| 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 | 39.7 | Very low | 64.5 | Low | 175 Ų | 175 | 95.3 Ų | 95.3 | 86% | 0.862 | 47% | 0.468 | S | S | * | . | 0 | 105.3 | 0 | -79.3 | 163.8 | 135.8 | 0 | 0 | 107.7 | I3 R42 | M1-I3 PolarHBondContact O-N 3.46Å; M1-R42 VanDerWaalsContact CE-CZ 3.46Å; M1-R42 VanDerWaalsContact CE-NE 3.29Å | |||
| 2 | T | 41.4 | Very low | 65.9 | Low | 138 Ų | 138 | 87.4 Ų | 87.4 | 85% | 0.847 | 43% | 0.429 | S | S | * | . | trans | -79.7 | 110.9 | 173.3 | 30.3 | 0 | 0 | 0 | 0 | 108.5 | S4 | T2-S4 PolarHBondContact O-N 3.33Š| ||
| 3 | I | 56.1 | Low | 67.1 | Low | 42 Ų | 42 | 82.2 Ų | 82.2 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | trans | -75.4 | 114.5 | 176.6 | -59.9 | 179.1 | 0 | 0 | 0 | 107.1 | M1 N7 H8 F11 L283 A286 | M1-I3 PolarHBondContact O-N 3.46Å; I3-N7 HydrophobicContact CG2-CB 3.64Å; I3-H8 PolarHBondContact O-CE1 2.83Å; I3-H8 VanDerWaalsContact O-CE1 3.27Å; I3-F11 HydrophobicContact CG2-CD2 3.86Å; I3-F11 HydrophobicContact CG2-CE2 3.94Å; I3-L283 HydrophobicContact CD1-CD1 3.46Å; I3-L283 VanDerWaalsContact CD1-CD1 3.46Å; I3-A286 HydrophobicContact CD1-CB 4.04Å | ||
| 4 | S | 57.7 | Low | 68.1 | Low | 63 Ų | 63 | 80.4 Ų | 80.4 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | trans | -57.2 | 146.8 | 172.9 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | T2 R6 N7 H8 | T2-S4 PolarHBondContact O-N 3.33Å; S4-R6 PolarHBondContact O-N 3.32Å; S4-R6 VanDerWaalsContact O-N 3.14Å; S4-N7 WeakPolarHBondContact O-CB 3.41Å; S4-N7 PolarHBondContact O-N 3.5Å; S4-H8 PolarHBondContact O-ND1 3.49Å; S4-H8 VanDerWaalsContact O-ND1 3.16Å | ||
| 5 | S | 56.1 | Low | 69 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -50.6 | -41.9 | -179.9 | 60.2 | 0 | 0 | 0 | 0 | 112 | N7 H8 Y301 | S5-N7 PolarHBondContact O-N 2.91Å; S5-N7 VanDerWaalsContact O-N 3.08Å; S5-H8 WeakPolarHBondContact CA-ND1 3.34Å; S5-H8 PolarHBondContact O-N 3.46Å; S5-H8 VanDerWaalsContact O-N 3.13Å; S5-H8 PolarHBondContact O-ND1 3.47Å; S5-Y301 PolarHBondContact O-OH 3.03Å |
| 6 | R | 59.8 | Low | 69.5 | Low | 180 Ų | 180 | 74.1 Ų | 74.1 | 68% | 0.679 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.8 | -21.8 | 177.5 | -69 | -175.2 | 176.7 | -175.2 | -2.1 | 113.9 | S4 | S4-R6 PolarHBondContact O-N 3.32Å; S4-R6 VanDerWaalsContact O-N 3.14Å |
| 7 | N | 74.8 | Confident | 69.9 | Low | 57 Ų | 57 | 70.5 Ų | 70.5 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -88.2 | -22.7 | -178.3 | -63.8 | -22.5 | 0 | 0 | 0 | 113 | I3 S4 S5 R9 K10 F11 | I3-N7 HydrophobicContact CG2-CB 3.64Å; S4-N7 WeakPolarHBondContact O-CB 3.41Å; S4-N7 PolarHBondContact O-N 3.5Å; S5-N7 PolarHBondContact O-N 2.91Å; S5-N7 VanDerWaalsContact O-N 3.08Å; N7-R9 PolarHBondContact O-N 3.29Å; N7-K10 PolarHBondContact O-N 3.48Å; N7-F11 HydrophobicContact CB-CD2 3.77Å; N7-F11 HydrophobicContact CB-CE2 3.66Å; N7-F11 WeakPolarHBondContact O-CD2 3.3Å; N7-F11 PolarHBondContact O-N 3Å |
