Ų | 155.9 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -58.3 | 117.1 | 168.1 | -75.6 | 178.4 | 175.2 | -176 | -2 | 108.9 | ||||
| 161 | V | 28.6 | Very low | 26.2 | Very low | 127 Ų | 127 | 160 Ų | 160 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -128.5 | 139.2 | 162 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | H159 | H159-V161 PolarHBondContact O-N 2.95Š| ||
| 162 | P | 25.4 | Very low | 26.7 | Very low | 120 Ų | 120 | 159.7 Ų | 159.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -72.5 | 151.1 | -157.3 | -16.8 | 32.1 | 0 | 0 | 0 | 115.1 | E164 | P162-E164 PolarHBondContact O-N 3.46Å; P162-E164 VanDerWaalsContact O-N 3.14Å | ||
| 163 | E | 25.6 | Very low | 27.2 | Very low | 194 Ų | 194 | 160.8 Ų | 160.8 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -63.3 | 96.8 | 179.5 | -62.6 | 172.2 | 149.3 | 0 | 0 | 112.4 | ||||
| 164 | E | 25.5 | Very low | 27.7 | Very low | 174 Ų | 174 | 157.8 Ų | 157.8 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -136.3 | 124.6 | 161.2 | -71.9 | -170.7 | 169.4 | 0 | 0 | 111 | P162 | P162-E164 PolarHBondContact O-N 3.46Å; P162-E164 VanDerWaalsContact O-N 3.14Å | ||
| 165 | N | 25.5 | Very low | 28.3 | Very low | 145 Ų | 145 | 160.5 Ų | 160.5 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 82.1 | 69.1 | 165.6 | -55.1 | -34.7 | 0 | 0 | 0 | 118.8 | Q167 | N165-Q167 PolarHBondContact O-N 3.29Š| ||
| 166 | Q | 26.2 | Very low | 29.2 | Very low | 198 Ų | 198 | 161.5 Ų | 161.5 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 20.3 | 168.2 | -91.9 | -176 | -2.6 | 0 | 0 | 116.4 | ||
| 167 | Q | 25.8 | Very low | 30.4 | Very low | 183 Ų | 183 | 159.8 Ų | 159.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 6 | -172.7 | -85.3 | -172.3 | -8.4 | 0 | 0 | 117.8 | N165 | N165-Q167 PolarHBondContact O-N 3.29Š|
| 168 | N | 25.4 | Very low | 32 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -137.2 | 15.3 | 178.9 | -97.3 | -23.4 | 0 | 0 | 0 | 117.4 | N170 | N168-N170 PolarHBondContact O-N 2.92Š|
| 169 | S | 28.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 11.3 | -174.2 | -52 | 0 | 0 | 0 | 0 | 116.1 | ||
| 170 | N | 27.8 | Very low | 37 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -2.5 | -178.4 | -77.2 | -10.8 | 0 | 0 | 0 | 115.4 | N168 | N168-N170 PolarHBondContact O-N 2.92Š|
| 171 | N | 32.3 | Very low | 40 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -104 | 5.6 | -171.1 | -75.4 | -10.5 | 0 | 0 | 0 | 116.2 | ||
| 172 | L | 38.5 | Very low | 42.7 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -117.8 | 0.6 | -170.1 | -87.2 | 155.5 | 0 | 0 | 0 | 118 | ||
| 173 | I | 35.2 | Very low | 45.4 | Very low | 138 Ų | 138 | 133 Ų | 133 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -124.8 | -12.4 | -175.1 | -62 | -178.5 | 0 | 0 | 0 | 116.8 | N175 | I173-N175 PolarHBondContact O-N 3.45Š|
| 174 | N | 35.1 | Very low | 48.1 | Very low | 137 Ų | 137 | 125 Ų | 125 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | trans | -104.2 | 35.1 | -171.3 | -69.3 | -14.7 | 0 | 0 | 0 | 116.5 | H176 | N174-H176 PolarHBondContact O-N 3.44Å; N174-H176 VanDerWaalsContact O-N 3.08Å | ||
| 175 | N | 37.5 | Very low | 51 | Low | 159 Ų | 159 | 117 Ų | 117 | 85% | 0.85 | 61% | 0.605 | S | S | * | * | trans | -77.2 | 33.9 | 155.5 | -76.4 | -11.8 | 0 | 0 | 0 | 111.4 | I173 L177 | I173-N175 PolarHBondContact O-N 3.45Å; N175-L177 PolarHBondContact O-N 3.17Å | ||
| 176 | H | 44.2 | Very low | 54 | Low | 156 Ų | 156 | 114.8 Ų | 114.8 | 72% | 0.722 | 59% | 0.588 | S | S | * | * | trans | -59.6 | 90.7 | 154.9 | -86 | -75.5 | 0 | 0 | 0 | 105.7 | N174 E178 | N174-H176 PolarHBondContact O-N 3.44Å; N174-H176 VanDerWaalsContact O-N 3.08Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.08Å | ||
| 177 | L | 51.3 | Low | 56.7 | Low | 142 Ų | 142 | 108 Ų | 108 | 74% | 0.743 | 56% | 0.556 | S | S | * | * | trans | -47.7 | 100.3 | 172.4 | -72 | 163.1 | 0 | 0 | 0 | 106.6 | N175 I179 | N175-L177 PolarHBondContact O-N 3.17Å; L177-I179 PolarHBondContact O-N 2.92Å | ||
| 178 | E | 60.5 | Low | 59.7 | Low | 160 Ų | 160 | 100.5 Ų | 100.5 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | trans | -64.5 | 106.4 | -176.4 | -168 | -176.4 | 168.3 | 0 | 0 | 106.2 | H176 N180 | H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.08Å; E178-N180 PolarHBondContact O-N 3.45Å | ||
| 179 | I | 74.5 | Confident | 62.7 | Low | 69 Ų | 69 | 95 Ų | 95 | 35% | 0.354 | 49% | 0.491 | S | S | . | . | trans | -62.6 | 118.5 | -177.3 | -62.9 | 173.4 | 0 | 0 | 0 | 106.8 | L177 W181 V184 I287 | L177-I179 PolarHBondContact O-N 2.92Å; I179-W181 HydrophobicContact CB-CD2 4.44Å; I179-W181 HydrophobicContact CB-CZ2 4.16Å; I179-W181 HydrophobicContact CD1-CH2 4.34Å; I179-W181 HydrophobicContact CD1-CZ2 3.93Å; I179-W181 HydrophobicContact CG2-CD2 3.92Å; I179-W181 HydrophobicContact CG2-CE3 4.22Å; I179-W181 HydrophobicContact CG2-CG 4.37Å; I179-W181 HydrophobicContact CG2-CH2 4.36Å; I179-W181 HydrophobicContact CG2-CZ2 4.07Å; I179-W181 HydrophobicContact CG2-CZ3 4.44Å; I179-W181 PolarHBondContact O-N 3.36Å; I179-V184 HydrophobicContact CG2-CG2 4.24Å; I179-I287 HydrophobicContact CD1-CD1 4.24Å | ||
| 180 | N | 82.1 | Confident | 65.5 | Low | 94 Ų | 94 | 91.9 Ų | 91.9 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | trans | -71.9 | 80.3 | 174.8 | -172.5 | -28.1 | 0 | 0 | 0 | 110 | E178 L182 N183 V184 | E178-N180 PolarHBondContact O-N 3.45Å; N180-L182 PolarHBondContact O-N 3.4Å; N180-L182 PolarHBondContact OD1-N 3.47Å; N180-N183 HydrophobicContact CB-CB 4.22Å; N180-N183 PolarHBondContact O-N 2.91Å; N180-N183 WeakPolarHBondContact OD1-CB 3.26Å; N180-N183 PolarHBondContact OD1-N 2.86Å; N180-V184 PolarHBondContact O-N 3.47Å; N180-V184 VanDerWaalsContact O-N 3.09Å | ||
| 181 | W | 84.2 | Confident | 68.4 | Low | 43 Ų | 43 | 86.7 Ų | 86.7 | 16% | 0.163 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58 | -33.4 | -178.4 | -68.5 | 107.4 | 0 | 0 | 0 | 112.8 | P125 K129 C132 I179 V184 F185 | P125-W181 WeakPolarHBondContact O-CB 3.39Å; K129-W181 HydrophobicContact CB-CB 4.32Å; K129-W181 HydrophobicContact CB-CD2 3.69Å; K129-W181 HydrophobicContact CB-CE3 4.24Å; K129-W181 HydrophobicContact CB-CG 3.7Å; K129-W181 HydrophobicContact CD-CZ2 4.14Å; K129-W181 HydrophobicContact CG-CD2 3.88Å; K129-W181 HydrophobicContact CG-CE3 4.31Å; K129-W181 HydrophobicContact CG-CG 4.35Å; K129-W181 HydrophobicContact CG-CH2 4.3Å; K129-W181 HydrophobicContact CG-CZ2 3.88Å; K129-W181 HydrophobicContact CG-CZ3 4.5Å; C132-W181 HydrophobicContact CB-CE3 4.02Å; C132-W181 HydrophobicContact CB-CZ3 4.07Å; I179-W181 HydrophobicContact CB-CD2 4.44Å; I179-W181 HydrophobicContact CB-CZ2 4.16Å; I179-W181 HydrophobicContact CD1-CH2 4.34Å; I179-W181 HydrophobicContact CD1-CZ2 3.93Å; I179-W181 HydrophobicContact CG2-CD2 3.92Å; I179-W181 HydrophobicContact CG2-CE3 4.22Å; I179-W181 HydrophobicContact CG2-CG 4.37Å; I179-W181 HydrophobicContact CG2-CH2 4.36Å; I179-W181 HydrophobicContact CG2-CZ2 4.07Å; I179-W181 HydrophobicContact CG2-CZ3 4.44Å; I179-W181 PolarHBondContact O-N 3.36Å; W181-V184 PolarHBondContact O-N 3.31Å; W181-F185 WeakPolarHBondContact O-CB 3.45Å; W181-F185 PolarHBondContact O-N 2.92Å |
| 182 | L | 85.9 | Confident | 71.1 | Confident | 26 Ų | 26 | 87.3 Ų | 87.3 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 175 | 177.3 | 64.1 | 0 | 0 | 0 | 111.1 | R123 Y128 N180 F185 K186 | R123-L182 HydrophobicContact CB-CD2 4.19Å; R123-L182 HydrophobicContact CG-CD2 4.35Å; Y128-L182 HydrophobicContact CD1-CD1 3.75Å; Y128-L182 HydrophobicContact CD2-CB 4.17Å; Y128-L182 HydrophobicContact CD2-CD1 3.82Å; Y128-L182 HydrophobicContact CE1-CD1 3.4Å; Y128-L182 VanDerWaalsContact CE1-CD1 3.4Å; Y128-L182 HydrophobicContact CE2-CD1 3.56Å; Y128-L182 HydrophobicContact CG-CB 4.28Å; Y128-L182 HydrophobicContact CG-CD1 3.93Å; N180-L182 PolarHBondContact O-N 3.4Å; N180-L182 PolarHBondContact OD1-N 3.47Å; L182-F185 PolarHBondContact O-N 2.91Å; L182-K186 HydrophobicContact CD1-CD 4.42Å; L182-K186 HydrophobicContact CD1-CG 4.48Å; L182-K186 HydrophobicContact CG-CD 4.23Å; L182-K186 WeakPolarHBondContact O-CB 3.24Å; L182-K186 VanDerWaalsContact O-CG 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.42Å; L182-K186 PolarHBondContact O-N 3.16Å |
| 183 | N | 82.3 | Confident | 73.6 | Confident | 64 Ų | 64 | 86.5 Ų | 86.5 | 34% | 0.342 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 179.2 | -166.6 | 20.1 | 0 | 0 | 0 | 111.9 | N180 F185 K186 K187 | N180-N183 HydrophobicContact CB-CB 4.22Å; N180-N183 PolarHBondContact O-N 2.91Å; N180-N183 WeakPolarHBondContact OD1-CB 3.26Å; N180-N183 PolarHBondContact OD1-N 2.86Å; N183-F185 PolarHBondContact O-N 2.94Å; N183-K186 PolarHBondContact O-N 2.88Å; N183-K187 WeakPolarHBondContact O-CG 3.24Å; N183-K187 PolarHBondContact O-N 2.99Å |
| 184 | V | 83.2 | Confident | 76.3 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.8 | -51.5 | 173.7 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | I179 N180 W181 K186 K187 R188 E289 | I179-V184 HydrophobicContact CG2-CG2 4.24Å; N180-V184 PolarHBondContact O-N 3.47Å; N180-V184 VanDerWaalsContact O-N 3.09Å; W181-V184 PolarHBondContact O-N 3.31Å; V184-K186 PolarHBondContact O-N 3.11Å; V184-K187 PolarHBondContact O-N 3.26Å; V184-R188 WeakPolarHBondContact O-CG 3.38Å; V184-R188 PolarHBondContact O-N 2.95Å; V184-R188 VanDerWaalsContact O-N 3.08Å; V184-E289 WeakPolarHBondContact CG1-OE1 3.48Å |
| 185 | F | 86.4 | Confident | 78.9 | Confident | 5 Ų | 5 | 84.2 Ų | 84.2 | 2% | 0.022 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 179.4 | -173.9 | -103.1 | 0 | 0 | 0 | 112.2 | W105 Y128 F131 W137 W181 L182 N183 K187 R188 V189 | W105-F185 HydrophobicContact CB-CE1 3.55Å; W105-F185 HydrophobicContact CB-CZ 3.77Å; W105-F185 AromaticContact CD1-CZ 3.68Å; W105-F185 AromaticContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CE1 3.99Å; W105-F185 HydrophobicContact CD2-CZ 4.16Å; W105-F185 HydrophobicContact CE3-CE1 4.39Å; W105-F185 AromaticContact CG-CE1 3.63Å; W105-F185 HydrophobicContact CG-CE1 3.63Å; W105-F185 AromaticContact CG-CZ 3.58Å; W105-F185 HydrophobicContact CG-CZ 3.58Å; Y128-F185 HydrophobicContact CD1-CB 3.83Å; Y128-F185 AromaticContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CD1 3.54Å; Y128-F185 HydrophobicContact CD1-CE1 4.36Å; Y128-F185 AromaticContact CD1-CG 3.83Å; Y128-F185 HydrophobicContact CD1-CG 3.83Å; Y128-F185 AromaticContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CD1 3.94Å; Y128-F185 HydrophobicContact CE1-CE1 4.49Å; Y128-F185 HydrophobicContact CG-CB 4.41Å; F131-F185 HydrophobicContact CB-CD2 3.61Å; F131-F185 HydrophobicContact CB-CE2 3.43Å; F131-F185 VanDerWaalsContact CB-CE2 3.43Å; F131-F185 HydrophobicContact CB-CG 4.41Å; F131-F185 HydrophobicContact CB-CZ 4.09Å; F131-F185 HydrophobicContact CD2-CZ 4.44Å; F131-F185 HydrophobicContact CG-CD2 4.45Å; F131-F185 HydrophobicContact CG-CE2 4.01Å; F131-F185 HydrophobicContact CG-CZ 4.17Å; W137-F185 HydrophobicContact CB-CE2 4.31Å; W137-F185 AromaticContact CD1-CE2 3.92Å; W137-F185 AromaticContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CE2 3.66Å; W137-F185 HydrophobicContact CD2-CZ 4.23Å; W137-F185 AromaticContact CE2-CE2 3.86Å; W137-F185 AromaticContact CE2-CZ 3.99Å; W137-F185 HydrophobicContact CE3-CE2 4.13Å; W137-F185 AromaticContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CG-CE2 3.74Å; W137-F185 HydrophobicContact CZ2-CE2 4.49Å; W137-F185 HydrophobicContact CZ2-CZ 4.25Å; W137-F185 AromaticContact NE1-CE2 3.98Å; W181-F185 WeakPolarHBondContact O-CB 3.45Å; W181-F185 PolarHBondContact O-N 2.92Å; L182-F185 PolarHBondContact O-N 2.91Å; N183-F185 PolarHBondContact O-N 2.94Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 2.78Å; F185-R188 PolarHBondContact O-N 3.13Å; F185-R188 VanDerWaalsContact O-N 3.17Å; F185-V189 HydrophobicContact CD1-CG2 3.88Å; F185-V189 HydrophobicContact CE1-CG2 3.42Å; F185-V189 VanDerWaalsContact CE1-CG2 3.42Å; F185-V189 HydrophobicContact CE2-CG2 4.19Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.6Å; F185-V189 WeakPolarHBondContact O-CG2 3.39Å; F185-V189 PolarHBondContact O-N 3.5Å |
| 186 | K | 87.5 | Confident | 81.5 | Confident | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -54.9 | -47.9 | 175 | -79.3 | 174.5 | 178.1 | 178.4 | 0 | 111.6 | L182 N183 V184 R188 V189 C190 | L182-K186 HydrophobicContact CD1-CD 4.42Å; L182-K186 HydrophobicContact CD1-CG 4.48Å; L182-K186 HydrophobicContact CG-CD 4.23Å; L182-K186 WeakPolarHBondContact O-CB 3.24Å; L182-K186 VanDerWaalsContact O-CG 3.24Å; L182-K186 WeakPolarHBondContact O-CG 3.42Å; L182-K186 PolarHBondContact O-N 3.16Å; N183-K186 PolarHBondContact O-N 2.88Å; V184-K186 PolarHBondContact O-N 3.11Å; K186-R188 VanDerWaalsContact C-N 3.35Å; K186-R188 PolarHBondContact O-N 3.07Å; K186-V189 PolarHBondContact O-N 2.88Å; K186-C190 WeakPolarHBondContact O-CB 3.46Å; K186-C190 PolarHBondContact O-N 3.09Å; K186-C190 PolarHBondContact O-SG 3.46Å |