| 8 | H | 78.4 | Confident | 69.8 | Low | 9 Ų | 9 | 68 Ų | 68 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | -175.9 | -69.3 | 82.6 | 0 | 0 | 0 | 111.8 | I3 S4 S5 K10 F11 I12 I297 Y301 | I3-H8 PolarHBondContact O-CE1 2.83Å; I3-H8 VanDerWaalsContact O-CE1 3.27Å; S4-H8 PolarHBondContact O-ND1 3.49Å; S4-H8 VanDerWaalsContact O-ND1 3.16Å; S5-H8 WeakPolarHBondContact CA-ND1 3.34Å; S5-H8 PolarHBondContact O-N 3.46Å; S5-H8 VanDerWaalsContact O-N 3.13Å; S5-H8 PolarHBondContact O-ND1 3.47Å; H8-K10 PolarHBondContact O-N 3.17Å; H8-F11 PolarHBondContact O-N 3.46Å; H8-I12 WeakPolarHBondContact O-CB 3.3Å; H8-I12 WeakPolarHBondContact O-CD1 3.19Å; H8-I12 WeakPolarHBondContact O-CG1 3.41Å; H8-I12 PolarHBondContact O-N 2.96Å; H8-I297 HydrophobicContact CB-CG2 4.32Å; H8-Y301 HydrophobicContact CB-CD2 3.9Å; H8-Y301 HydrophobicContact CB-CE2 3.85Å |
| 9 | R | 80.9 | Confident | 69.6 | Low | 109 Ų | 109 | 65.7 Ų | 65.7 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 176.9 | -170.8 | 179.3 | 177.3 | -162.5 | -0.2 | 111.8 | N7 I12 I13 I270 Y301 | N7-R9 PolarHBondContact O-N 3.29Å; R9-I12 PolarHBondContact O-N 3.47Å; R9-I13 HydrophobicContact CG-CD1 4.11Å; R9-I13 VanDerWaalsContact O-CG1 3.3Å; R9-I13 WeakPolarHBondContact O-CG1 3.24Å; R9-I13 PolarHBondContact O-N 3.39Å; R9-I270 HydrophobicContact CG-CD1 4.34Å; R9-Y301 HydrophobicContact CB-CD1 3.69Å; R9-Y301 HydrophobicContact CB-CE1 3.75Å; R9-Y301 HydrophobicContact CB-CG 4.35Å; R9-Y301 HydrophobicContact CG-CD1 4.06Å; R9-Y301 HydrophobicContact CG-CE1 4.4Å |
| 10 | K | 81.6 | Confident | 69 | Low | 131 Ų | 131 | 64.4 Ų | 64.4 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.1 | -47.6 | 179 | -69.4 | -176.2 | 177.7 | -177.7 | 0 | 110.8 | N7 H8 I12 I13 V14 | N7-K10 PolarHBondContact O-N 3.48Å; H8-K10 PolarHBondContact O-N 3.17Å; K10-I12 PolarHBondContact O-N 3.49Å; K10-I13 PolarHBondContact O-N 2.92Å; K10-V14 VanDerWaalsContact O-CG2 3.26Å; K10-V14 WeakPolarHBondContact O-CG2 3.38Å; K10-V14 PolarHBondContact O-N 2.85Å |
| 11 | F | 82.8 | Confident | 68 | Low | 88 Ų | 88 | 65.2 Ų | 65.2 | 39% | 0.386 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 178.1 | -78.4 | -63 | 0 | 0 | 0 | 112.6 | I3 N7 H8 V14 L15 L283 | I3-F11 HydrophobicContact CG2-CD2 3.86Å; I3-F11 HydrophobicContact CG2-CE2 3.94Å; N7-F11 HydrophobicContact CB-CD2 3.77Å; N7-F11 HydrophobicContact CB-CE2 3.66Å; N7-F11 WeakPolarHBondContact O-CD2 3.3Å; N7-F11 PolarHBondContact O-N 3Å; H8-F11 PolarHBondContact O-N 3.46Å; F11-V14 PolarHBondContact O-N 2.68Å; F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 VanDerWaalsContact O-CG 3.31Å; F11-L15 WeakPolarHBondContact O-CG 3.36Å; F11-L15 PolarHBondContact O-N 3.25Å; F11-L283 HydrophobicContact CB-CD1 4.31Å; F11-L283 HydrophobicContact CB-CD2 3.68Å |
| 12 | I | 82.2 | Confident | 68.4 | Low | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 177.8 | -66 | 162 | 0 | 0 | 0 | 110.8 | H8 R9 K10 V14 L15 C16 I270 V272 V280 L283 I302 | H8-I12 WeakPolarHBondContact O-CB 3.3Å; H8-I12 WeakPolarHBondContact O-CD1 3.19Å; H8-I12 WeakPolarHBondContact O-CG1 3.41Å; H8-I12 PolarHBondContact O-N 2.96Å; R9-I12 PolarHBondContact O-N 3.47Å; K10-I12 PolarHBondContact O-N 3.49Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 2.87Å; I12-L15 PolarHBondContact O-N 2.86Å; I12-C16 WeakPolarHBondContact O-CB 3.41Å; I12-C16 PolarHBondContact O-N 3.02Å; I12-C16 PolarHBondContact O-SG 2.95Å; I12-C16 VanDerWaalsContact O-SG 3.33Å; I12-I270 HydrophobicContact CB-CD1 4.16Å; I12-I270 HydrophobicContact CG2-CB 4.42Å; I12-I270 HydrophobicContact CG2-CD1 3.73Å; I12-I270 HydrophobicContact CG2-CG2 4.47Å; I12-V272 HydrophobicContact CG2-CG2 4.21Å; I12-V280 HydrophobicContact CD1-CG1 4.45Å; I12-V280 HydrophobicContact CG1-CG1 4.31Å; I12-L283 HydrophobicContact CG1-CD2 3.88Å; I12-I302 HydrophobicContact CD1-CG2 3.82Å; I12-I302 HydrophobicContact CG2-CG2 4.35Å |
| 13 | I | 81 | Confident | 68.8 | Low | 20 Ų | 20 | 57.3 Ų | 57.3 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.3 | -67.2 | 171.3 | 0 | 0 | 0 | 110.4 | R9 K10 L15 C16 T17 I261 I270 | R9-I13 HydrophobicContact CG-CD1 4.11Å; R9-I13 VanDerWaalsContact O-CG1 3.3Å; R9-I13 WeakPolarHBondContact O-CG1 3.24Å; R9-I13 PolarHBondContact O-N 3.39Å; K10-I13 PolarHBondContact O-N 2.92Å; I13-L15 PolarHBondContact O-N 3.34Å; I13-C16 PolarHBondContact O-N 3.41Å; I13-T17 HydrophobicContact CG2-CG2 4.2Å; I13-T17 WeakPolarHBondContact O-CB 3.34Å; I13-T17 WeakPolarHBondContact O-CG2 3.31Å; I13-T17 PolarHBondContact O-N 3.48Å; I13-T17 PolarHBondContact O-OG1 2.95Å; I13-I261 HydrophobicContact CG2-CD1 4.19Å; I13-I270 HydrophobicContact CD1-CD1 4.21Å; I13-I270 HydrophobicContact CG1-CD1 3.44Å; I13-I270 VanDerWaalsContact CG1-CD1 3.44Å; I13-I270 HydrophobicContact CG1-CG1 4.35Å |