| 187 | K | 83.9 | Confident | 83.9 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 24% | 0.243 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 177 | -74.7 | 178.9 | -178.4 | 176.8 | 0 | 111.3 | N183 V184 F185 V189 C190 L191 | N183-K187 WeakPolarHBondContact O-CG 3.24Å; N183-K187 PolarHBondContact O-N 2.99Å; V184-K187 PolarHBondContact O-N 3.26Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 2.78Å; K187-V189 PolarHBondContact O-N 3.26Å; K187-C190 PolarHBondContact O-N 2.95Å; K187-L191 WeakPolarHBondContact O-CB 3.21Å; K187-L191 WeakPolarHBondContact O-CD1 3.27Å; K187-L191 WeakPolarHBondContact O-CG 3.37Å; K187-L191 PolarHBondContact O-N 3.25Å |
| 188 | R | 87.4 | Confident | 85.9 | Confident | 26 Ų | 26 | 78 Ų | 78 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62 | -42 | 178.1 | -66.4 | -179.3 | -176.8 | 177.5 | 7.2 | 112.9 | C132 W137 V184 F185 K186 L191 R192 E289 | C132-R188 PolarHBondContact O-NH1 3.19Å; C132-R188 VanDerWaalsContact O-NH1 3.07Å; W137-R188 HydrophobicContact CE3-CB 4.19Å; W137-R188 VanDerWaalsContact O-CD 3.24Å; W137-R188 WeakPolarHBondContact O-CD 3.43Å; W137-R188 PolarHBondContact O-NH1 2.67Å; V184-R188 WeakPolarHBondContact O-CG 3.38Å; V184-R188 PolarHBondContact O-N 2.95Å; V184-R188 VanDerWaalsContact O-N 3.08Å; F185-R188 PolarHBondContact O-N 3.13Å; F185-R188 VanDerWaalsContact O-N 3.17Å; K186-R188 VanDerWaalsContact C-N 3.35Å; K186-R188 PolarHBondContact O-N 3.07Å; R188-L191 PolarHBondContact O-N 3.11Å; R188-R192 WeakPolarHBondContact O-CB 3.31Å; R188-R192 PolarHBondContact O-N 2.77Å; R188-E289 IonicContact CZ-OE1 3.43Å; R188-E289 IonicContact NE-OE1 3.21Å; R188-E289 PolarHBondContact NE-OE1 2.7Å; R188-E289 IonicContact NH2-OE1 3.12Å; R188-E289 PolarHBondContact NH2-OE1 2.87Å |
| 189 | V | 88.2 | Confident | 87.3 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.5 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | W105 W137 F185 K186 K187 R192 R193 | W105-V189 HydrophobicContact CH2-CG1 3.62Å; W105-V189 HydrophobicContact CZ2-CG1 4.06Å; W105-V189 HydrophobicContact CZ3-CG1 3.98Å; W137-V189 HydrophobicContact CE3-CG2 4.43Å; W137-V189 HydrophobicContact CH2-CB 4.28Å; W137-V189 HydrophobicContact CH2-CG2 3.61Å; W137-V189 HydrophobicContact CZ2-CG2 4.26Å; W137-V189 HydrophobicContact CZ3-CB 4.27Å; W137-V189 HydrophobicContact CZ3-CG2 3.71Å; F185-V189 HydrophobicContact CD1-CG2 3.88Å; F185-V189 HydrophobicContact CE1-CG2 3.42Å; F185-V189 VanDerWaalsContact CE1-CG2 3.42Å; F185-V189 HydrophobicContact CE2-CG2 4.19Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.6Å; F185-V189 WeakPolarHBondContact O-CG2 3.39Å; F185-V189 PolarHBondContact O-N 3.5Å; K186-V189 PolarHBondContact O-N 2.88Å; K187-V189 PolarHBondContact O-N 3.26Å; V189-R192 PolarHBondContact O-N 3.42Å; V189-R193 WeakPolarHBondContact O-CB 3.39Å; V189-R193 PolarHBondContact O-N 2.82Å |
| 190 | C | 88.4 | Confident | 88.1 | Confident | 41 Ų | 41 | 78.7 Ų | 78.7 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 177.1 | -72.6 | 0 | 0 | 0 | 0 | 111.7 | K186 K187 R193 N194 | K186-C190 WeakPolarHBondContact O-CB 3.46Å; K186-C190 PolarHBondContact O-N 3.09Å; K186-C190 PolarHBondContact O-SG 3.46Å; K187-C190 PolarHBondContact O-N 2.95Å; C190-R193 PolarHBondContact O-N 2.71Å; C190-N194 WeakPolarHBondContact O-CB 3.24Å; C190-N194 PolarHBondContact O-N 3.39Å; C190-N194 PolarHBondContact O-OD1 3.06Å |
| 191 | L | 87.8 | Confident | 88.4 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -51 | 177.4 | -71.4 | 160.9 | 0 | 0 | 0 | 111.1 | K187 R188 R193 N194 F195 A292 | K187-L191 WeakPolarHBondContact O-CB 3.21Å; K187-L191 WeakPolarHBondContact O-CD1 3.27Å; K187-L191 WeakPolarHBondContact O-CG 3.37Å; K187-L191 PolarHBondContact O-N 3.25Å; R188-L191 PolarHBondContact O-N 3.11Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 2.98Å; L191-N194 WeakPolarHBondContact O-CB 3.4Å; L191-N194 PolarHBondContact O-N 3.25Å; L191-F195 VanDerWaalsContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 PolarHBondContact O-N 3.2Å; L191-A292 HydrophobicContact CD1-CB 3.32Å; L191-A292 HydrophobicContact CD2-CB 3.83Å; L191-A292 HydrophobicContact CG-CB 4.19Å |
| 192 | R | 88.6 | Confident | 88.6 | Confident | 157 Ų | 157 | 88.2 Ų | 88.2 | 59% | 0.592 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -57 | -42.6 | 177.6 | -174 | -179.6 | -179.5 | 101 | 6.7 | 111.8 | W137 R188 V189 R196 | W137-R192 HydrophobicContact CZ3-CB 4.16Å; R188-R192 WeakPolarHBondContact O-CB 3.31Å; R188-R192 PolarHBondContact O-N 2.77Å; V189-R192 PolarHBondContact O-N 3.42Å; R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 PolarHBondContact O-N 3.13Å |
| 193 | R | 90.6 | Very high | 88.8 | Confident | 143 Ų | 143 | 90.9 Ų | 90.9 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 175.9 | 179.4 | 175.8 | -179.8 | 147.4 | 1.6 | 111.5 | V189 C190 L191 R196 L197 | V189-R193 WeakPolarHBondContact O-CB 3.39Å; V189-R193 PolarHBondContact O-N 2.82Å; C190-R193 PolarHBondContact O-N 2.71Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 2.98Å; R193-R196 PolarHBondContact O-N 3.11Å; R193-L197 HydrophobicContact CG-CD1 3.68Å; R193-L197 HydrophobicContact CG-CG 4.29Å; R193-L197 WeakPolarHBondContact O-CB 3.4Å; R193-L197 WeakPolarHBondContact O-CG 3.12Å; R193-L197 PolarHBondContact O-N 3.35Å |
| 194 | N | 92.6 | Very high | 89.2 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 179.1 | -76 | -7.8 | 0 | 0 | 0 | 111.7 | C190 L191 R196 L197 G198 K199 | C190-N194 WeakPolarHBondContact O-CB 3.24Å; C190-N194 PolarHBondContact O-N 3.39Å; C190-N194 PolarHBondContact O-OD1 3.06Å; L191-N194 WeakPolarHBondContact O-CB 3.4Å; L191-N194 PolarHBondContact O-N 3.25Å; N194-R196 VanDerWaalsContact C-N 3.34Å; N194-R196 PolarHBondContact O-N 2.86Å; N194-L197 CarbonylContact O-C 3.58Å; N194-L197 PolarHBondContact O-N 3.25Å; N194-G198 CarbonylContact O-C 3.5Å; N194-G198 WeakPolarHBondContact O-CA 3.32Å; N194-G198 PolarHBondContact O-N 3.06Å; N194-K199 HydrophobicContact CB-CB 4.25Å; N194-K199 WeakPolarHBondContact CB-O 3.4Å; N194-K199 PolarHBondContact O-N 3.32Å |
| 195 | F | 89.9 | Confident | 89.6 | Confident | 175 Ų | 175 | 96.7 Ų | 96.7 | 77% | 0.768 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.7 | -46.1 | 173 | -83.1 | -75.7 | 0 | 0 | 0 | 111.8 | L191 L197 G198 | L191-F195 VanDerWaalsContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 PolarHBondContact O-N 3.2Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 2.79Å; F195-G198 PolarHBondContact O-N 3.41Å |
| 196 | R | 92.3 | Very high | 89.9 | Confident | 197 Ų | 197 | 101.9 Ų | 101.9 | 74% | 0.743 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.2 | -35.5 | 180 | -171.9 | 177.9 | 67.3 | 159.9 | 4.2 | 113.4 | R192 R193 N194 | R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 PolarHBondContact O-N 3.13Å; R193-R196 PolarHBondContact O-N 3.11Å; N194-R196 VanDerWaalsContact C-N 3.34Å; N194-R196 PolarHBondContact O-N 2.86Å |
| 197 | L | 94.7 | Very high | 90 | Very high | 82 Ų | 82 | 98.7 Ų | 98.7 | 43% | 0.429 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -95.3 | 1.4 | -177.4 | -64.5 | 178.7 | 0 | 0 | 0 | 113.1 | R193 N194 F195 K199 | R193-L197 HydrophobicContact CG-CD1 3.68Å; R193-L197 HydrophobicContact CG-CG 4.29Å; R193-L197 WeakPolarHBondContact O-CB 3.4Å; R193-L197 WeakPolarHBondContact O-CG 3.12Å; R193-L197 PolarHBondContact O-N 3.35Å; N194-L197 CarbonylContact O-C 3.58Å; N194-L197 PolarHBondContact O-N 3.25Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L197 PolarHBondContact O-N 2.79Å; L197-K199 HydrophobicContact CB-CD 4.45Å; L197-K199 HydrophobicContact CB-CG 3.96Å; L197-K199 HydrophobicContact CD1-CD 4.37Å; L197-K199 PolarHBondContact O-N 2.92Å |
| 198 | G | 92 | Very high | 90.6 | Very high | 47 Ų | 47 | 97.7 Ų | 97.7 | 49% | 0.485 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 22.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N194 F195 H200 | N194-G198 CarbonylContact O-C 3.5Å; N194-G198 WeakPolarHBondContact O-CA 3.32Å; N194-G198 PolarHBondContact O-N 3.06Å; F195-G198 PolarHBondContact O-N 3.41Å; G198-H200 PolarHBondContact O-N 3.22Å; G198-H200 VanDerWaalsContact O-N 3.16Å; G198-H200 PolarHBondContact O-ND1 2.67Å |
| 199 | K | 91.8 | Very high | 91 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | trans | -77.4 | 102.9 | 178.4 | -69 | -170.6 | 177.5 | -163.6 | 0 | 109.6 | N194 L197 | N194-K199 HydrophobicContact CB-CB 4.25Å; N194-K199 WeakPolarHBondContact CB-O 3.4Å; N194-K199 PolarHBondContact O-N 3.32Å; L197-K199 HydrophobicContact CB-CD 4.45Å; L197-K199 HydrophobicContact CB-CG 3.96Å; L197-K199 HydrophobicContact CD1-CD 4.37Å; L197-K199 PolarHBondContact O-N 2.92Å | ||
| 200 | H | 89.6 | Confident | 91.3 | Very high | 137 Ų | 137 | 102.1 Ų | 102.1 | 63% | 0.634 | 49% | 0.493 | S | S | * | . | trans | -141.2 | 166.4 | -179.4 | 65.9 | -76.1 | 0 | 0 | 0 | 111.1 | G198 | G198-H200 PolarHBondContact O-N 3.22Å; G198-H200 VanDerWaalsContact O-N 3.16Å; G198-H200 PolarHBondContact O-ND1 2.67Å | ||
| 201 | R | 88.5 | Confident | 91.8 | Very high | 208 Ų | 208 | 102.8 Ų | 102.8 | 79% | 0.785 | 50% | 0.501 | S | S | * | . | trans | -116.9 | 131.3 | 171.7 | -69.2 | -179.8 | 67.3 | -157.1 | -0 | 108.4 | ||||
| 202 | I | 89.1 | Confident | 92.2 | Very high | 130 Ų | 130 | 104.1 Ų | 104.1 | 67% | 0.667 | 51% | 0.512 | S | S | * | . | trans | -94.8 | 127.5 | 178.8 | -59 | 173.1 | 0 | 0 | 0 | 108.6 | K204 | I202-K204 HydrophobicContact CG2-CG 4.33Š| ||
| 203 | R | 89.2 | Confident | 92.6 | Very high | 81 Ų | 81 | 102.3 Ų | 102.3 | 31% | 0.306 | 51% | 0.505 | S | S | . | . | trans | -122.7 | 127.9 | 168 | -165.9 | 166.4 | 81.1 | 179.1 | 13.3 | 108.6 | F205 N235 I236 T238 | R203-F205 HydrophobicContact CG-CE2 4.47Å; R203-F205 HydrophobicContact CG-CZ 4.37Å; R203-F205 VanDerWaalsContact CZ-CZ 3.46Å; R203-F205 VanDerWaalsContact NE-CE1 3.35Å; R203-N235 PolarHBondContact NH2-O 2.84Å; R203-I236 PolarHBondContact NH1-O 2.84Å; R203-I236 PolarHBondContact NH2-O 2.65Å; R203-T238 PolarHBondContact NH1-O 2.79Å; R203-T238 PolarHBondContact NH2-O 3.31Å | ||
| 204 | K | 91 | Very high | 92.9 | Very high | 155 Ų | 155 | 96.3 Ų | 96.3 | 67% | 0.674 | 49% | 0.486 | S | S | * | . | trans | -101.6 | 128.4 | 179 | -62.1 | -175 | -179.7 | -176.8 | 0 | 109.3 | I202 | I202-K204 HydrophobicContact CG2-CG 4.33Š| ||
| 205 | F | 92.2 | Very high | 93.1 | Very high | 59 Ų | 59 | 99.5 Ų | 99.5 | 26% | 0.259 | 50% | 0.501 | S | S | . | . | trans | -109.6 | 123.6 | 176.2 | -60.4 | -87.1 | 0 | 0 | 0 | 108.8 | R203 I222 W234 K241 | R203-F205 HydrophobicContact CG-CE2 4.47Å; R203-F205 HydrophobicContact CG-CZ 4.37Å; R203-F205 VanDerWaalsContact CZ-CZ 3.46Å; R203-F205 VanDerWaalsContact NE-CE1 3.35Å; F205-I222 HydrophobicContact CE2-CD1 3.8Å; F205-I222 HydrophobicContact CZ-CD1 3.69Å; F205-W234 HydrophobicContact CB-CD2 4.03Å; F205-W234 HydrophobicContact CB-CE3 3.68Å; F205-W234 HydrophobicContact CB-CH2 4.06Å; F205-W234 HydrophobicContact CB-CZ2 4.38Å; F205-W234 HydrophobicContact CB-CZ3 3.7Å; F205-W234 HydrophobicContact CD1-CB 4.11Å; F205-W234 HydrophobicContact CD1-CD2 4.07Å; F205-W234 AromaticContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CG 4.24Å; F205-W234 HydrophobicContact CD1-CZ3 4.49Å; F205-W234 HydrophobicContact CE1-CB 4Å; F205-W234 HydrophobicContact CG-CD2 4.23Å; F205-W234 HydrophobicContact CG-CE3 4.06Å; F205-K241 WeakPolarHBondContact CA-O 3.48Å | ||
| 206 | N | 91.5 | Very high | 93.3 | Very high | 114 Ų | 114 | 93.4 Ų | 93.4 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | trans | -111.4 | 130 | -175.2 | -63.8 | 2.2 | 0 | 0 | 0 | 108.6 | K241 | N206-K241 PolarHBondContact N-O 2.89Š| ||
| 207 | G | 91 | Very high | 93.3 | Very high | 31 Ų | 31 | 86 Ų | 86 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | trans | 171.4 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R232 | G207-R232 PolarHBondContact O-NE 2.73Å; G207-R232 PolarHBondContact O-NH2 3.08Å | ||