| 14 | V | 81.5 | Confident | 68.5 | Low | 57 Ų | 57 | 63.8 Ų | 63.8 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | K10 F11 I12 C16 T17 D18 | K10-V14 VanDerWaalsContact O-CG2 3.26Å; K10-V14 WeakPolarHBondContact O-CG2 3.38Å; K10-V14 PolarHBondContact O-N 2.85Å; F11-V14 PolarHBondContact O-N 2.68Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 2.87Å; V14-C16 PolarHBondContact O-N 3.42Å; V14-T17 VanDerWaalsContact CA-OG1 3.32Å; V14-T17 WeakPolarHBondContact CA-OG1 2.9Å; V14-T17 PolarHBondContact O-N 3.25Å; V14-T17 PolarHBondContact O-OG1 3.01Å; V14-D18 WeakPolarHBondContact CG1-OD2 3.35Å; V14-D18 WeakPolarHBondContact O-CB 3.46Å; V14-D18 PolarHBondContact O-N 3.44Å |
| 15 | L | 81.1 | Confident | 67.8 | Low | 51 Ų | 51 | 66.6 Ų | 66.6 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.3 | -71.6 | 174.1 | 0 | 0 | 0 | 112.3 | F11 I12 I13 T17 D18 A19 V280 L283 | F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 VanDerWaalsContact O-CG 3.31Å; F11-L15 WeakPolarHBondContact O-CG 3.36Å; F11-L15 PolarHBondContact O-N 3.25Å; I12-L15 PolarHBondContact O-N 2.86Å; I13-L15 PolarHBondContact O-N 3.34Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.8Å; L15-D18 PolarHBondContact O-N 3.47Å; L15-A19 PolarHBondContact O-N 2.95Å; L15-V280 HydrophobicContact CD1-CG2 4.41Å; L15-L283 HydrophobicContact CD1-CD2 3.92Å |
| 16 | C | 77.6 | Confident | 67.2 | Low | 9 Ų | 9 | 75 Ų | 75 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 178.6 | -73.2 | 0 | 0 | 0 | 0 | 112.6 | I12 I13 V14 G20 C263 L276 | I12-C16 WeakPolarHBondContact O-CB 3.41Å; I12-C16 PolarHBondContact O-N 3.02Å; I12-C16 PolarHBondContact O-SG 2.95Å; I12-C16 VanDerWaalsContact O-SG 3.33Å; I13-C16 PolarHBondContact O-N 3.41Å; V14-C16 PolarHBondContact O-N 3.42Å; C16-G20 PolarHBondContact O-N 3.04Å; C16-C263 WeakPolarHBondContact CB-SG 3.31Å; C16-L276 VanDerWaalsContact CA-CD1 3.46Å; C16-L276 HydrophobicContact CB-CD1 4.25Å |
| 17 | T | 75 | Confident | 66.8 | Low | 12 Ų | 12 | 73.3 Ų | 73.3 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.7 | -41.1 | 177.9 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | I13 V14 L15 A19 G20 F21 R32 I261 | I13-T17 HydrophobicContact CG2-CG2 4.2Å; I13-T17 WeakPolarHBondContact O-CB 3.34Å; I13-T17 WeakPolarHBondContact O-CG2 3.31Å; I13-T17 PolarHBondContact O-N 3.48Å; I13-T17 PolarHBondContact O-OG1 2.95Å; V14-T17 VanDerWaalsContact CA-OG1 3.32Å; V14-T17 WeakPolarHBondContact CA-OG1 2.9Å; V14-T17 PolarHBondContact O-N 3.25Å; V14-T17 PolarHBondContact O-OG1 3.01Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.8Å; T17-A19 VanDerWaalsContact C-N 3.33Å; T17-A19 PolarHBondContact O-N 3.12Å; T17-G20 PolarHBondContact O-N 3.44Å; T17-F21 WeakPolarHBondContact O-CB 3.24Å; T17-F21 PolarHBondContact O-N 3.12Å; T17-R32 PolarHBondContact OG1-NH2 2.91Å; T17-I261 HydrophobicContact CG2-CB 3.73Å; T17-I261 HydrophobicContact CG2-CG2 3.31Å; T17-I261 WeakPolarHBondContact CG2-O 3.32Å |
| 18 | D | 69.6 | Low | 65.9 | Low | 26 Ų | 26 | 76.5 Ų | 76.5 | 14% | 0.139 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.7 | -72.2 | -21.6 | 0 | 0 | 0 | 110.7 | V14 L15 F21 N22 R32 | V14-D18 WeakPolarHBondContact CG1-OD2 3.35Å; V14-D18 WeakPolarHBondContact O-CB 3.46Å; V14-D18 PolarHBondContact O-N 3.44Å; L15-D18 PolarHBondContact O-N 3.47Å; D18-F21 PolarHBondContact O-N 2.95Å; D18-N22 WeakPolarHBondContact O-CB 3.25Å; D18-N22 PolarHBondContact O-N 3.09Å; D18-N22 PolarHBondContact O-ND2 2.89Å; D18-R32 IonicContact OD1-CZ 3.04Å; D18-R32 IonicContact OD1-NE 2.64Å; D18-R32 PolarHBondContact OD1-NE 3.37Å; D18-R32 IonicContact OD1-NH2 2.7Å; D18-R32 PolarHBondContact OD1-NH2 2.84Å |
| 19 | A | 65.9 | Low | 65.4 | Low | 24 Ų | 24 | 81.6 Ų | 81.6 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L15 T17 F21 N22 A23 L276 | L15-A19 PolarHBondContact O-N 2.95Å; T17-A19 VanDerWaalsContact C-N 3.33Å; T17-A19 PolarHBondContact O-N 3.12Å; A19-F21 PolarHBondContact O-N 3.05Å; A19-N22 PolarHBondContact O-N 3.4Å; A19-A23 VanDerWaalsContact O-CB 3.24Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.49Å; A19-L276 HydrophobicContact CB-CD1 3.33Å; A19-L276 HydrophobicContact CB-CD2 3.36Å; A19-L276 HydrophobicContact CB-CG 3.49Å; A19-L276 VanDerWaalsContact CB-CG 3.49Å |
| 20 | G | 57.2 | Low | 65.4 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 40% | 0.402 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C16 T17 | C16-G20 PolarHBondContact O-N 3.04Å; T17-G20 PolarHBondContact O-N 3.44Å |
| 21 | F | 46.8 | Very low | 65.4 | Low | 83 Ų | 83 | 77.6 Ų | 77.6 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -74.9 | -46.3 | 173.7 | -164.2 | -95.6 | 0 | 0 | 0 | 112.1 | T17 D18 A19 A23 R24 K25 H29 | T17-F21 WeakPolarHBondContact O-CB 3.24Å; T17-F21 PolarHBondContact O-N 3.12Å; D18-F21 PolarHBondContact O-N 2.95Å; A19-F21 PolarHBondContact O-N 3.05Å; F21-A23 VanDerWaalsContact C-N 3.3Å; F21-A23 PolarHBondContact O-N 3.49Å; F21-R24 PolarHBondContact O-N 2.81Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-K25 PolarHBondContact O-N 3.16Å; F21-H29 HydrophobicContact CE1-CB 4.01Å; F21-H29 HydrophobicContact CZ-CB 4.05Å |
| 22 | N | 48.5 | Very low | 65.2 | Low | 59 Ų | 59 | 77.3 Ų | 77.3 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.9 | -29.1 | -178.6 | -73.3 | -26.2 | 0 | 0 | 0 | 112.9 | D18 A19 | D18-N22 WeakPolarHBondContact O-CB 3.25Å; D18-N22 PolarHBondContact O-N 3.09Å; D18-N22 PolarHBondContact O-ND2 2.89Å; A19-N22 PolarHBondContact O-N 3.4Å |