| 208 | H | 95.2 | Very high | 92.7 | Very high | 36 Ų | 36 | 82.8 Ų | 82.8 | 17% | 0.167 | 44% | 0.438 | C | S | . | . | trans | -66.8 | 139.1 | 175.3 | -79.3 | -60.8 | 0 | 0 | 0 | 111.1 | V212 S224 S226 D228 T230 R232 W234 | H208-V212 HydrophobicContact CB-CG2 4.13Å; H208-S224 PolarHBondContact CD2-OG 3.35Å; H208-S224 PolarHBondContact NE2-O 3.16Å; H208-S224 PolarHBondContact NE2-OG 2.87Å; H208-S226 WeakPolarHBondContact CE1-CB 3.49Å; H208-S226 WeakPolarHBondContact ND1-CB 3.27Å; H208-S226 PolarHBondContact ND1-OG 3.48Å; H208-D228 VanDerWaalsContact CA-OD2 3.24Å; H208-D228 WeakPolarHBondContact CA-OD2 3.09Å; H208-D228 WeakPolarHBondContact CB-OD2 3.26Å; H208-D228 IonicContact CE1-OD1 3.43Å; H208-D228 IonicContact CE1-OD2 3.31Å; H208-D228 IonicContact CG-OD2 2.79Å; H208-D228 IonicContact ND1-OD1 3.76Å; H208-D228 PolarHBondContact ND1-OD1 2.82Å; H208-D228 IonicContact ND1-OD2 2.87Å; H208-D228 PolarHBondContact ND1-OD2 2.68Å; H208-T230 PolarHBondContact CE1-O 3.27Å; H208-T230 PolarHBondContact CE1-OG1 3.49Å; H208-T230 PolarHBondContact ND1-OG1 2.75Å; H208-R232 VanDerWaalsContact CE1-CG 3.49Å; H208-R232 WeakPolarHBondContact CE1-CG 3.29Å; H208-R232 WeakPolarHBondContact NE2-CB 3.49Å; H208-W234 AromaticContact CD2-CZ2 3.97Å | ||
| 209 | S | 95.9 | Very high | 92.1 | Very high | 114 Ų | 114 | 81.8 Ų | 81.8 | 80% | 0.797 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -97.8 | -2.1 | 176.1 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | D228 | S209-D228 PolarHBondContact N-OD2 2.94Å; S209-D228 VanDerWaalsContact OG-CB 3.25Å; S209-D228 WeakPolarHBondContact OG-CB 3.11Å |
| 210 | G | 96.2 | Very high | 91.6 | Very high | 29 Ų | 29 | 78.4 Ų | 78.4 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -131.1 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V212 S226 | G210-V212 PolarHBondContact O-N 2.83Å; G210-S226 PolarHBondContact O-OG 3.24Å |
| 211 | A | 97.5 | Very high | 91.4 | Very high | 55 Ų | 55 | 71.9 Ų | 71.9 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | trans | -63.7 | 132.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y213 S226 A227 | A211-Y213 HydrophobicContact CB-CE1 4.46Å; A211-Y213 HydrophobicContact CB-CE2 4.5Å; A211-S226 CarbonylContact O-C 3.58Å; A211-S226 VanDerWaalsContact O-CA 3.29Å; A211-S226 WeakPolarHBondContact O-CA 3.31Å; A211-S226 PolarHBondContact O-OG 3.37Å; A211-A227 HydrophobicContact CB-CB 4.3Å; A211-A227 PolarHBondContact O-N 2.9Å | ||
| 212 | V | 97.5 | Very high | 91.6 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.7 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | H208 G210 | H208-V212 HydrophobicContact CB-CG2 4.13Å; G210-V212 PolarHBondContact O-N 2.83Å |
| 213 | Y | 97.3 | Very high | 91.7 | Very high | 118 Ų | 118 | 57 Ų | 57 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -29.7 | -177.3 | -69.1 | -66.6 | 0 | 0 | 0 | 113.4 | A211 G225 A227 A253 R255 | A211-Y213 HydrophobicContact CB-CE1 4.46Å; A211-Y213 HydrophobicContact CB-CE2 4.5Å; Y213-G225 PolarHBondContact N-O 3.44Å; Y213-A227 HydrophobicContact CD2-CB 4.35Å; Y213-A227 HydrophobicContact CE2-CB 3.46Å; Y213-A227 VanDerWaalsContact CE2-CB 3.46Å; Y213-A253 HydrophobicContact CD2-CB 4.42Å; Y213-A253 HydrophobicContact CE2-CB 4.05Å; Y213-R255 VanDerWaalsContact CZ-NH1 3.3Å |
| 214 | C | 96.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 12% | 0.122 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.9 | -175.2 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | S224 G225 R255 C256 V257 | C214-S224 WeakPolarHBondContact O-CA 3.46Å; C214-G225 PolarHBondContact N-O 3Å; C214-G225 PolarHBondContact O-N 2.66Å; C214-G225 VanDerWaalsContact SG-CA 3.58Å; C214-R255 VanDerWaalsContact CB-O 3.31Å; C214-R255 WeakPolarHBondContact CB-O 3.45Å; C214-R255 VanDerWaalsContact SG-C 3.52Å; C214-C256 VanDerWaalsContact SG-CA 3.55Å; C214-C256 PolarHBondContact SG-N 3.31Å; C214-V257 HydrophobicContact CB-CG2 4.09Å |
| 215 | I | 96.5 | Very high | 92.4 | Very high | 118 Ų | 118 | 46 Ų | 46 | 61% | 0.605 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 141.7 | 178.8 | -171.7 | 168.6 | 0 | 0 | 0 | 108.9 | I222 V223 | I215-I222 HydrophobicContact CD1-CG2 3.57Å; I215-I222 HydrophobicContact CG1-CG2 3.67Å; I215-V223 CarbonylContact C-O 3.48Å; I215-V223 VanDerWaalsContact CA-O 3.26Å; I215-V223 WeakPolarHBondContact CA-O 3.33Å; I215-V223 WeakPolarHBondContact CG1-O 3Å |
| 216 | D | 94.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 159.8 | 166.1 | -164.2 | 11 | 0 | 0 | 0 | 109.5 | V223 V257 Q258 L259 | D216-V223 PolarHBondContact N-O 3.47Å; D216-V223 PolarHBondContact O-N 3.05Å; D216-V257 HydrophobicContact CB-CG2 4.11Å; D216-Q258 WeakPolarHBondContact OD2-CA 3.3Å; D216-L259 WeakPolarHBondContact OD2-CB 3.31Å; D216-L259 PolarHBondContact OD2-N 3.02Å |
| 217 | C | 91.2 | Very high | 93 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 152 | -178.8 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | R221 I222 I236 I291 | C217-R221 VanDerWaalsContact CA-O 3.31Å; C217-R221 WeakPolarHBondContact CA-O 3.44Å; C217-R221 WeakPolarHBondContact CB-O 3.31Å; C217-I222 HydrophobicContact CB-CB 4.37Å; C217-I222 HydrophobicContact CB-CG1 4.08Å; C217-I222 HydrophobicContact CB-CG2 4.46Å; C217-I236 HydrophobicContact CB-CD1 4.34Å; C217-I291 HydrophobicContact CB-CD1 4.47Å; C217-I291 WeakPolarHBondContact SG-CD1 3.39Å |
| 218 | D | 83.3 | Confident | 93.3 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | trans | -117.1 | -162.2 | 170.9 | 68.7 | 21.4 | 0 | 0 | 0 | 110.3 | Y220 R221 I236 L259 I291 | D218-Y220 PolarHBondContact O-N 2.88Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.42Å; D218-Y220 PolarHBondContact OD1-N 3.27Å; D218-R221 PolarHBondContact N-O 3.2Å; D218-R221 PolarHBondContact OD1-N 2.91Å; D218-I236 WeakPolarHBondContact O-CD1 3.36Å; D218-L259 HydrophobicContact CB-CD1 4.31Å; D218-I291 WeakPolarHBondContact O-CG1 3.48Å | ||
| 219 | A | 78.7 | Confident | 93.4 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -75.9 | -5.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 220 | Y | 81.8 | Confident | 93.4 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -127.7 | -32.8 | -170.2 | -60.9 | -99.7 | 0 | 0 | 0 | 112.8 | D218 I236 R237 P313 P314 | D218-Y220 PolarHBondContact O-N 2.88Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.42Å; D218-Y220 PolarHBondContact OD1-N 3.27Å; Y220-I236 PolarHBondContact O-N 3.04Å; Y220-R237 VanDerWaalsContact CZ-NH2 3.25Å; Y220-P313 HydrophobicContact CD1-CB 3.81Å; Y220-P313 HydrophobicContact CD1-CG 4.1Å; Y220-P313 HydrophobicContact CE1-CB 4.46Å; Y220-P313 HydrophobicContact CG-CB 3.96Å; Y220-P314 HydrophobicContact CD2-CG 4.48Å; Y220-P314 HydrophobicContact CE2-CG 4.14Å |
| 221 | R | 84.9 | Confident | 93.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 144.5 | -165.1 | -38.9 | -178.4 | -162.7 | -144.5 | 17.7 | 111 | C217 D218 V233 W234 I236 P314 L332 A334 W338 | C217-R221 VanDerWaalsContact CA-O 3.31Å; C217-R221 WeakPolarHBondContact CA-O 3.44Å; C217-R221 WeakPolarHBondContact CB-O 3.31Å; D218-R221 PolarHBondContact N-O 3.2Å; D218-R221 PolarHBondContact OD1-N 2.91Å; R221-V233 HydrophobicContact CB-CG1 4.11Å; R221-W234 CarbonylContact C-O 3.55Å; R221-W234 WeakPolarHBondContact CA-O 3.37Å; R221-I236 WeakPolarHBondContact O-CD1 3.24Å; R221-P314 PolarHBondContact NH2-O 3.04Å; R221-L332 PolarHBondContact NH2-O 2.94Å; R221-A334 VanDerWaalsContact NH2-CB 3.28Å; R221-W338 HydrophobicContact CG-CH2 3.96Å |
| 222 | I | 92.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 32.5 Ų | 32.5 | 14% | 0.138 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.4 | 162.7 | -53.4 | 179.6 | 0 | 0 | 0 | 106.4 | F205 I215 C217 V233 W234 I236 | F205-I222 HydrophobicContact CE2-CD1 3.8Å; F205-I222 HydrophobicContact CZ-CD1 3.69Å; I215-I222 HydrophobicContact CD1-CG2 3.57Å; I215-I222 HydrophobicContact CG1-CG2 3.67Å; C217-I222 HydrophobicContact CB-CB 4.37Å; C217-I222 HydrophobicContact CB-CG1 4.08Å; C217-I222 HydrophobicContact CB-CG2 4.46Å; I222-V233 CarbonylContact O-C 3.56Å; I222-V233 WeakPolarHBondContact O-CA 3.46Å; I222-W234 HydrophobicContact CB-CB 4.13Å; I222-W234 HydrophobicContact CB-CG 4.36Å; I222-W234 PolarHBondContact N-O 3.09Å; I222-W234 VanDerWaalsContact O-CD1 3.25Å; I222-W234 PolarHBondContact O-N 3.35Å; I222-I236 HydrophobicContact CD1-CG1 4.05Å; I222-I236 HydrophobicContact CG1-CD1 3.78Å; I222-I236 HydrophobicContact CG1-CG1 3.44Å; I222-I236 VanDerWaalsContact CG1-CG1 3.44Å |
| 223 | V | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.5 | 173.5 | 180 | 0 | 0 | 0 | 0 | 108.5 | I215 D216 I231 R232 V233 V257 L259 L318 L332 | I215-V223 CarbonylContact C-O 3.48Å; I215-V223 VanDerWaalsContact CA-O 3.26Å; I215-V223 WeakPolarHBondContact CA-O 3.33Å; I215-V223 WeakPolarHBondContact CG1-O 3Å; D216-V223 PolarHBondContact N-O 3.47Å; D216-V223 PolarHBondContact O-N 3.05Å; V223-I231 HydrophobicContact CG1-CG2 3.28Å; V223-R232 CarbonylContact C-O 3.59Å; V223-R232 WeakPolarHBondContact CA-O 3.45Å; V223-V233 HydrophobicContact CG2-CG1 4.25Å; V223-V233 HydrophobicContact CG2-CG2 4.24Å; V223-V257 HydrophobicContact CG1-CB 4.5Å; V223-V257 HydrophobicContact CG1-CG1 4.46Å; V223-V257 HydrophobicContact CG1-CG2 4.49Å; V223-L259 HydrophobicContact CG2-CD1 3.95Å; V223-L259 HydrophobicContact CG2-CD2 3.97Å; V223-L259 HydrophobicContact CG2-CG 4.16Å; V223-L318 HydrophobicContact CB-CD1 4.49Å; V223-L318 HydrophobicContact CG1-CD1 3.86Å; V223-L318 HydrophobicContact CG1-CD2 3.84Å; V223-L332 HydrophobicContact CG2-CD1 4.17Å |
| 224 | S | 96.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.4 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | H208 C214 I231 R232 W234 | H208-S224 PolarHBondContact CD2-OG 3.35Å; H208-S224 PolarHBondContact NE2-O 3.16Å; H208-S224 PolarHBondContact NE2-OG 2.87Å; C214-S224 WeakPolarHBondContact O-CA 3.46Å; S224-I231 CarbonylContact O-C 3.56Å; S224-I231 VanDerWaalsContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CG2 3.42Å; S224-R232 PolarHBondContact N-O 3.31Å; S224-R232 PolarHBondContact O-N 3.48Å; S224-W234 PolarHBondContact OG-NE1 2.59Å |
| 225 | G | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y213 C214 | Y213-G225 PolarHBondContact N-O 3.44Å; C214-G225 PolarHBondContact N-O 3Å; C214-G225 PolarHBondContact O-N 2.66Å; C214-G225 VanDerWaalsContact SG-CA 3.58Å |
| 226 | S | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 164.1 | -166.4 | 171.6 | 0 | 0 | 0 | 0 | 113.9 | H208 G210 A211 D228 A229 T230 A253 V254 | H208-S226 WeakPolarHBondContact CE1-CB 3.49Å; H208-S226 WeakPolarHBondContact ND1-CB 3.27Å; H208-S226 PolarHBondContact ND1-OG 3.48Å; G210-S226 PolarHBondContact O-OG 3.24Å; A211-S226 CarbonylContact O-C 3.58Å; A211-S226 VanDerWaalsContact O-CA 3.29Å; A211-S226 WeakPolarHBondContact O-CA 3.31Å; A211-S226 PolarHBondContact O-OG 3.37Å; S226-D228 VanDerWaalsContact CB-OD1 3.23Å; S226-D228 WeakPolarHBondContact CB-OD1 3.23Å; S226-D228 PolarHBondContact O-N 2.8Å; S226-D228 PolarHBondContact OG-N 3.21Å; S226-D228 PolarHBondContact OG-OD1 3.37Å; S226-D228 PolarHBondContact OG-OD2 2.85Å; S226-A229 PolarHBondContact O-N 3.34Å; S226-T230 PolarHBondContact N-O 3.46Å; S226-A253 WeakPolarHBondContact O-CA 3.46Å; S226-V254 PolarHBondContact O-N 3.2Å |
| 227 | A | 98.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 23.7 Ų | 23.7 | 30% | 0.298 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A211 Y213 A229 | A211-A227 HydrophobicContact CB-CB 4.3Å; A211-A227 PolarHBondContact O-N 2.9Å; Y213-A227 HydrophobicContact CD2-CB 4.35Å; Y213-A227 HydrophobicContact CE2-CB 3.46Å; Y213-A227 VanDerWaalsContact CE2-CB 3.46Å; A227-A229 PolarHBondContact O-N 2.74Å; A227-A229 VanDerWaalsContact O-N 3.12Å |
| 228 | D | 97.5 | Very high | 90.2 | Very high | 32 Ų | 32 | 24.5 Ų | 24.5 | 17% | 0.171 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 13.8 | 177.3 | 62 | 26.2 | 0 | 0 | 0 | 114.2 | H208 S209 S226 T230 | H208-D228 VanDerWaalsContact CA-OD2 3.24Å; H208-D228 WeakPolarHBondContact CA-OD2 3.09Å; H208-D228 WeakPolarHBondContact CB-OD2 3.26Å; H208-D228 IonicContact CE1-OD1 3.43Å; H208-D228 IonicContact CE1-OD2 3.31Å; H208-D228 IonicContact CG-OD2 2.79Å; H208-D228 IonicContact ND1-OD1 3.76Å; H208-D228 PolarHBondContact ND1-OD1 2.82Å; H208-D228 IonicContact ND1-OD2 2.87Å; H208-D228 PolarHBondContact ND1-OD2 2.68Å; S209-D228 PolarHBondContact N-OD2 2.94Å; S209-D228 VanDerWaalsContact OG-CB 3.25Å; S209-D228 WeakPolarHBondContact OG-CB 3.11Å; S226-D228 VanDerWaalsContact CB-OD1 3.23Å; S226-D228 WeakPolarHBondContact CB-OD1 3.23Å; S226-D228 PolarHBondContact O-N 2.8Å; S226-D228 PolarHBondContact OG-N 3.21Å; S226-D228 PolarHBondContact OG-OD1 3.37Å; S226-D228 PolarHBondContact OG-OD2 2.85Å; D228-T230 VanDerWaalsContact CG-OG1 3.31Å; D228-T230 WeakPolarHBondContact O-CG2 3.33Å; D228-T230 PolarHBondContact O-N 2.94Å; D228-T230 VanDerWaalsContact O-N 3.13Å; D228-T230 WeakPolarHBondContact OD1-CA 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.23Å; D228-T230 PolarHBondContact OD1-N 2.84Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å |
| 229 | A | 97 | Very high | 90 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 17% | 0.174 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 58.9 | 16.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S226 A227 D252 | S226-A229 PolarHBondContact O-N 3.34Å; A227-A229 PolarHBondContact O-N 2.74Å; A227-A229 VanDerWaalsContact O-N 3.12Å; A229-D252 WeakPolarHBondContact CA-O 3.39Å; A229-D252 VanDerWaalsContact CB-O 3.3Å; A229-D252 WeakPolarHBondContact CB-O 3.46Å |
| 230 | T | 96 | Very high | 90.1 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 156.5 | 178 | 76.1 | 0 | 0 | 0 | 0 | 112.9 | H208 S226 D228 T246 L247 R248 | H208-T230 PolarHBondContact CE1-O 3.27Å; H208-T230 PolarHBondContact CE1-OG1 3.49Å; H208-T230 PolarHBondContact ND1-OG1 2.75Å; S226-T230 PolarHBondContact N-O 3.46Å; D228-T230 VanDerWaalsContact CG-OG1 3.31Å; D228-T230 WeakPolarHBondContact O-CG2 3.33Å; D228-T230 PolarHBondContact O-N 2.94Å; D228-T230 VanDerWaalsContact O-N 3.13Å; D228-T230 WeakPolarHBondContact OD1-CA 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.23Å; D228-T230 PolarHBondContact OD1-N 2.84Å; D228-T230 PolarHBondContact OD1-OG1 2.91Å; T230-T246 HydrophobicContact CG2-CG2 3.93Å; T230-L247 WeakPolarHBondContact CA-O 3.43Å; T230-R248 HydrophobicContact CG2-CG 4.14Å |
| 231 | I | 95.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.9 | 168.4 | -52.3 | 170.7 | 0 | 0 | 0 | 107.8 | V223 S224 T246 L247 V254 V257 L318 S320 W330 | V223-I231 HydrophobicContact CG1-CG2 3.28Å; S224-I231 CarbonylContact O-C 3.56Å; S224-I231 VanDerWaalsContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CA 3.23Å; S224-I231 WeakPolarHBondContact O-CG2 3.42Å; I231-T246 CarbonylContact O-C 3.5Å; I231-T246 WeakPolarHBondContact O-CA 3.34Å; I231-L247 HydrophobicContact CB-CB 4.1Å; I231-L247 HydrophobicContact CB-CD1 4.24Å; I231-L247 HydrophobicContact CB-CG 4.37Å; I231-L247 HydrophobicContact CG2-CD1 4.28Å; I231-L247 PolarHBondContact N-O 2.78Å; I231-L247 PolarHBondContact O-N 2.82Å; I231-V254 HydrophobicContact CD1-CG1 4.2Å; I231-V254 HydrophobicContact CD1-CG2 4.43Å; I231-V254 HydrophobicContact CG1-CB 4.32Å; I231-V254 HydrophobicContact CG1-CG1 4Å; I231-V254 HydrophobicContact CG1-CG2 3.83Å; I231-V257 HydrophobicContact CD1-CG1 4.37Å; I231-V257 HydrophobicContact CG2-CG1 4.37Å; I231-L318 HydrophobicContact CD1-CD2 4.45Å; I231-L318 HydrophobicContact CG2-CD2 4.15Å; I231-S320 WeakPolarHBondContact CD1-OG 3.49Å; I231-W330 HydrophobicContact CD1-CZ2 3.97Å |
| 232 | R | 93.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 18% | 0.181 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.7 | 176.3 | -73.2 | -179 | 177.1 | -101.7 | 2.7 | 111.4 | G207 H208 V223 S224 W234 S243 Q245 T246 | G207-R232 PolarHBondContact O-NE 2.73Å; G207-R232 PolarHBondContact O-NH2 3.08Å; H208-R232 VanDerWaalsContact CE1-CG 3.49Å; H208-R232 WeakPolarHBondContact CE1-CG 3.29Å; H208-R232 WeakPolarHBondContact NE2-CB 3.49Å; V223-R232 CarbonylContact C-O 3.59Å; V223-R232 WeakPolarHBondContact CA-O 3.45Å; S224-R232 PolarHBondContact N-O 3.31Å; S224-R232 PolarHBondContact O-N 3.48Å; R232-W234 HydrophobicContact CB-CH2 4.22Å; R232-W234 HydrophobicContact CB-CZ2 3.45Å; R232-W234 VanDerWaalsContact CB-CZ2 3.45Å; R232-W234 HydrophobicContact CG-CZ2 4.13Å; R232-W234 PolarHBondContact O-NE1 3.42Å; R232-S243 PolarHBondContact NH1-OG 2.94Å; R232-Q245 WeakPolarHBondContact CA-O 3.34Å; R232-T246 HydrophobicContact CG-CG2 4.17Å; R232-T246 PolarHBondContact NH1-OG1 3.43Å |
| 233 | V | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.6 | 174.8 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | R221 I222 V223 S243 V244 Q245 L247 L332 W338 | R221-V233 HydrophobicContact CB-CG1 4.11Å; I222-V233 CarbonylContact O-C 3.56Å; I222-V233 WeakPolarHBondContact O-CA 3.46Å; V223-V233 HydrophobicContact CG2-CG1 4.25Å; V223-V233 HydrophobicContact CG2-CG2 4.24Å; V233-S243 CarbonylContact O-C 3.5Å; V233-S243 WeakPolarHBondContact O-CA 3.19Å; V233-S243 WeakPolarHBondContact O-CB 3.36Å; V233-V244 PolarHBondContact O-N 2.66Å; V233-Q245 HydrophobicContact CB-CB 4.26Å; V233-Q245 HydrophobicContact CG2-CB 4.49Å; V233-Q245 PolarHBondContact N-O 2.82Å; V233-Q245 PolarHBondContact O-N 2.73Å; V233-L247 HydrophobicContact CG2-CD1 4.32Å; V233-L247 HydrophobicContact CG2-CG 4.4Å; V233-L332 HydrophobicContact CG2-CD1 4.48Å; V233-W338 HydrophobicContact CB-CZ3 4.48Å; V233-W338 HydrophobicContact CG1-CH2 4.23Å; V233-W338 HydrophobicContact CG1-CZ3 3.74Å |
| 234 | W | 90.5 | Very high | 89.4 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.8 | -176.8 | -38.3 | 86.1 | 0 | 0 | 0 | 108.9 | F205 H208 R221 I222 S224 R232 S243 | F205-W234 HydrophobicContact CB-CD2 4.03Å; F205-W234 HydrophobicContact CB-CE3 3.68Å; F205-W234 HydrophobicContact CB-CH2 4.06Å; F205-W234 HydrophobicContact CB-CZ2 4.38Å; F205-W234 HydrophobicContact CB-CZ3 3.7Å; F205-W234 HydrophobicContact CD1-CB 4.11Å; F205-W234 HydrophobicContact CD1-CD2 4.07Å; F205-W234 AromaticContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CE3 3.74Å; F205-W234 HydrophobicContact CD1-CG 4.24Å; F205-W234 HydrophobicContact CD1-CZ3 4.49Å; F205-W234 HydrophobicContact CE1-CB 4Å; F205-W234 HydrophobicContact CG-CD2 4.23Å; F205-W234 HydrophobicContact CG-CE3 4.06Å; H208-W234 AromaticContact CD2-CZ2 3.97Å; R221-W234 CarbonylContact C-O 3.55Å; R221-W234 WeakPolarHBondContact CA-O 3.37Å; I222-W234 HydrophobicContact CB-CB 4.13Å; I222-W234 HydrophobicContact CB-CG 4.36Å; I222-W234 PolarHBondContact N-O 3.09Å; I222-W234 VanDerWaalsContact O-CD1 3.25Å; I222-W234 PolarHBondContact O-N 3.35Å; S224-W234 PolarHBondContact OG-NE1 2.59Å; R232-W234 HydrophobicContact CB-CH2 4.22Å; R232-W234 HydrophobicContact CB-CZ2 3.45Å; R232-W234 VanDerWaalsContact CB-CZ2 3.45Å; R232-W234 HydrophobicContact CG-CZ2 4.13Å; R232-W234 PolarHBondContact O-NE1 3.42Å; W234-S243 VanDerWaalsContact CE3-N 3.31Å |
| 235 | N | 85.4 | Confident | 88.9 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.9 | 175.9 | -178 | -30.4 | 0 | 0 | 0 | 109.9 | R203 R237 T238 V244 | R203-N235 PolarHBondContact NH2-O 2.84Å; N235-R237 WeakPolarHBondContact OD1-CA 3.49Å; N235-R237 WeakPolarHBondContact OD1-CB 3.49Å; N235-R237 PolarHBondContact OD1-N 3.19Å; N235-T238 HydrophobicContact CB-CG2 4.28Å; N235-T238 WeakPolarHBondContact CB-OG1 3.39Å; N235-T238 PolarHBondContact OD1-N 3.41Å; N235-T238 VanDerWaalsContact OD1-N 3.09Å; N235-V244 HydrophobicContact CB-CG2 3.58Å |
| 236 | I | 82.9 | Confident | 88.7 | Confident | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -70.5 | -39.8 | -179.3 | -68.9 | 173 | 0 | 0 | 0 | 110.5 | R203 C217 D218 Y220 R221 I222 | R203-I236 PolarHBondContact NH1-O 2.84Å; R203-I236 PolarHBondContact NH2-O 2.65Å; C217-I236 HydrophobicContact CB-CD1 4.34Å; D218-I236 WeakPolarHBondContact O-CD1 3.36Å; Y220-I236 PolarHBondContact O-N 3.04Å; R221-I236 WeakPolarHBondContact O-CD1 3.24Å; I222-I236 HydrophobicContact CD1-CG1 4.05Å; I222-I236 HydrophobicContact CG1-CD1 3.78Å; I222-I236 HydrophobicContact CG1-CG1 3.44Å; I222-I236 VanDerWaalsContact CG1-CG1 3.44Å |
| 237 | R | 81.2 | Confident | 88.4 | Confident | 125 Ų | 125 | 48.3 Ų | 48.3 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -76.9 | -31.5 | -172.5 | -61.8 | -175.7 | 178.2 | -177 | -5 | 112.8 | Y220 N235 | Y220-R237 VanDerWaalsContact CZ-NH2 3.25Å; N235-R237 WeakPolarHBondContact OD1-CA 3.49Å; N235-R237 WeakPolarHBondContact OD1-CB 3.49Å; N235-R237 PolarHBondContact OD1-N 3.19Å |
| 238 | T | 79.4 | Confident | 88.2 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 36% | 0.356 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -79.1 | 147.7 | 173.1 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | R203 N235 A240 | R203-T238 PolarHBondContact NH1-O 2.79Å; R203-T238 PolarHBondContact NH2-O 3.31Å; N235-T238 HydrophobicContact CB-CG2 4.28Å; N235-T238 WeakPolarHBondContact CB-OG1 3.39Å; N235-T238 PolarHBondContact OD1-N 3.41Å; N235-T238 VanDerWaalsContact OD1-N 3.09Å; T238-A240 PolarHBondContact O-N 2.82Å; T238-A240 WeakPolarHBondContact OG1-CB 3.42Å |
| 239 | N | 77.9 | Confident | 87.9 | Confident | 127 Ų | 127 | 56.4 Ų | 56.4 | 68% | 0.679 | 28% | 0.275 | S | S | * | . | trans | -82.5 | 16.8 | 170.7 | -157.6 | 25.5 | 0 | 0 | 0 | 112.1 | ||||
| 240 | A | 81 | Confident | 87.8 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | trans | -66.8 | 134.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T238 W242 | T238-A240 PolarHBondContact O-N 2.82Å; T238-A240 WeakPolarHBondContact OG1-CB 3.42Å; A240-W242 HydrophobicContact CB-CD2 4.11Å; A240-W242 HydrophobicContact CB-CH2 4.47Å; A240-W242 HydrophobicContact CB-CZ2 4Å | ||
| 241 | K | 83.8 | Confident | 87.8 | Confident | 134 Ų | 134 | 60.5 Ų | 60.5 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -89.7 | -15.6 | 178 | -63.6 | -179.7 | -177.8 | 173.5 | 0 | 112.8 | F205 N206 | F205-K241 WeakPolarHBondContact CA-O 3.48Å; N206-K241 PolarHBondContact N-O 2.89Å |
| 242 | W | 83.7 | Confident | 87.9 | Confident | 181 Ų | 181 | 64 Ų | 64 | 69% | 0.686 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -92.1 | 155.8 | 178.3 | 54.7 | 89.9 | 0 | 0 | 0 | 110.8 | A240 | A240-W242 HydrophobicContact CB-CD2 4.11Å; A240-W242 HydrophobicContact CB-CH2 4.47Å; A240-W242 HydrophobicContact CB-CZ2 4Å |
| 243 | S | 84.2 | Confident | 88.1 | Confident | 16 Ų | 16 | 62 Ų | 62 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | trans | -68.2 | 137.7 | 174 | 61.4 | 0 | 0 | 0 | 0 | 109.2 | R232 V233 W234 Q245 | R232-S243 PolarHBondContact NH1-OG 2.94Å; V233-S243 CarbonylContact O-C 3.5Å; V233-S243 WeakPolarHBondContact O-CA 3.19Å; V233-S243 WeakPolarHBondContact O-CB 3.36Å; W234-S243 VanDerWaalsContact CE3-N 3.31Å; S243-Q245 WeakPolarHBondContact CB-O 3.48Å; S243-Q245 PolarHBondContact O-N 3.36Å | ||
| 244 | V | 85.5 | Confident | 88.4 | Confident | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -65.3 | -31.1 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | V233 N235 W338 | V233-V244 PolarHBondContact O-N 2.66Å; N235-V244 HydrophobicContact CB-CG2 3.58Å; V244-W338 HydrophobicContact CB-CE3 4.5Å; V244-W338 HydrophobicContact CG1-CB 4.37Å; V244-W338 HydrophobicContact CG1-CD2 3.44Å; V244-W338 VanDerWaalsContact CG1-CD2 3.44Å; V244-W338 HydrophobicContact CG1-CE3 3.75Å; V244-W338 HydrophobicContact CG1-CG 3.72Å; V244-W338 HydrophobicContact CG1-CH2 4.4Å; V244-W338 HydrophobicContact CG1-CZ2 4.18Å; V244-W338 HydrophobicContact CG1-CZ3 4.2Å |
| 245 | Q | 86.6 | Confident | 88.7 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 16% | 0.159 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 153.6 | -178.5 | -159.2 | 152.3 | 3.9 | 0 | 0 | 113.1 | R232 V233 S243 L247 W338 | R232-Q245 WeakPolarHBondContact CA-O 3.34Å; V233-Q245 HydrophobicContact CB-CB 4.26Å; V233-Q245 HydrophobicContact CG2-CB 4.49Å; V233-Q245 PolarHBondContact N-O 2.82Å; V233-Q245 PolarHBondContact O-N 2.73Å; S243-Q245 WeakPolarHBondContact CB-O 3.48Å; S243-Q245 PolarHBondContact O-N 3.36Å; Q245-L247 HydrophobicContact CG-CD2 4.02Å; Q245-W338 PolarHBondContact NE2-O 3.43Å; Q245-W338 PolarHBondContact OE1-O 2.94Å; Q245-W338 VanDerWaalsContact OE1-O 3.14Å |
| 246 | T | 91.7 | Very high | 89.3 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.5 | 171.9 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | T230 I231 R232 R248 | T230-T246 HydrophobicContact CG2-CG2 3.93Å; I231-T246 CarbonylContact O-C 3.5Å; I231-T246 WeakPolarHBondContact O-CA 3.34Å; R232-T246 HydrophobicContact CG-CG2 4.17Å; R232-T246 PolarHBondContact NH1-OG1 3.43Å; T246-R248 HydrophobicContact CG2-CG 4.37Å |
| 247 | L | 92.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.9 | 176 | -43.8 | 179.5 | 0 | 0 | 0 | 108.5 | T230 I231 V233 Q245 L318 W330 L332 I341 | T230-L247 WeakPolarHBondContact CA-O 3.43Å; I231-L247 HydrophobicContact CB-CB 4.1Å; I231-L247 HydrophobicContact CB-CD1 4.24Å; I231-L247 HydrophobicContact CB-CG 4.37Å; I231-L247 HydrophobicContact CG2-CD1 4.28Å; I231-L247 PolarHBondContact N-O 2.78Å; I231-L247 PolarHBondContact O-N 2.82Å; V233-L247 HydrophobicContact CG2-CD1 4.32Å; V233-L247 HydrophobicContact CG2-CG 4.4Å; Q245-L247 HydrophobicContact CG-CD2 4.02Å; L247-L318 HydrophobicContact CD1-CD2 3.69Å; L247-W330 HydrophobicContact CB-CD2 4.43Å; L247-W330 HydrophobicContact CB-CE3 3.9Å; L247-W330 HydrophobicContact CB-CH2 4.11Å; L247-W330 HydrophobicContact CB-CZ3 3.73Å; L247-W330 HydrophobicContact CD1-CB 4.26Å; L247-W330 HydrophobicContact CD1-CD2 3.92Å; L247-W330 HydrophobicContact CD1-CE3 3.96Å; L247-W330 HydrophobicContact CD1-CG 4.06Å; L247-W330 HydrophobicContact CG-CE3 4.36Å; L247-L332 HydrophobicContact CD1-CD2 3.92Å; L247-I341 HydrophobicContact CD1-CG2 4.32Å; L247-I341 HydrophobicContact CD2-CB 4.07Å; L247-I341 HydrophobicContact CD2-CG2 3.41Å; L247-I341 VanDerWaalsContact CD2-CG2 3.41Å |