| 23 | A | 51.2 | Low | 65.4 | Low | 88 Ų | 88 | 79.5 Ų | 79.5 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.7 | -29 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A19 F21 | A19-A23 VanDerWaalsContact O-CB 3.24Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.49Å; F21-A23 VanDerWaalsContact C-N 3.3Å; F21-A23 PolarHBondContact O-N 3.49Å |
| 24 | R | 49 | Very low | 65.8 | Low | 178 Ų | 178 | 81.9 Ų | 81.9 | 67% | 0.672 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -97.8 | -23.1 | -180 | -68 | -175.5 | -166.8 | -156.6 | -3.6 | 113.6 | F21 E228 | F21-R24 PolarHBondContact O-N 2.81Å; F21-R24 VanDerWaalsContact O-N 3.15Å; R24-E228 IonicContact NH2-OE1 3.33Å; R24-E228 PolarHBondContact NH2-OE1 3.45Å; R24-E228 IonicContact NH2-OE2 3.54Å |
| 25 | K | 42.2 | Very low | 66.1 | Low | 121 Ų | 121 | 82.9 Ų | 82.9 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | trans | -147.2 | 109 | 174.6 | -70.2 | -174.2 | 178.9 | 179.6 | 0 | 109.6 | F21 Q27 | F21-K25 PolarHBondContact O-N 3.16Å; K25-Q27 HydrophobicContact CB-CB 4.46Å; K25-Q27 PolarHBondContact O-N 3.39Å | ||
| 26 | R | 43.5 | Very low | 66.4 | Low | 234 Ų | 234 | 85.6 Ų | 85.6 | 88% | 0.883 | 41% | 0.414 | S | S | * | . | trans | -66 | 17.9 | 161.5 | -90.1 | -174.4 | 179.3 | 178.5 | 0.2 | 113.4 | ||||
| 27 | Q | 52.3 | Low | 66.9 | Low | 144 Ų | 144 | 87.1 Ų | 87.1 | 67% | 0.673 | 42% | 0.421 | S | S | * | . | trans | -95.2 | 93.8 | 167.5 | -81.6 | 157.5 | -20.3 | 0 | 0 | 106.7 | K25 H29 | K25-Q27 HydrophobicContact CB-CB 4.46Å; K25-Q27 PolarHBondContact O-N 3.39Å; Q27-H29 PolarHBondContact O-N 2.95Å | ||
| 28 | F | 54.8 | Low | 67.7 | Low | 124 Ų | 124 | 87.1 Ų | 87.1 | 54% | 0.544 | 42% | 0.421 | S | S | . | . | trans | -52.9 | 110.8 | 166.3 | -66.9 | -82.5 | 0 | 0 | 0 | 107.8 | H30 L33 | F28-H30 PolarHBondContact O-N 2.89Å; F28-H30 VanDerWaalsContact O-N 3.08Å; F28-L33 HydrophobicContact CB-CD1 3.73Å; F28-L33 HydrophobicContact CB-CG 4.23Å; F28-L33 HydrophobicContact CD1-CD2 4.35Å; F28-L33 HydrophobicContact CG-CD1 4.39Å | ||
| 29 | H | 69 | Low | 68.6 | Low | 115 Ų | 115 | 94.1 Ų | 94.1 | 53% | 0.532 | 45% | 0.447 | S | S | . | . | trans | -70 | 113.2 | -179.6 | -161.2 | -92.1 | 0 | 0 | 0 | 107.3 | F21 Q27 S31 R32 L33 | F21-H29 HydrophobicContact CE1-CB 4.01Å; F21-H29 HydrophobicContact CZ-CB 4.05Å; Q27-H29 PolarHBondContact O-N 2.95Å; H29-S31 PolarHBondContact CE1-OG 3.5Å; H29-S31 WeakPolarHBondContact ND1-CB 3.29Å; H29-S31 PolarHBondContact ND1-OG 3.3Å; H29-S31 PolarHBondContact O-N 2.8Å; H29-R32 PolarHBondContact O-N 2.89Å; H29-L33 PolarHBondContact O-N 2.93Å | ||