| 248 | R | 93.2 | Very high | 90.5 | Very high | 196 Ų | 196 | 58.6 Ų | 58.6 | 74% | 0.74 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.7 | 177.8 | -62.3 | -175.7 | 177 | -146.4 | -0.9 | 108.3 | T230 T246 | T230-R248 HydrophobicContact CG2-CG 4.14Å; T246-R248 HydrophobicContact CG2-CG 4.37Å |
| 249 | G | 91.7 | Very high | 91.1 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | trans | 158.4 | -21.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K328 | G249-K328 WeakPolarHBondContact O-CE 3.45Å; G249-K328 PolarHBondContact O-NZ 2.79Å | ||
| 250 | H | 95.6 | Very high | 91.5 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.069 | 26% | 0.261 | C | S | . | . | trans | -74.7 | 145.9 | 163.2 | -77.6 | -62.2 | 0 | 0 | 0 | 110.2 | V254 S320 S322 D324 T326 | H250-V254 HydrophobicContact CB-CG2 4.19Å; H250-S320 PolarHBondContact NE2-OG 3.17Å; H250-S322 WeakPolarHBondContact CE1-CB 3.5Å; H250-S322 WeakPolarHBondContact ND1-CB 3.22Å; H250-D324 WeakPolarHBondContact CA-OD2 3.47Å; H250-D324 VanDerWaalsContact CB-OD2 3.27Å; H250-D324 WeakPolarHBondContact CB-OD2 3.47Å; H250-D324 IonicContact CE1-OD1 2.78Å; H250-D324 IonicContact CE1-OD2 3.25Å; H250-D324 IonicContact CG-OD2 2.97Å; H250-D324 IonicContact ND1-OD1 3.39Å; H250-D324 PolarHBondContact ND1-OD1 3Å; H250-D324 IonicContact ND1-OD2 2.68Å; H250-D324 PolarHBondContact ND1-OD2 3.45Å; H250-T326 PolarHBondContact CE1-OG1 2.74Å; H250-T326 PolarHBondContact ND1-OG1 2.78Å | ||
| 251 | S | 95.7 | Very high | 91.2 | Very high | 106 Ų | 106 | 54.7 Ų | 54.7 | 74% | 0.741 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -97.3 | -8.3 | 178.1 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | D324 | S251-D324 PolarHBondContact N-OD2 2.89Å; S251-D324 WeakPolarHBondContact OG-CB 3.31Å |
| 252 | D | 97.1 | Very high | 90.4 | Very high | 76 Ų | 76 | 52 Ų | 52 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -143.6 | -179.4 | 176.9 | -159.3 | -6.2 | 0 | 0 | 0 | 109.7 | A229 S322 A323 D324 | A229-D252 WeakPolarHBondContact CA-O 3.39Å; A229-D252 VanDerWaalsContact CB-O 3.3Å; A229-D252 WeakPolarHBondContact CB-O 3.46Å; D252-S322 PolarHBondContact O-OG 2.88Å; D252-A323 HydrophobicContact CB-CB 4.01Å; D252-A323 VanDerWaalsContact OD2-CB 3.29Å; D252-A323 WeakPolarHBondContact OD2-CB 3.48Å; D252-D324 HydrophobicContact CB-CB 4Å |
| 253 | A | 97.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | trans | -60.3 | 132 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y213 S226 R255 S322 A323 | Y213-A253 HydrophobicContact CD2-CB 4.42Å; Y213-A253 HydrophobicContact CE2-CB 4.05Å; S226-A253 WeakPolarHBondContact O-CA 3.46Å; A253-R255 PolarHBondContact O-N 2.85Å; A253-S322 WeakPolarHBondContact O-CA 3.43Å; A253-S322 PolarHBondContact O-OG 2.76Å; A253-A323 PolarHBondContact O-N 3.37Å | ||
| 254 | V | 98.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 118.9 | 178.2 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | S226 I231 H250 V257 | S226-V254 PolarHBondContact O-N 3.2Å; I231-V254 HydrophobicContact CD1-CG1 4.2Å; I231-V254 HydrophobicContact CD1-CG2 4.43Å; I231-V254 HydrophobicContact CG1-CB 4.32Å; I231-V254 HydrophobicContact CG1-CG1 4Å; I231-V254 HydrophobicContact CG1-CG2 3.83Å; H250-V254 HydrophobicContact CB-CG2 4.19Å; V254-V257 HydrophobicContact CG1-CG1 3.95Å |
| 255 | R | 97.8 | Very high | 85.1 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -29.5 | -171.3 | -71.3 | -73.1 | -173.7 | -92.3 | -9.2 | 113.4 | Y213 C214 A253 G321 T353 V354 | Y213-R255 VanDerWaalsContact CZ-NH1 3.3Å; C214-R255 VanDerWaalsContact CB-O 3.31Å; C214-R255 WeakPolarHBondContact CB-O 3.45Å; C214-R255 VanDerWaalsContact SG-C 3.52Å; A253-R255 PolarHBondContact O-N 2.85Å; R255-G321 PolarHBondContact N-O 3.46Å; R255-T353 HydrophobicContact CG-CG2 3.84Å; R255-V354 VanDerWaalsContact CB-O 3.23Å; R255-V354 WeakPolarHBondContact CB-O 3.29Å |
| 256 | C | 97.1 | Very high | 82.6 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.4 | 178.6 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | C214 S320 G321 C356 V357 | C214-C256 VanDerWaalsContact SG-CA 3.55Å; C214-C256 PolarHBondContact SG-N 3.31Å; C256-S320 CarbonylContact O-C 3.5Å; C256-S320 VanDerWaalsContact O-CA 3.31Å; C256-S320 WeakPolarHBondContact O-CA 3.41Å; C256-G321 PolarHBondContact N-O 3.02Å; C256-G321 PolarHBondContact O-N 3.47Å; C256-G321 VanDerWaalsContact SG-CA 3.6Å; C256-C356 VanDerWaalsContact SG-CA 3.59Å; C256-V357 HydrophobicContact CB-CG1 4.1Å; C256-V357 PolarHBondContact SG-N 3.06Å |
| 257 | V | 96.2 | Very high | 79.5 | Confident | 16 Ų | 16 | 71 Ų | 71 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.1 | 175.2 | -69.5 | 0 | 0 | 0 | 0 | 109.7 | C214 D216 V223 I231 V254 L318 I319 | C214-V257 HydrophobicContact CB-CG2 4.09Å; D216-V257 HydrophobicContact CB-CG2 4.11Å; V223-V257 HydrophobicContact CG1-CB 4.5Å; V223-V257 HydrophobicContact CG1-CG1 4.46Å; V223-V257 HydrophobicContact CG1-CG2 4.49Å; I231-V257 HydrophobicContact CD1-CG1 4.37Å; I231-V257 HydrophobicContact CG2-CG1 4.37Å; V254-V257 HydrophobicContact CG1-CG1 3.95Å; V257-L318 HydrophobicContact CB-CD1 4.1Å; V257-I319 CarbonylContact C-O 3.56Å; V257-I319 VanDerWaalsContact CA-O 3.27Å; V257-I319 WeakPolarHBondContact CA-O 3.38Å |
| 258 | Q | 94.6 | Very high | 76.4 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 128.2 | 173.6 | -176.9 | 175.2 | 12 | 0 | 0 | 111.5 | D216 L318 I319 V357 Q358 V359 | D216-Q258 WeakPolarHBondContact OD2-CA 3.3Å; Q258-L318 WeakPolarHBondContact O-CA 3.36Å; Q258-I319 PolarHBondContact N-O 3.38Å; Q258-I319 PolarHBondContact O-N 3.21Å; Q258-V357 HydrophobicContact CB-CG1 3.9Å; Q258-Q358 VanDerWaalsContact OE1-C 3.3Å; Q258-V359 PolarHBondContact NE2-O 2.72Å |
| 259 | L | 91 | Very high | 73.2 | Confident | 19 Ų | 19 | 73.3 Ų | 73.3 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.8 | 172.6 | -75.2 | 169 | 0 | 0 | 0 | 111 | D216 D218 V223 V316 L318 L332 | D216-L259 WeakPolarHBondContact OD2-CB 3.31Å; D216-L259 PolarHBondContact OD2-N 3.02Å; D218-L259 HydrophobicContact CB-CD1 4.31Å; V223-L259 HydrophobicContact CG2-CD1 3.95Å; V223-L259 HydrophobicContact CG2-CD2 3.97Å; V223-L259 HydrophobicContact CG2-CG 4.16Å; L259-V316 HydrophobicContact CD2-CB 4.5Å; L259-V316 HydrophobicContact CD2-CG2 3.81Å; L259-L318 HydrophobicContact CD2-CB 4.17Å; L259-L318 HydrophobicContact CD2-CD1 4.08Å; L259-L318 HydrophobicContact CG-CD1 4.32Å; L259-L332 HydrophobicContact CD2-CD1 3.75Å |
| 260 | L | 86.3 | Confident | 70.4 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.12 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 112.7 | 174.4 | -63.6 | 166.1 | 0 | 0 | 0 | 108.6 | L262 V316 L317 I319 V359 | L260-L262 PolarHBondContact O-N 3.38Å; L260-V316 WeakPolarHBondContact O-CA 3.25Å; L260-V316 WeakPolarHBondContact O-CB 3.38Å; L260-L317 HydrophobicContact CB-CB 4.25Å; L260-L317 WeakPolarHBondContact CB-O 3.46Å; L260-L317 HydrophobicContact CD1-CD2 4.24Å; L260-L317 PolarHBondContact N-O 2.93Å; L260-L317 PolarHBondContact O-N 3.01Å; L260-I319 HydrophobicContact CD1-CD1 3.77Å; L260-I319 HydrophobicContact CD1-CG1 3.98Å; L260-V359 HydrophobicContact CD1-CB 3.92Å; L260-V359 HydrophobicContact CD1-CG1 3.75Å; L260-V359 HydrophobicContact CD1-CG2 4.01Å; L260-V359 HydrophobicContact CD2-CB 3.86Å; L260-V359 HydrophobicContact CD2-CG1 3.85Å; L260-V359 HydrophobicContact CG-CB 4.42Å; L260-V359 HydrophobicContact CG-CG1 4.45Å |
| 261 | S | 75.1 | Confident | 67.3 | Low | 76 Ų | 76 | 82.9 Ų | 82.9 | 53% | 0.531 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 119.2 | 169.3 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 262 | L | 67.5 | Low | 64.3 | Low | 77 Ų | 77 | 84.5 Ų | 84.5 | 40% | 0.403 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 146.3 | 172.2 | -63.3 | 174.2 | 0 | 0 | 0 | 109.4 | L260 H264 L317 | L260-L262 PolarHBondContact O-N 3.38Å; L262-H264 PolarHBondContact O-N 3.36Å; L262-L317 HydrophobicContact CD2-CB 4.43Å |
| 263 | P | 54.7 | Low | 61.4 | Low | 92 Ų | 92 | 88.4 Ų | 88.4 | 60% | 0.597 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 124.7 | 170 | -20.2 | 32.6 | 0 | 0 | 0 | 109.4 | Y265 P283 | P263-Y265 PolarHBondContact O-N 3.21Å; P263-Y265 VanDerWaalsContact O-N 3.17Å; P263-P283 HydrophobicContact CB-CG 4.37Å |
| 264 | H | 45.8 | Very low | 58.1 | Low | 141 Ų | 141 | 95.6 Ų | 95.6 | 65% | 0.653 | 49% | 0.493 | S | S | * | . | trans | -77.6 | 101.1 | 170.1 | -168.9 | 76.7 | 0 | 0 | 0 | 107.9 | L262 Q266 | L262-H264 PolarHBondContact O-N 3.36Å; H264-Q266 PolarHBondContact O-N 2.88Å; H264-Q266 VanDerWaalsContact O-N 3.11Å | ||
| 265 | Y | 40.6 | Very low | 55.1 | Low | 192 Ų | 192 | 103.1 Ų | 103.1 | 75% | 0.753 | 53% | 0.531 | S | S | * | . | trans | -70 | 101.9 | 166.6 | -115.9 | -90.9 | 0 | 0 | 0 | 107.1 | P263 L267 | P263-Y265 PolarHBondContact O-N 3.21Å; P263-Y265 VanDerWaalsContact O-N 3.17Å; Y265-L267 PolarHBondContact O-N 2.88Å | ||
| 266 | Q | 34.6 | Very low | 51.7 | Low | 157 Ų | 157 | 106 Ų | 106 | 73% | 0.734 | 55% | 0.553 | S | S | * | * | trans | -66.5 | 107 | 162.6 | -70.2 | -172.6 | -27.6 | 0 | 0 | 106.4 | H264 N268 | H264-Q266 PolarHBondContact O-N 2.88Å; H264-Q266 VanDerWaalsContact O-N 3.11Å; Q266-N268 PolarHBondContact O-N 3.34Å | ||
| 267 | L | 27.2 | Very low | 48.2 | Very low | 142 Ų | 142 | 108.7 Ų | 108.7 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | trans | -60.9 | 107.8 | 167.8 | -148.1 | 92.2 | 0 | 0 | 0 | 106 | Y265 N269 | Y265-L267 PolarHBondContact O-N 2.88Å; L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.76Å | ||
| 268 | N | 27.6 | Very low | 44.9 | Very low | 123 Ų | 123 | 117.9 Ų | 117.9 | 66% | 0.658 | 62% | 0.616 | S | S | * | * | trans | -68 | 94.8 | 172.9 | -170.6 | 8.7 | 0 | 0 | 0 | 107 | Q266 N270 | Q266-N268 PolarHBondContact O-N 3.34Å; N268-N270 PolarHBondContact O-N 3.11Å; N268-N270 VanDerWaalsContact OD1-CG 3.32Å; N268-N270 PolarHBondContact OD1-ND2 3.24Å | ||
| 269 | N | 25.9 | Very low | 41.7 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 68% | 0.684 | 64% | 0.641 | S | S | * | * | trans | -70.8 | 66.3 | 166.8 | -87.4 | -1.1 | 0 | 0 | 0 | 108.9 | L267 | L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.76Å | ||
| 270 | N | 32.2 | Very low | 38.6 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -106.1 | 106.5 | 159.4 | -82.9 | -9.8 | 0 | 0 | 0 | 106.2 | N268 N272 | N268-N270 PolarHBondContact O-N 3.11Å; N268-N270 VanDerWaalsContact OD1-CG 3.32Å; N268-N270 PolarHBondContact OD1-ND2 3.24Å; N270-N272 PolarHBondContact O-N 3.06Å | ||
| 271 | N | 30.7 | Very low | 35.7 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | trans | -66.5 | 43.2 | 175.4 | -75.5 | -15.9 | 0 | 0 | 0 | 113.2 | ||||
| 272 | N | 32.9 | Very low | 33.4 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | trans | -113.6 | 109.4 | 172.1 | -71.6 | -7.8 | 0 | 0 | 0 | 107.6 | N270 N274 | N270-N272 PolarHBondContact O-N 3.06Å; N272-N274 PolarHBondContact O-N 2.86Å | ||
| 273 | N | 35.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | trans | -56.2 | 65.2 | -177.9 | -64.2 | -25.7 | 0 | 0 | 0 | 114.2 | ||||
| 274 | N | 28.6 | Very low | 30.3 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | -118.1 | 113.4 | 163.4 | -101.3 | -11.5 | 0 | 0 | 0 | 108.9 | N272 D276 | N272-N274 PolarHBondContact O-N 2.86Å; N274-D276 PolarHBondContact O-N 3.45Å | ||
| 275 | I | 34.8 | Very low | 29.4 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 81% | 0.81 | 70% | 0.704 | S | S | * | * | trans | -84.1 | 4 | -158.2 | -34.7 | 170.1 | 0 | 0 | 0 | 111.8 | ||||
| 276 | D | 26.1 | Very low | 28.9 | Very low | 137 Ų | 137 | 125 Ų | 125 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | -119.3 | 61.7 | -174.7 | -61.5 | -38 | 0 | 0 | 0 | 111.7 | N274 Y278 | N274-D276 PolarHBondContact O-N 3.45Å; D276-Y278 PolarHBondContact O-N 2.97Å | ||
| 277 | G | 24 | Very low | 28.7 | Very low | 67 Ų | 67 | 122.4 Ų | 122.4 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | -74.9 | 55.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C279 | G277-C279 VanDerWaalsContact C-N 3.27Å; G277-C279 PolarHBondContact O-N 2.99Å | ||
| 278 | Y | 26.6 | Very low | 28.9 | Very low | 208 Ų | 208 | 120.1 Ų | 120.1 | 82% | 0.816 | 67% | 0.673 | S | S | * | * | trans | -76.7 | 80.2 | 164.1 | -69.4 | -82.4 | 0 | 0 | 0 | 109.2 | D276 S280 | D276-Y278 PolarHBondContact O-N 2.97Å; Y278-S280 VanDerWaalsContact C-N 3.31Å; Y278-S280 PolarHBondContact O-N 3.19Å | ||
| 279 | C | 28.2 | Very low | 29.3 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 62% | 0.622 | 65% | 0.649 | S | S | * | * | trans | -72.9 | 92.9 | 165.7 | -160.4 | 0 | 0 | 0 | 0 | 108.1 | G277 T281 | G277-C279 VanDerWaalsContact C-N 3.27Å; G277-C279 PolarHBondContact O-N 2.99Å; C279-T281 PolarHBondContact O-N 3.23Å; C279-T281 PolarHBondContact SG-OG1 3.31Å | ||
| 280 | S | 25.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 112.8 Ų | 112.8 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -69.3 | 12.3 | 173.8 | -161.7 | 0 | 0 | 0 | 0 | 113.1 | Y278 S282 | Y278-S280 VanDerWaalsContact C-N 3.31Å; Y278-S280 PolarHBondContact O-N 3.19Å; S280-S282 PolarHBondContact O-N 2.94Å | ||
| 281 | T | 26.7 | Very low | 29.9 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 60% | 0.595 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -74 | 101.1 | 163.1 | 70.6 | 0 | 0 | 0 | 0 | 106.1 | C279 | C279-T281 PolarHBondContact O-N 3.23Å; C279-T281 PolarHBondContact SG-OG1 3.31Å |
| 282 | S | 26.7 | Very low | 30.1 | Very low | 94 Ų | 94 | 106.1 Ų | 106.1 | 66% | 0.657 | 61% | 0.606 | S | S | * | * | trans | -41.1 | 132 | 159.7 | -74.2 | 0 | 0 | 0 | 0 | 106.5 | S280 V284 | S280-S282 PolarHBondContact O-N 2.94Å; S282-V284 PolarHBondContact O-N 3.12Å | ||
| 283 | P | 28.1 | Very low | 30.2 | Very low | 69 Ų | 69 | 101 Ų | 101 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | trans | -46 | 120.8 | -176.5 | 19.3 | -31.4 | 0 | 0 | 0 | 105.1 | P263 H285 | P263-P283 HydrophobicContact CB-CG 4.37Å; P283-H285 PolarHBondContact O-N 3.13Å | ||
| 284 | V | 28.3 | Very low | 30 | Very low | 107 Ų | 107 | 98.7 Ų | 98.7 | 65% | 0.648 | 57% | 0.568 | S | S | * | * | trans | -55.1 | 95.1 | 163.7 | 176.8 | 0 | 0 | 0 | 0 | 100.6 | S282 C286 | S282-V284 PolarHBondContact O-N 3.12Å; V284-C286 PolarHBondContact O-N 2.97Å | ||
| 285 | H | 27.8 | Very low | 30.1 | Very low | 133 Ų | 133 | 96.5 Ų | 96.5 | 62% | 0.616 | 56% | 0.562 | S | S | * | * | trans | -50.6 | 101.8 | 160.3 | -98.9 | -73.8 | 0 | 0 | 0 | 98.6 | P283 I287 | P283-H285 PolarHBondContact O-N 3.13Å; H285-I287 WeakPolarHBondContact O-CG1 3.44Å; H285-I287 PolarHBondContact O-N 3.38Å | ||
| 286 | C | 29.1 | Very low | 29.9 | Very low | 92 Ų | 92 | 91.3 Ų | 91.3 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | trans | -49.8 | 104.5 | 162.2 | -66.5 | 0 | 0 | 0 | 0 | 99.9 | V284 H288 | V284-C286 PolarHBondContact O-N 2.97Å; C286-H288 PolarHBondContact O-N 3.06Å | ||
| 287 | I | 30.3 | Very low | 30.1 | Very low | 101 Ų | 101 | 88.9 Ų | 88.9 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | trans | -75.3 | 54.9 | 178.8 | -33 | 171.5 | 0 | 0 | 0 | 103.2 | I179 H285 E289 | I179-I287 HydrophobicContact CD1-CD1 4.24Å; H285-I287 WeakPolarHBondContact O-CG1 3.44Å; H285-I287 PolarHBondContact O-N 3.38Å; I287-E289 HydrophobicContact CG2-CG 4.35Å; I287-E289 PolarHBondContact O-N 3.48Å | ||
| 288 | H | 32 | Very low | 30.5 | Very low | 95 Ų | 95 | 92.3 Ų | 92.3 | 44% | 0.44 | 54% | 0.535 | S | S | . | . | trans | -57.1 | 84.5 | 147.1 | -110.8 | -90.6 | 0 | 0 | 0 | 102.6 | C286 S290 | C286-H288 PolarHBondContact O-N 3.06Å; H288-S290 VanDerWaalsContact C-N 3.33Å; H288-S290 PolarHBondContact O-N 2.57Å | ||
| 289 | E | 36.2 | Very low | 30.5 | Very low | 34 Ų | 34 | 85.9 Ų | 85.9 | 16% | 0.159 | 52% | 0.52 | C | S | . | . | trans | -42.6 | 109.1 | 166.3 | -74 | -178.9 | 142.7 | 0 | 0 | 106.1 | V184 R188 I287 I291 S293 | V184-E289 WeakPolarHBondContact CG1-OE1 3.48Å; R188-E289 IonicContact CZ-OE1 3.43Å; R188-E289 IonicContact NE-OE1 3.21Å; R188-E289 PolarHBondContact NE-OE1 2.7Å; R188-E289 IonicContact NH2-OE1 3.12Å; R188-E289 PolarHBondContact NH2-OE1 2.87Å; I287-E289 HydrophobicContact CG2-CG 4.35Å; I287-E289 PolarHBondContact O-N 3.48Å; E289-I291 PolarHBondContact O-N 2.8Å; E289-S293 PolarHBondContact O-OG 3.26Å | ||
| 290 | S | 33.8 | Very low | 30.5 | Very low | 63 Ų | 63 | 90.2 Ų | 90.2 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 124.6 | -175.8 | -5.7 | 0 | 0 | 0 | 0 | 108 | H288 A292 | H288-S290 VanDerWaalsContact C-N 3.33Å; H288-S290 PolarHBondContact O-N 2.57Å; S290-A292 PolarHBondContact O-N 2.95Å |
| 291 | I | 36.9 | Very low | 30.7 | Very low | 79 Ų | 79 | 93.1 Ų | 93.1 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -23.7 | 162.7 | -54.1 | 137.2 | 0 | 0 | 0 | 117 | C217 D218 E289 | C217-I291 HydrophobicContact CB-CD1 4.47Å; C217-I291 WeakPolarHBondContact SG-CD1 3.39Å; D218-I291 WeakPolarHBondContact O-CG1 3.48Å; E289-I291 PolarHBondContact O-N 2.8Å |
| 292 | A | 33.9 | Very low | 30.9 | Very low | 40 Ų | 40 | 93.6 Ų | 93.6 | 33% | 0.331 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -0 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L191 S290 | L191-A292 HydrophobicContact CD1-CB 3.32Å; L191-A292 HydrophobicContact CD2-CB 3.83Å; L191-A292 HydrophobicContact CG-CB 4.19Å; S290-A292 PolarHBondContact O-N 2.95Å |
| 293 | S | 35.8 | Very low | 31 | Very low | 33 Ų | 33 | 95.5 Ų | 95.5 | 23% | 0.231 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 32 | 178.9 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | E289 | E289-S293 PolarHBondContact O-OG 3.26Š|
| 294 | I | 31.2 | Very low | 31 | Very low | 109 Ų | 109 | 97.3 Ų | 97.3 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -55.1 | 131.5 | 155.7 | -57.9 | 168.7 | 0 | 0 | 0 | 106.3 | C296 | I294-C296 PolarHBondContact O-N 2.73Š|
| 295 | P | 29.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 96.3 Ų | 96.3 | 71% | 0.708 | 55% | 0.545 | S | S | * | . | trans | -54.3 | 109.6 | 175.2 | 18.4 | -28.3 | 0 | 0 | 0 | 108.5 | S297 | P295-S297 PolarHBondContact O-N 2.91Š| ||
| 296 | C | 31.9 | Very low | 31.1 | Very low | 49 Ų | 49 | 95.9 Ų | 95.9 | 33% | 0.331 | 55% | 0.552 | S | S | . | * | trans | -62.8 | 105.9 | 171.6 | 179.2 | 0 | 0 | 0 | 0 | 105.7 | I294 L298 C299 | I294-C296 PolarHBondContact O-N 2.73Å; C296-L298 PolarHBondContact O-N 3.23Å; C296-C299 HydrophobicContact CB-CB 4.23Å; C296-C299 PolarHBondContact O-N 3.26Å; C296-C299 VanDerWaalsContact SG-SG 3.61Å | ||
| 297 | S | 30.5 | Very low | 31.3 | Very low | 86 Ų | 86 | 98 Ų | 98 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -8.3 | 176.8 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | P295 | P295-S297 PolarHBondContact O-N 2.91Š|
| 298 | L | 30.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 97.4 Ų | 97.4 | 73% | 0.733 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -17.1 | 169.7 | -104.2 | 90.8 | 0 | 0 | 0 | 114.2 | C296 K300 | C296-L298 PolarHBondContact O-N 3.23Å; L298-K300 PolarHBondContact O-N 2.81Å; L298-K300 VanDerWaalsContact O-N 3.11Å |
| 299 | C | 28.4 | Very low | 31.3 | Very low | 73 Ų | 73 | 101.1 Ų | 101.1 | 49% | 0.493 | 57% | 0.574 | S | S | . | * | trans | -87.7 | 59 | 176.3 | -61 | 0 | 0 | 0 | 0 | 110.3 | C296 L301 | C296-C299 HydrophobicContact CB-CB 4.23Å; C296-C299 PolarHBondContact O-N 3.26Å; C296-C299 VanDerWaalsContact SG-SG 3.61Å; C299-L301 PolarHBondContact O-N 2.77Å | ||
| 300 | K | 26.6 | Very low | 31.2 | Very low | 182 Ų | 182 | 105.2 Ų | 105.2 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 26.3 | 179.2 | -83.1 | -170.8 | 175.3 | -175.6 | 0 | 114.6 | L298 | L298-K300 PolarHBondContact O-N 2.81Å; L298-K300 VanDerWaalsContact O-N 3.11Å |
| 301 | L | 30.2 | Very low | 31.9 | Very low | 170 Ų | 170 | 110.4 Ų | 110.4 | 89% | 0.89 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 8.8 | -176.9 | -119 | 94.9 | 0 | 0 | 0 | 115.9 | C299 | C299-L301 PolarHBondContact O-N 2.77Š|
| 302 | D | 30.4 | Very low | 33.1 | Very low | 107 Ų | 107 | 111.7 Ų | 111.7 | 57% | 0.572 | 62% | 0.619 | S | S | * | * | trans | -144.2 | 94.7 | 170.7 | -146.2 | -18 | 0 | 0 | 0 | 111.1 | T304 | D302-T304 PolarHBondContact OD1-OG1 3.43Š| ||
| 303 | T | 28.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 110.9 Ų | 110.9 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | trans | -85.6 | 8.9 | 176.4 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 304 | T | 28.8 | Very low | 36.4 | Very low | 108 Ų | 108 | 111.5 Ų | 111.5 | 66% | 0.663 | 61% | 0.614 | S | S | * | * | trans | -98.7 | -7.8 | -172.1 | 68.3 | 0 | 0 | 0 | 0 | 114.9 | D302 T306 | D302-T304 PolarHBondContact OD1-OG1 3.43Å; T304-T306 PolarHBondContact O-N 3.32Å | ||
| 305 | V | 32.8 | Very low | 38.7 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 52% | 0.515 | 60% | 0.603 | S | S | . | * | trans | -99.1 | 82.9 | 176.5 | -170.4 | 0 | 0 | 0 | 0 | 110 | Y307 | V305-Y307 HydrophobicContact CG1-CD1 4.48Å; V305-Y307 HydrophobicContact CG1-CD2 4.33Å; V305-Y307 HydrophobicContact CG1-CE1 4.2Å; V305-Y307 HydrophobicContact CG1-CE2 4.05Å; V305-Y307 PolarHBondContact O-N 3.08Å | ||
| 306 | T | 24.7 | Very low | 41.3 | Very low | 125 Ų | 125 | 104.5 Ų | 104.5 | 77% | 0.767 | 57% | 0.569 | S | S | * | * | trans | -72 | 100.2 | 160.8 | 42.8 | 0 | 0 | 0 | 0 | 107.9 | T304 P308 | T304-T306 PolarHBondContact O-N 3.32Å; T306-P308 WeakPolarHBondContact O-CD 3.34Å | ||
| 307 | Y | 35 | Very low | 44 | Very low | 136 Ų | 136 | 104.4 Ų | 104.4 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | trans | -61.3 | 123.7 | 166.9 | -68.9 | -80.4 | 0 | 0 | 0 | 107.6 | V305 N309 | V305-Y307 HydrophobicContact CG1-CD1 4.48Å; V305-Y307 HydrophobicContact CG1-CD2 4.33Å; V305-Y307 HydrophobicContact CG1-CE1 4.2Å; V305-Y307 HydrophobicContact CG1-CE2 4.05Å; V305-Y307 PolarHBondContact O-N 3.08Å; Y307-N309 PolarHBondContact O-N 2.96Å | ||
| 308 | P | 28.4 | Very low | 47 | Very low | 89 Ų | 89 | 100.3 Ų | 100.3 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | trans | -57.6 | 120.1 | 174.5 | 20.1 | -29.1 | 0 | 0 | 0 | 108.4 | T306 C310 | T306-P308 WeakPolarHBondContact O-CD 3.34Å; P308-C310 PolarHBondContact O-N 3.14Å | ||
| 309 | N | 32.4 | Very low | 50 | Low | 173 Ų | 173 | 94.4 Ų | 94.4 | 93% | 0.925 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -67.2 | 16.6 | -170.7 | -84.4 | -29.9 | 0 | 0 | 0 | 115 | Y307 | Y307-N309 PolarHBondContact O-N 2.96Š|
| 310 | C | 34.9 | Very low | 53.3 | Low | 119 Ų | 119 | 91 Ų | 91 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | trans | -141 | 63 | -174.7 | -158.1 | 0 | 0 | 0 | 0 | 111.7 | P308 | P308-C310 PolarHBondContact O-N 3.14Š| ||
| 311 | W | 49.4 | Very low | 56.6 | Low | 172 Ų | 172 | 82.3 Ų | 82.3 | 65% | 0.652 | 44% | 0.444 | S | S | * | . | trans | -100.6 | 107.1 | 159.4 | -75.6 | 80.8 | 0 | 0 | 0 | 107.9 | ||||
| 312 | E | 60.3 | Low | 59.8 | Low | 107 Ų | 107 | 74.2 Ų | 74.2 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 135.5 | 168 | -167.9 | 164.1 | -143.4 | 0 | 0 | 108.9 | A334 T335 S336 | E312-A334 HydrophobicContact CG-CB 4.21Å; E312-A334 WeakPolarHBondContact CG-O 3.19Å; E312-T335 WeakPolarHBondContact OE1-CA 3.47Å; E312-S336 PolarHBondContact OE1-N 3.07Å |
| 313 | P | 66.9 | Low | 63 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -59 | 138.3 | 179 | -15.6 | 22.1 | 0 | 0 | 0 | 111.1 | Y220 A334 W338 | Y220-P313 HydrophobicContact CD1-CB 3.81Å; Y220-P313 HydrophobicContact CD1-CG 4.1Å; Y220-P313 HydrophobicContact CE1-CB 4.46Å; Y220-P313 HydrophobicContact CG-CB 3.96Å; P313-A334 HydrophobicContact CB-CB 3.52Å; P313-A334 VanDerWaalsContact CD-CB 3.4Å; P313-A334 HydrophobicContact CG-CB 3.39Å; P313-A334 WeakPolarHBondContact O-CB 3.45Å; P313-W338 HydrophobicContact CG-CZ2 4.26Å |
| 314 | P | 71.9 | Confident | 66.3 | Low | 47 Ų | 47 | 64.3 Ų | 64.3 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 156.5 | 174.4 | 27.6 | -34.2 | 0 | 0 | 0 | 111 | Y220 R221 | Y220-P314 HydrophobicContact CD2-CG 4.48Å; Y220-P314 HydrophobicContact CE2-CG 4.14Å; R221-P314 PolarHBondContact NH2-O 3.04Å |
| 315 | E | 79.5 | Confident | 69.5 | Low | 70 Ų | 70 | 61.4 Ų | 61.4 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -66 | 137.2 | 170.5 | -58.3 | -156.1 | 144.7 | 0 | 0 | 110.6 | R331 L332 S333 | E315-R331 IonicContact OE2-CZ 3.95Å; E315-R331 VanDerWaalsContact OE2-CZ 3.25Å; E315-R331 IonicContact OE2-NE 3.95Å; E315-R331 PolarHBondContact OE2-NE 3.06Å; E315-R331 IonicContact OE2-NH2 3.85Å; E315-R331 PolarHBondContact OE2-NH2 3.14Å; E315-L332 WeakPolarHBondContact CA-O 3.48Å; E315-S333 WeakPolarHBondContact OE1-CB 3.48Å; E315-S333 PolarHBondContact OE1-OG 3.48Å |
| 316 | V | 84.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 147.3 | 178.3 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | L259 L260 L332 | L259-V316 HydrophobicContact CD2-CB 4.5Å; L259-V316 HydrophobicContact CD2-CG2 3.81Å; L260-V316 WeakPolarHBondContact O-CA 3.25Å; L260-V316 WeakPolarHBondContact O-CB 3.38Å; V316-L332 HydrophobicContact CG2-CB 3.67Å; V316-L332 HydrophobicContact CG2-CD1 3.83Å; V316-L332 HydrophobicContact CG2-CG 4.04Å; V316-L332 PolarHBondContact N-O 3.04Å; V316-L332 VanDerWaalsContact N-O 3.11Å; V316-L332 PolarHBondContact O-N 3.1Å |
| 317 | L | 89.6 | Confident | 76 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.9 | 171.4 | -176.1 | 68.7 | 0 | 0 | 0 | 108.1 | L260 L262 L329 | L260-L317 HydrophobicContact CB-CB 4.25Å; L260-L317 WeakPolarHBondContact CB-O 3.46Å; L260-L317 HydrophobicContact CD1-CD2 4.24Å; L260-L317 PolarHBondContact N-O 2.93Å; L260-L317 PolarHBondContact O-N 3.01Å; L262-L317 HydrophobicContact CD2-CB 4.43Å; L317-L329 HydrophobicContact CD1-CB 4.47Å; L317-L329 HydrophobicContact CD1-CD2 4.48Å; L317-L329 HydrophobicContact CD2-CD2 4.31Å; L317-L329 HydrophobicContact CG-CD2 4.46Å |