| 30 | H | 80.2 | Confident | 69.6 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 51% | 0.505 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -51.5 | -28.4 | -175.5 | -77.7 | -71.2 | 0 | 0 | 0 | 112.9 | F28 R32 R34 F58 | F28-H30 PolarHBondContact O-N 2.89Å; F28-H30 VanDerWaalsContact O-N 3.08Å; H30-R32 VanDerWaalsContact C-N 3.34Å; H30-R32 PolarHBondContact O-N 3.39Å; H30-R34 VanDerWaalsContact O-CB 3.28Å; H30-R34 WeakPolarHBondContact O-CB 3.38Å; H30-R34 PolarHBondContact O-N 3.2Å; H30-F58 HydrophobicContact CB-CB 4.04Å; H30-F58 AromaticContact ND1-CD1 3.76Å; H30-F58 WeakPolarHBondContact O-CB 3.27Å |
| 31 | S | 81.4 | Confident | 71.2 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.6 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | H29 R34 D35 | H29-S31 PolarHBondContact CE1-OG 3.5Å; H29-S31 WeakPolarHBondContact ND1-CB 3.29Å; H29-S31 PolarHBondContact ND1-OG 3.3Å; H29-S31 PolarHBondContact O-N 2.8Å; S31-R34 WeakPolarHBondContact O-CB 3.41Å; S31-R34 PolarHBondContact O-N 2.92Å; S31-D35 PolarHBondContact O-N 3.45Å |
| 32 | R | 79.4 | Confident | 73.2 | Confident | 82 Ų | 82 | 101.2 Ų | 101.2 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -77.7 | -39.9 | -177.2 | -171 | 168.1 | 176.3 | 122.2 | -1.2 | 111.4 | T17 D18 H29 H30 R34 D35 Q36 | T17-R32 PolarHBondContact OG1-NH2 2.91Å; D18-R32 IonicContact OD1-CZ 3.04Å; D18-R32 IonicContact OD1-NE 2.64Å; D18-R32 PolarHBondContact OD1-NE 3.37Å; D18-R32 IonicContact OD1-NH2 2.7Å; D18-R32 PolarHBondContact OD1-NH2 2.84Å; H29-R32 PolarHBondContact O-N 2.89Å; H30-R32 VanDerWaalsContact C-N 3.34Å; H30-R32 PolarHBondContact O-N 3.39Å; R32-R34 PolarHBondContact O-N 3.2Å; R32-D35 PolarHBondContact O-N 3.4Å; R32-Q36 WeakPolarHBondContact O-CB 3.5Å; R32-Q36 PolarHBondContact O-N 3.29Å |
| 33 | L | 86.1 | Confident | 75.2 | Confident | 47 Ų | 47 | 100.9 Ų | 100.9 | 25% | 0.246 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 170.4 | -69 | -179.4 | 0 | 0 | 0 | 111.1 | F28 H29 L37 F58 | F28-L33 HydrophobicContact CB-CD1 3.73Å; F28-L33 HydrophobicContact CB-CG 4.23Å; F28-L33 HydrophobicContact CD1-CD2 4.35Å; F28-L33 HydrophobicContact CG-CD1 4.39Å; H29-L33 PolarHBondContact O-N 2.93Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 3.05Å; L33-F58 HydrophobicContact CB-CD2 3.49Å; L33-F58 VanDerWaalsContact CB-CD2 3.49Å; L33-F58 HydrophobicContact CB-CE2 3.64Å; L33-F58 HydrophobicContact CB-CG 4.01Å; L33-F58 HydrophobicContact CB-CZ 4.27Å; L33-F58 HydrophobicContact CD1-CE1 4.37Å; L33-F58 HydrophobicContact CD1-CZ 4.36Å |