| 318 | L | 92.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.9 | 173.8 | 168.1 | 71.8 | 0 | 0 | 0 | 108.6 | V223 I231 L247 V257 Q258 L259 L329 W330 L332 | V223-L318 HydrophobicContact CB-CD1 4.49Å; V223-L318 HydrophobicContact CG1-CD1 3.86Å; V223-L318 HydrophobicContact CG1-CD2 3.84Å; I231-L318 HydrophobicContact CD1-CD2 4.45Å; I231-L318 HydrophobicContact CG2-CD2 4.15Å; L247-L318 HydrophobicContact CD1-CD2 3.69Å; V257-L318 HydrophobicContact CB-CD1 4.1Å; Q258-L318 WeakPolarHBondContact O-CA 3.36Å; L259-L318 HydrophobicContact CD2-CB 4.17Å; L259-L318 HydrophobicContact CD2-CD1 4.08Å; L259-L318 HydrophobicContact CG-CD1 4.32Å; L318-L329 CarbonylContact O-C 3.59Å; L318-L329 WeakPolarHBondContact O-CA 3.39Å; L318-W330 HydrophobicContact CB-CB 4.12Å; L318-W330 HydrophobicContact CD2-CB 4.23Å; L318-W330 HydrophobicContact CD2-CG 4.1Å; L318-W330 HydrophobicContact CG-CB 4.47Å; L318-W330 HydrophobicContact CG-CG 4.43Å; L318-W330 PolarHBondContact N-O 2.9Å; L318-W330 PolarHBondContact O-N 2.99Å; L318-L332 HydrophobicContact CB-CD1 3.99Å; L318-L332 HydrophobicContact CB-CD2 4.23Å; L318-L332 HydrophobicContact CB-CG 3.97Å; L318-L332 HydrophobicContact CD2-CD1 4.29Å; L318-L332 HydrophobicContact CD2-CD2 4.15Å |
| 319 | I | 94.7 | Very high | 82 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135 | 170.2 | -42.5 | -160.1 | 0 | 0 | 0 | 108.6 | V257 Q258 L260 L327 K328 L329 V357 V359 | V257-I319 CarbonylContact C-O 3.56Å; V257-I319 VanDerWaalsContact CA-O 3.27Å; V257-I319 WeakPolarHBondContact CA-O 3.38Å; Q258-I319 PolarHBondContact N-O 3.38Å; Q258-I319 PolarHBondContact O-N 3.21Å; L260-I319 HydrophobicContact CD1-CD1 3.77Å; L260-I319 HydrophobicContact CD1-CG1 3.98Å; I319-L327 HydrophobicContact CG2-CD2 4.19Å; I319-K328 CarbonylContact C-O 3.56Å; I319-K328 WeakPolarHBondContact CA-O 3.48Å; I319-L329 HydrophobicContact CB-CD2 4.19Å; I319-L329 HydrophobicContact CD1-CD2 3.53Å; I319-L329 HydrophobicContact CG1-CD2 3.52Å; I319-L329 HydrophobicContact CG2-CD2 4.03Å; I319-V357 HydrophobicContact CB-CG2 4.38Å; I319-V357 HydrophobicContact CG2-CG2 3.85Å; I319-V359 HydrophobicContact CD1-CG2 3.34Å; I319-V359 HydrophobicContact CG1-CG2 4.44Å |
| 320 | S | 96.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.1 | 174.5 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | I231 H250 C256 L327 K328 W330 | I231-S320 WeakPolarHBondContact CD1-OG 3.49Å; H250-S320 PolarHBondContact NE2-OG 3.17Å; C256-S320 CarbonylContact O-C 3.5Å; C256-S320 VanDerWaalsContact O-CA 3.31Å; C256-S320 WeakPolarHBondContact O-CA 3.41Å; S320-L327 CarbonylContact O-C 3.46Å; S320-L327 VanDerWaalsContact O-CA 3.22Å; S320-L327 WeakPolarHBondContact O-CA 3.27Å; S320-L327 WeakPolarHBondContact O-CD2 3.39Å; S320-K328 PolarHBondContact N-O 2.82Å; S320-K328 PolarHBondContact O-N 3.46Å; S320-W330 PolarHBondContact OG-NE1 2.58Å |
| 321 | G | 97.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R255 C256 | R255-G321 PolarHBondContact N-O 3.46Å; C256-G321 PolarHBondContact N-O 3.02Å; C256-G321 PolarHBondContact O-N 3.47Å; C256-G321 VanDerWaalsContact SG-CA 3.6Å |
| 322 | S | 97.6 | Very high | 89 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 163.8 | -172.1 | 171.8 | 0 | 0 | 0 | 0 | 112.5 | H250 D252 A253 D324 T325 T326 V354 | H250-S322 WeakPolarHBondContact CE1-CB 3.5Å; H250-S322 WeakPolarHBondContact ND1-CB 3.22Å; D252-S322 PolarHBondContact O-OG 2.88Å; A253-S322 WeakPolarHBondContact O-CA 3.43Å; A253-S322 PolarHBondContact O-OG 2.76Å; S322-D324 WeakPolarHBondContact CB-OD1 3.21Å; S322-D324 PolarHBondContact O-N 2.89Å; S322-D324 PolarHBondContact OG-N 2.81Å; S322-D324 VanDerWaalsContact OG-N 3.17Å; S322-D324 PolarHBondContact OG-OD1 2.89Å; S322-D324 PolarHBondContact OG-OD2 3.17Å; S322-T325 PolarHBondContact O-N 3.32Å; S322-T326 PolarHBondContact N-O 3.35Å; S322-V354 PolarHBondContact O-N 2.61Å |
| 323 | A | 97.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D252 A253 T325 T353 | D252-A323 HydrophobicContact CB-CB 4.01Å; D252-A323 VanDerWaalsContact OD2-CB 3.29Å; D252-A323 WeakPolarHBondContact OD2-CB 3.48Å; A253-A323 PolarHBondContact O-N 3.37Å; A323-T325 PolarHBondContact O-N 3.22Å; A323-T353 HydrophobicContact CB-CG2 4.09Å |
| 324 | D | 96.5 | Very high | 89.4 | Confident | 22 Ų | 22 | 24.1 Ų | 24.1 | 12% | 0.118 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 11.7 | 172.1 | 67 | 20.7 | 0 | 0 | 0 | 114.6 | H250 S251 D252 S322 T326 | H250-D324 WeakPolarHBondContact CA-OD2 3.47Å; H250-D324 VanDerWaalsContact CB-OD2 3.27Å; H250-D324 WeakPolarHBondContact CB-OD2 3.47Å; H250-D324 IonicContact CE1-OD1 2.78Å; H250-D324 IonicContact CE1-OD2 3.25Å; H250-D324 IonicContact CG-OD2 2.97Å; H250-D324 IonicContact ND1-OD1 3.39Å; H250-D324 PolarHBondContact ND1-OD1 3Å; H250-D324 IonicContact ND1-OD2 2.68Å; H250-D324 PolarHBondContact ND1-OD2 3.45Å; S251-D324 PolarHBondContact N-OD2 2.89Å; S251-D324 WeakPolarHBondContact OG-CB 3.31Å; D252-D324 HydrophobicContact CB-CB 4Å; S322-D324 WeakPolarHBondContact CB-OD1 3.21Å; S322-D324 PolarHBondContact O-N 2.89Å; S322-D324 PolarHBondContact OG-N 2.81Å; S322-D324 VanDerWaalsContact OG-N 3.17Å; S322-D324 PolarHBondContact OG-OD1 2.89Å; S322-D324 PolarHBondContact OG-OD2 3.17Å; D324-T326 VanDerWaalsContact CG-OG1 3.29Å; D324-T326 WeakPolarHBondContact O-CG2 3.44Å; D324-T326 PolarHBondContact O-N 2.75Å; D324-T326 VanDerWaalsContact O-N 3.1Å; D324-T326 WeakPolarHBondContact OD1-CA 3.22Å; D324-T326 VanDerWaalsContact OD1-CB 3.31Å; D324-T326 WeakPolarHBondContact OD1-CB 3.16Å; D324-T326 PolarHBondContact OD1-N 2.97Å; D324-T326 PolarHBondContact OD1-OG1 2.77Å; D324-T326 PolarHBondContact OD2-OG1 2.8Å |
| 325 | T | 97.2 | Very high | 88.7 | Confident | 47 Ų | 47 | 24.1 Ų | 24.1 | 29% | 0.288 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 60.8 | 12.4 | -178 | 87.5 | 0 | 0 | 0 | 0 | 115.2 | S322 A323 H350 | S322-T325 PolarHBondContact O-N 3.32Å; A323-T325 PolarHBondContact O-N 3.22Å; T325-H350 WeakPolarHBondContact CB-O 3.25Å; T325-H350 WeakPolarHBondContact O-CB 3.47Å; T325-H350 PolarHBondContact OG1-O 3.07Å; T325-H350 VanDerWaalsContact OG1-O 3.07Å |
| 326 | T | 96.8 | Very high | 87.6 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 149.2 | 177.1 | 75.8 | 0 | 0 | 0 | 0 | 112.7 | H250 S322 D324 T346 Q348 | H250-T326 PolarHBondContact CE1-OG1 2.74Å; H250-T326 PolarHBondContact ND1-OG1 2.78Å; S322-T326 PolarHBondContact N-O 3.35Å; D324-T326 VanDerWaalsContact CG-OG1 3.29Å; D324-T326 WeakPolarHBondContact O-CG2 3.44Å; D324-T326 PolarHBondContact O-N 2.75Å; D324-T326 VanDerWaalsContact O-N 3.1Å; D324-T326 WeakPolarHBondContact OD1-CA 3.22Å; D324-T326 VanDerWaalsContact OD1-CB 3.31Å; D324-T326 WeakPolarHBondContact OD1-CB 3.16Å; D324-T326 PolarHBondContact OD1-N 2.97Å; D324-T326 PolarHBondContact OD1-OG1 2.77Å; D324-T326 PolarHBondContact OD2-OG1 2.8Å; T326-T346 HydrophobicContact CG2-CG2 4.03Å; T326-Q348 HydrophobicContact CG2-CG 4.1Å |
| 327 | L | 96.4 | Very high | 86 | Confident | 24 Ų | 24 | 30.6 Ų | 30.6 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.1 | 163.2 | -80.9 | 162.2 | 0 | 0 | 0 | 108 | I319 S320 T346 L347 V354 V357 | I319-L327 HydrophobicContact CG2-CD2 4.19Å; S320-L327 CarbonylContact O-C 3.46Å; S320-L327 VanDerWaalsContact O-CA 3.22Å; S320-L327 WeakPolarHBondContact O-CA 3.27Å; S320-L327 WeakPolarHBondContact O-CD2 3.39Å; L327-T346 CarbonylContact O-C 3.48Å; L327-T346 WeakPolarHBondContact O-CA 3.19Å; L327-L347 HydrophobicContact CB-CB 3.96Å; L327-L347 HydrophobicContact CB-CD1 4.35Å; L327-L347 PolarHBondContact N-O 3.47Å; L327-L347 PolarHBondContact O-N 2.81Å; L327-V354 HydrophobicContact CD2-CG1 3.78Å; L327-V354 HydrophobicContact CG-CG1 4.07Å; L327-V354 HydrophobicContact CG-CG2 4.29Å; L327-V357 HydrophobicContact CD2-CB 4.28Å; L327-V357 HydrophobicContact CD2-CG2 4.02Å |
| 328 | K | 95.5 | Very high | 84.4 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 10% | 0.1 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.9 | 176.5 | -71.2 | 178.6 | -170.1 | -85.2 | 0 | 111.5 | G249 I319 S320 W330 C345 T346 | G249-K328 WeakPolarHBondContact O-CE 3.45Å; G249-K328 PolarHBondContact O-NZ 2.79Å; I319-K328 CarbonylContact C-O 3.56Å; I319-K328 WeakPolarHBondContact CA-O 3.48Å; S320-K328 PolarHBondContact N-O 2.82Å; S320-K328 PolarHBondContact O-N 3.46Å; K328-W330 HydrophobicContact CB-CZ2 3.77Å; K328-W330 HydrophobicContact CD-CH2 4.14Å; K328-W330 HydrophobicContact CD-CZ2 3.71Å; K328-W330 HydrophobicContact CG-CZ2 4.37Å; K328-W330 PolarHBondContact O-NE1 3.11Å; K328-C345 WeakPolarHBondContact CA-O 3.13Å; K328-T346 HydrophobicContact CG-CG2 4.07Å; K328-T346 PolarHBondContact NZ-OG1 2.82Å |
| 329 | L | 94 | Very high | 82.3 | Confident | 35 Ų | 35 | 33.7 Ų | 33.7 | 18% | 0.183 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.4 | 175.7 | -68.4 | 172.1 | 0 | 0 | 0 | 108.8 | L317 L318 I319 C343 T344 C345 L347 | L317-L329 HydrophobicContact CD1-CB 4.47Å; L317-L329 HydrophobicContact CD1-CD2 4.48Å; L317-L329 HydrophobicContact CD2-CD2 4.31Å; L317-L329 HydrophobicContact CG-CD2 4.46Å; L318-L329 CarbonylContact O-C 3.59Å; L318-L329 WeakPolarHBondContact O-CA 3.39Å; I319-L329 HydrophobicContact CB-CD2 4.19Å; I319-L329 HydrophobicContact CD1-CD2 3.53Å; I319-L329 HydrophobicContact CG1-CD2 3.52Å; I319-L329 HydrophobicContact CG2-CD2 4.03Å; L329-C343 CarbonylContact O-C 3.51Å; L329-C343 WeakPolarHBondContact O-CA 3.05Å; L329-T344 PolarHBondContact O-N 3.45Å; L329-C345 HydrophobicContact CB-CB 4.21Å; L329-C345 HydrophobicContact CD1-CB 3.94Å; L329-C345 PolarHBondContact N-O 3.07Å; L329-L347 HydrophobicContact CD1-CD1 4.34Å |
| 330 | W | 92 | Very high | 80.3 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.1 | -178.5 | -41.3 | 77.2 | 0 | 0 | 0 | 109.5 | I231 L247 L318 S320 K328 L332 C343 | I231-W330 HydrophobicContact CD1-CZ2 3.97Å; L247-W330 HydrophobicContact CB-CD2 4.43Å; L247-W330 HydrophobicContact CB-CE3 3.9Å; L247-W330 HydrophobicContact CB-CH2 4.11Å; L247-W330 HydrophobicContact CB-CZ3 3.73Å; L247-W330 HydrophobicContact CD1-CB 4.26Å; L247-W330 HydrophobicContact CD1-CD2 3.92Å; L247-W330 HydrophobicContact CD1-CE3 3.96Å; L247-W330 HydrophobicContact CD1-CG 4.06Å; L247-W330 HydrophobicContact CG-CE3 4.36Å; L318-W330 HydrophobicContact CB-CB 4.12Å; L318-W330 HydrophobicContact CD2-CB 4.23Å; L318-W330 HydrophobicContact CD2-CG 4.1Å; L318-W330 HydrophobicContact CG-CB 4.47Å; L318-W330 HydrophobicContact CG-CG 4.43Å; L318-W330 PolarHBondContact N-O 2.9Å; L318-W330 PolarHBondContact O-N 2.99Å; S320-W330 PolarHBondContact OG-NE1 2.58Å; K328-W330 HydrophobicContact CB-CZ2 3.77Å; K328-W330 HydrophobicContact CD-CH2 4.14Å; K328-W330 HydrophobicContact CD-CZ2 3.71Å; K328-W330 HydrophobicContact CG-CZ2 4.37Å; K328-W330 PolarHBondContact O-NE1 3.11Å; W330-L332 HydrophobicContact CB-CD2 4.15Å; W330-L332 PolarHBondContact O-N 3.41Å; W330-C343 HydrophobicContact CD2-CB 4.45Å; W330-C343 HydrophobicContact CE3-CB 3.83Å; W330-C343 HydrophobicContact CH2-CB 4.23Å; W330-C343 HydrophobicContact CZ3-CB 3.7Å |
| 331 | R | 88 | Confident | 78.7 | Confident | 128 Ų | 128 | 43.1 Ų | 43.1 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.5 | 172.2 | -169.6 | 177.5 | -169.4 | 132.1 | -1.2 | 109.3 | E315 S333 I341 A342 | E315-R331 IonicContact OE2-CZ 3.95Å; E315-R331 VanDerWaalsContact OE2-CZ 3.25Å; E315-R331 IonicContact OE2-NE 3.95Å; E315-R331 PolarHBondContact OE2-NE 3.06Å; E315-R331 IonicContact OE2-NH2 3.85Å; E315-R331 PolarHBondContact OE2-NH2 3.14Å; R331-S333 PolarHBondContact O-N 2.62Å; R331-I341 WeakPolarHBondContact O-CG2 3.41Å; R331-A342 PolarHBondContact N-O 3.31Å |
| 332 | L | 84.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 86.6 | 175 | -43.4 | -175.4 | 0 | 0 | 0 | 109.4 | R221 V223 V233 L247 L259 E315 V316 L318 W330 I341 | R221-L332 PolarHBondContact NH2-O 2.94Å; V223-L332 HydrophobicContact CG2-CD1 4.17Å; V233-L332 HydrophobicContact CG2-CD1 4.48Å; L247-L332 HydrophobicContact CD1-CD2 3.92Å; L259-L332 HydrophobicContact CD2-CD1 3.75Å; E315-L332 WeakPolarHBondContact CA-O 3.48Å; V316-L332 HydrophobicContact CG2-CB 3.67Å; V316-L332 HydrophobicContact CG2-CD1 3.83Å; V316-L332 HydrophobicContact CG2-CG 4.04Å; V316-L332 PolarHBondContact N-O 3.04Å; V316-L332 VanDerWaalsContact N-O 3.11Å; V316-L332 PolarHBondContact O-N 3.1Å; L318-L332 HydrophobicContact CB-CD1 3.99Å; L318-L332 HydrophobicContact CB-CD2 4.23Å; L318-L332 HydrophobicContact CB-CG 3.97Å; L318-L332 HydrophobicContact CD2-CD1 4.29Å; L318-L332 HydrophobicContact CD2-CD2 4.15Å; W330-L332 HydrophobicContact CB-CD2 4.15Å; W330-L332 PolarHBondContact O-N 3.41Å; L332-I341 HydrophobicContact CB-CD1 3.97Å; L332-I341 HydrophobicContact CD2-CD1 3.69Å; L332-I341 HydrophobicContact CD2-CG1 4.43Å; L332-I341 HydrophobicContact CD2-CG2 3.44Å; L332-I341 VanDerWaalsContact CD2-CG2 3.44Å; L332-I341 HydrophobicContact CG-CD1 4.39Å |
| 333 | S | 73.9 | Confident | 76.7 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | trans | -76 | 136.3 | 166.2 | -167.4 | 0 | 0 | 0 | 0 | 109 | E315 R331 | E315-S333 WeakPolarHBondContact OE1-CB 3.48Å; E315-S333 PolarHBondContact OE1-OG 3.48Å; R331-S333 PolarHBondContact O-N 2.62Å | ||
| 334 | A | 61.7 | Low | 76.2 | Confident | 7 Ų | 7 | 52 Ų | 52 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | trans | -100.2 | 88 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | R221 E312 P313 W338 | R221-A334 VanDerWaalsContact NH2-CB 3.28Å; E312-A334 HydrophobicContact CG-CB 4.21Å; E312-A334 WeakPolarHBondContact CG-O 3.19Å; P313-A334 HydrophobicContact CB-CB 3.52Å; P313-A334 VanDerWaalsContact CD-CB 3.4Å; P313-A334 HydrophobicContact CG-CB 3.39Å; P313-A334 WeakPolarHBondContact O-CB 3.45Å; A334-W338 HydrophobicContact CB-CZ2 4.41Å | ||
| 335 | T | 57.2 | Low | 76 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | trans | -80.8 | 154 | 146.9 | 49.1 | 0 | 0 | 0 | 0 | 107.2 | E312 N337 W338 | E312-T335 WeakPolarHBondContact OE1-CA 3.47Å; T335-N337 VanDerWaalsContact CB-OD1 3.25Å; T335-N337 WeakPolarHBondContact CB-OD1 3.13Å; T335-N337 PolarHBondContact O-N 2.83Å; T335-N337 PolarHBondContact OG1-OD1 2.83Å; T335-W338 PolarHBondContact O-N 2.9Å | ||
| 336 | S | 55.2 | Low | 75.8 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 79% | 0.79 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -27.3 | 176.2 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | E312 | E312-S336 PolarHBondContact OE1-N 3.07Š|
| 337 | N | 51.1 | Low | 75.7 | Confident | 94 Ų | 94 | 57 Ų | 57 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.5 | 178.4 | 60.1 | 2.3 | 0 | 0 | 0 | 115.6 | T335 S339 | T335-N337 VanDerWaalsContact CB-OD1 3.25Å; T335-N337 WeakPolarHBondContact CB-OD1 3.13Å; T335-N337 PolarHBondContact O-N 2.83Å; T335-N337 PolarHBondContact OG1-OD1 2.83Å; N337-S339 PolarHBondContact ND2-OG 2.89Å; N337-S339 WeakPolarHBondContact O-CA 3.02Å; N337-S339 WeakPolarHBondContact O-CB 3.42Å; N337-S339 PolarHBondContact O-N 3.19Å; N337-S339 PolarHBondContact OD1-OG 2.75Å; N337-S339 VanDerWaalsContact OD1-OG 3.1Å |
| 338 | W | 56 | Low | 75.5 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | trans | 46 | 16.6 | -178 | -74 | 73.5 | 0 | 0 | 0 | 114.5 | R221 V233 V244 Q245 P313 A334 T335 R340 I341 | R221-W338 HydrophobicContact CG-CH2 3.96Å; V233-W338 HydrophobicContact CB-CZ3 4.48Å; V233-W338 HydrophobicContact CG1-CH2 4.23Å; V233-W338 HydrophobicContact CG1-CZ3 3.74Å; V244-W338 HydrophobicContact CB-CE3 4.5Å; V244-W338 HydrophobicContact CG1-CB 4.37Å; V244-W338 HydrophobicContact CG1-CD2 3.44Å; V244-W338 VanDerWaalsContact CG1-CD2 3.44Å; V244-W338 HydrophobicContact CG1-CE3 3.75Å; V244-W338 HydrophobicContact CG1-CG 3.72Å; V244-W338 HydrophobicContact CG1-CH2 4.4Å; V244-W338 HydrophobicContact CG1-CZ2 4.18Å; V244-W338 HydrophobicContact CG1-CZ3 4.2Å; Q245-W338 PolarHBondContact NE2-O 3.43Å; Q245-W338 PolarHBondContact OE1-O 2.94Å; Q245-W338 VanDerWaalsContact OE1-O 3.14Å; P313-W338 HydrophobicContact CG-CZ2 4.26Å; A334-W338 HydrophobicContact CB-CZ2 4.41Å; T335-W338 PolarHBondContact O-N 2.9Å; W338-R340 PolarHBondContact O-N 3.26Å; W338-I341 HydrophobicContact CE3-CD1 4.04Å; W338-I341 HydrophobicContact CZ3-CD1 4.43Å | ||
| 339 | S | 49.2 | Very low | 75.3 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -13.9 | -157.5 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | N337 | N337-S339 PolarHBondContact ND2-OG 2.89Å; N337-S339 WeakPolarHBondContact O-CA 3.02Å; N337-S339 WeakPolarHBondContact O-CB 3.42Å; N337-S339 PolarHBondContact O-N 3.19Å; N337-S339 PolarHBondContact OD1-OG 2.75Å; N337-S339 VanDerWaalsContact OD1-OG 3.1Å |
| 340 | R | 52.8 | Low | 75.3 | Confident | 194 Ų | 194 | 68.8 Ų | 68.8 | 73% | 0.732 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 18.7 | -173.8 | -78.3 | -158.3 | 162.8 | 95.3 | 0.6 | 115.5 | W338 A342 | W338-R340 PolarHBondContact O-N 3.26Å; R340-A342 PolarHBondContact O-N 3.07Å |
| 341 | I | 63.1 | Low | 75.5 | Confident | 21 Ų | 21 | 75.5 Ų | 75.5 | 11% | 0.108 | 43% | 0.428 | C | S | . | . | trans | -75.5 | 104.5 | 172.7 | -49 | -167 | 0 | 0 | 0 | 109.5 | L247 R331 L332 W338 | L247-I341 HydrophobicContact CD1-CG2 4.32Å; L247-I341 HydrophobicContact CD2-CB 4.07Å; L247-I341 HydrophobicContact CD2-CG2 3.41Å; L247-I341 VanDerWaalsContact CD2-CG2 3.41Å; R331-I341 WeakPolarHBondContact O-CG2 3.41Å; L332-I341 HydrophobicContact CB-CD1 3.97Å; L332-I341 HydrophobicContact CD2-CD1 3.69Å; L332-I341 HydrophobicContact CD2-CG1 4.43Å; L332-I341 HydrophobicContact CD2-CG2 3.44Å; L332-I341 VanDerWaalsContact CD2-CG2 3.44Å; L332-I341 HydrophobicContact CG-CD1 4.39Å; W338-I341 HydrophobicContact CE3-CD1 4.04Å; W338-I341 HydrophobicContact CZ3-CD1 4.43Å | ||
| 342 | A | 70.3 | Confident | 75.8 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 48% | 0.479 | 43% | 0.427 | S | S | . | . | trans | -115.9 | 146.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R331 R340 T344 | R331-A342 PolarHBondContact N-O 3.31Å; R340-A342 PolarHBondContact O-N 3.07Å; A342-T344 PolarHBondContact O-N 2.68Å; A342-T344 PolarHBondContact O-OG1 2.97Å | ||
| 343 | C | 81.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 32% | 0.324 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 111.1 | 160.4 | 177.2 | 0 | 0 | 0 | 0 | 107.2 | L329 W330 | L329-C343 CarbonylContact O-C 3.51Å; L329-C343 WeakPolarHBondContact O-CA 3.05Å; W330-C343 HydrophobicContact CD2-CB 4.45Å; W330-C343 HydrophobicContact CE3-CB 3.83Å; W330-C343 HydrophobicContact CH2-CB 4.23Å; W330-C343 HydrophobicContact CZ3-CB 3.7Å |
| 344 | T | 86.8 | Confident | 77.5 | Confident | 93 Ų | 93 | 75 Ų | 75 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -37.2 | -177.6 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | L329 A342 | L329-T344 PolarHBondContact O-N 3.45Å; A342-T344 PolarHBondContact O-N 2.68Å; A342-T344 PolarHBondContact O-OG1 2.97Å |
| 345 | C | 91.7 | Very high | 79.2 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 35% | 0.345 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 144.4 | -177.9 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | K328 L329 | K328-C345 WeakPolarHBondContact CA-O 3.13Å; L329-C345 HydrophobicContact CB-CB 4.21Å; L329-C345 HydrophobicContact CD1-CB 3.94Å; L329-C345 PolarHBondContact N-O 3.07Å |
| 346 | T | 94.1 | Very high | 80.9 | Confident | 51 Ų | 51 | 86.2 Ų | 86.2 | 31% | 0.313 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.1 | 168.1 | -58.2 | 0 | 0 | 0 | 0 | 107.6 | T326 L327 K328 Q348 | T326-T346 HydrophobicContact CG2-CG2 4.03Å; L327-T346 CarbonylContact O-C 3.48Å; L327-T346 WeakPolarHBondContact O-CA 3.19Å; K328-T346 HydrophobicContact CG-CG2 4.07Å; K328-T346 PolarHBondContact NZ-OG1 2.82Å; T346-Q348 HydrophobicContact CG2-CG 4.09Å |
| 347 | L | 94.1 | Very high | 82.7 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.4 | 174.4 | -56.7 | 174.4 | 0 | 0 | 0 | 107.9 | L327 L329 | L327-L347 HydrophobicContact CB-CB 3.96Å; L327-L347 HydrophobicContact CB-CD1 4.35Å; L327-L347 PolarHBondContact N-O 3.47Å; L327-L347 PolarHBondContact O-N 2.81Å; L329-L347 HydrophobicContact CD1-CD1 4.34Å |
| 348 | Q | 92.6 | Very high | 84.6 | Confident | 165 Ų | 165 | 84.9 Ų | 84.9 | 77% | 0.771 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.5 | 177.5 | -65.5 | -179.3 | -28 | 0 | 0 | 109 | T326 T346 | T326-Q348 HydrophobicContact CG2-CG 4.1Å; T346-Q348 HydrophobicContact CG2-CG 4.09Å |
| 349 | G | 91.6 | Very high | 85.9 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 72% | 0.722 | 47% | 0.474 | S | S | * | . | trans | 160 | -22.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 350 | H | 94.2 | Very high | 87.2 | Confident | 95 Ų | 95 | 86.7 Ų | 86.7 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | trans | -72.5 | 139.5 | 170.9 | -66.8 | -81.1 | 0 | 0 | 0 | 110.6 | T325 V354 | T325-H350 WeakPolarHBondContact CB-O 3.25Å; T325-H350 WeakPolarHBondContact O-CB 3.47Å; T325-H350 PolarHBondContact OG1-O 3.07Å; T325-H350 VanDerWaalsContact OG1-O 3.07Å; H350-V354 HydrophobicContact CB-CG2 4.16Å | ||
| 351 | T | 95.3 | Very high | 87.7 | Confident | 146 Ų | 146 | 82.9 Ų | 82.9 | 90% | 0.896 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -94.6 | -5.1 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 352 | D | 95.8 | Very high | 86.8 | Confident | 87 Ų | 87 | 93 Ų | 93 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -147.2 | 173.7 | 179.2 | -169 | 11.3 | 0 | 0 | 0 | 109.5 | V354 R355 | D352-V354 PolarHBondContact O-N 2.74Å; D352-R355 IonicContact OD2-NH2 2.7Å |
| 353 | T | 97 | Very high | 87.7 | Confident | 36 Ų | 36 | 94.8 Ų | 94.8 | 22% | 0.221 | 53% | 0.53 | C | S | . | . | trans | -46.8 | 126.8 | -179.8 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | R255 A323 R355 | R255-T353 HydrophobicContact CG-CG2 3.84Å; A323-T353 HydrophobicContact CB-CG2 4.09Å; T353-R355 HydrophobicContact CG2-CG 4.2Å; T353-R355 PolarHBondContact O-N 3.1Å; T353-R355 VanDerWaalsContact O-N 3.16Å | ||
| 354 | V | 96.9 | Very high | 88 | Confident | 7 Ų | 7 | 97.2 Ų | 97.2 | 4% | 0.042 | 54% | 0.541 | C | S | . | . | trans | -76.4 | 104.9 | 172.5 | -174.7 | 0 | 0 | 0 | 0 | 109 | R255 S322 L327 H350 D352 | R255-V354 VanDerWaalsContact CB-O 3.23Å; R255-V354 WeakPolarHBondContact CB-O 3.29Å; S322-V354 PolarHBondContact O-N 2.61Å; L327-V354 HydrophobicContact CD2-CG1 3.78Å; L327-V354 HydrophobicContact CG-CG1 4.07Å; L327-V354 HydrophobicContact CG-CG2 4.29Å; H350-V354 HydrophobicContact CB-CG2 4.16Å; D352-V354 PolarHBondContact O-N 2.74Å | ||
| 355 | R | 95.7 | Very high | 88 | Confident | 183 Ų | 183 | 97.4 Ų | 97.4 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | trans | -85 | -31.3 | -174.1 | -65.7 | -172 | 177.2 | 104.7 | 9.1 | 114.2 | D352 T353 | D352-R355 IonicContact OD2-NH2 2.7Å; T353-R355 HydrophobicContact CG2-CG 4.2Å; T353-R355 PolarHBondContact O-N 3.1Å; T353-R355 VanDerWaalsContact O-N 3.16Å | ||
| 356 | C | 94.6 | Very high | 87.8 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 72% | 0.716 | 55% | 0.55 | S | S | * | * | trans | -147.4 | 154.6 | -179.9 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | C256 | C256-C356 VanDerWaalsContact SG-CA 3.59Š| ||
| 357 | V | 92.3 | Very high | 87.4 | Confident | 29 Ų | 29 | 103.3 Ų | 103.3 | 18% | 0.176 | 57% | 0.565 | C | S | . | * | trans | -134.1 | 137 | 171.9 | 67.8 | 0 | 0 | 0 | 0 | 107.6 | C256 Q258 I319 L327 | C256-V357 HydrophobicContact CB-CG1 4.1Å; C256-V357 PolarHBondContact SG-N 3.06Å; Q258-V357 HydrophobicContact CB-CG1 3.9Å; I319-V357 HydrophobicContact CB-CG2 4.38Å; I319-V357 HydrophobicContact CG2-CG2 3.85Å; L327-V357 HydrophobicContact CD2-CB 4.28Å; L327-V357 HydrophobicContact CD2-CG2 4.02Å | ||
| 358 | Q | 90.4 | Very high | 87 | Confident | 150 Ų | 150 | 104.6 Ų | 104.6 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | trans | -143 | 121.6 | 173 | -177.3 | 72.4 | -44.9 | 0 | 0 | 108.5 | Q258 | Q258-Q358 VanDerWaalsContact OE1-C 3.3Š| ||
| 359 | V | 83.9 | Confident | 86.6 | Confident | 49 Ų | 49 | 100.3 Ų | 100.3 | 30% | 0.297 | 56% | 0.56 | S | S | . | * | trans | -104.9 | 129.8 | 171.7 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | Q258 L260 I319 | Q258-V359 PolarHBondContact NE2-O 2.72Å; L260-V359 HydrophobicContact CD1-CB 3.92Å; L260-V359 HydrophobicContact CD1-CG1 3.75Å; L260-V359 HydrophobicContact CD1-CG2 4.01Å; L260-V359 HydrophobicContact CD2-CB 3.86Å; L260-V359 HydrophobicContact CD2-CG1 3.85Å; L260-V359 HydrophobicContact CG-CB 4.42Å; L260-V359 HydrophobicContact CG-CG1 4.45Å; I319-V359 HydrophobicContact CD1-CG2 3.34Å; I319-V359 HydrophobicContact CG1-CG2 4.44Å | ||
| 360 | C | 77.2 | Confident | 86.2 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 66% | 0.662 | 55% | 0.547 | S | S | * | . | trans | -100.2 | 132.5 | 171.2 | -65.9 | 0 | 0 | 0 | 0 | 108.4 | I362 | C360-I362 PolarHBondContact O-N 2.78Š| ||
| 361 | N | 62.3 | Low | 85.5 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | trans | -66.3 | 121.8 | 161 | -68.3 | 1.8 | 0 | 0 | 0 | 107.2 | ||||
| 362 | I | 45 | Very low | 84.6 | Confident | 233 Ų | 233 | 99.4 Ų | 99.4 | 100% | 1.195 | 53% | 0.526 | S | S | * | . | trans | -80.7 | 0 | 169.2 | -61.6 | 174.2 | 0 | 0 | 0 | 108.2 | C360 | C360-I362 PolarHBondContact O-N 2.78Š|
Retrieved 362 of 362 residues in 89.1 ms
(Link to these results)