| 34 | R | 90 | Very high | 77.1 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 26% | 0.264 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -49.8 | 173.1 | 175.7 | -156.9 | 69.2 | 165.3 | 1.1 | 111.3 | H30 S31 R32 Q36 L37 V38 L56 F58 A61 | H30-R34 VanDerWaalsContact O-CB 3.28Å; H30-R34 WeakPolarHBondContact O-CB 3.38Å; H30-R34 PolarHBondContact O-N 3.2Å; S31-R34 WeakPolarHBondContact O-CB 3.41Å; S31-R34 PolarHBondContact O-N 2.92Å; R32-R34 PolarHBondContact O-N 3.2Å; R34-Q36 VanDerWaalsContact C-N 3.35Å; R34-Q36 PolarHBondContact O-N 3.23Å; R34-L37 WeakPolarHBondContact O-CB 3.49Å; R34-L37 PolarHBondContact O-N 3.47Å; R34-V38 VanDerWaalsContact O-CG2 3.3Å; R34-V38 WeakPolarHBondContact O-CG2 3.35Å; R34-V38 PolarHBondContact O-N 2.96Å; R34-L56 WeakPolarHBondContact CD-O 3.49Å; R34-L56 HydrophobicContact CG-CD2 3.92Å; R34-L56 HydrophobicContact CG-CG 4.11Å; R34-L56 PolarHBondContact NH1-O 2.88Å; R34-F58 HydrophobicContact CB-CB 4.21Å; R34-A61 HydrophobicContact CG-CB 4.47Å |
| 35 | D | 87.9 | Confident | 79.2 | Confident | 79 Ų | 79 | 98 Ų | 98 | 42% | 0.422 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | -177.2 | -62.8 | -11.1 | 0 | 0 | 0 | 111.7 | S31 R32 V38 Y39 | S31-D35 PolarHBondContact O-N 3.45Å; R32-D35 PolarHBondContact O-N 3.4Å; D35-V38 PolarHBondContact O-N 3.42Å; D35-Y39 WeakPolarHBondContact O-CB 3.47Å; D35-Y39 PolarHBondContact O-N 3.4Å |
| 36 | Q | 86.1 | Confident | 81.5 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 175 | -174.3 | 174.7 | -2 | 0 | 0 | 112.1 | R32 R34 G40 | R32-Q36 WeakPolarHBondContact O-CB 3.5Å; R32-Q36 PolarHBondContact O-N 3.29Å; R34-Q36 VanDerWaalsContact C-N 3.35Å; R34-Q36 PolarHBondContact O-N 3.23Å; Q36-G40 WeakPolarHBondContact O-CA 3.28Å; Q36-G40 PolarHBondContact O-N 3.02Å |
| 37 | L | 90.1 | Very high | 83.9 | Confident | 40 Ų | 40 | 84 Ų | 84 | 21% | 0.209 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.9 | -53.7 | 172.7 | -179.6 | 68.2 | 0 | 0 | 0 | 110.1 | L33 R34 Y39 G40 L41 F58 A61 L62 | L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 3.05Å; R34-L37 WeakPolarHBondContact O-CB 3.49Å; R34-L37 PolarHBondContact O-N 3.47Å; L37-Y39 PolarHBondContact O-N 3.08Å; L37-G40 PolarHBondContact O-N 2.97Å; L37-L41 WeakPolarHBondContact O-CG 3.48Å; L37-L41 PolarHBondContact O-N 3.42Å; L37-L41 VanDerWaalsContact O-N 3.12Å; L37-F58 HydrophobicContact CD2-CE2 4.33Å; L37-A61 HydrophobicContact CD2-CB 3.81Å; L37-L62 HydrophobicContact CD2-CB 4.35Å |
| 38 | V | 90.9 | Very high | 85.9 | Confident | 13 Ų | 13 | 84.5 Ų | 84.5 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | -177.8 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | R34 D35 Q47 L50 L51 L56 | R34-V38 VanDerWaalsContact O-CG2 3.3Å; R34-V38 WeakPolarHBondContact O-CG2 3.35Å; R34-V38 PolarHBondContact O-N 2.96Å; D35-V38 PolarHBondContact O-N 3.42Å; V38-Q47 HydrophobicContact CG1-CG 4.17Å; V38-Q47 PolarHBondContact O-NE2 3.23Å; V38-L50 HydrophobicContact CG2-CB 4.29Å; V38-L50 HydrophobicContact CG2-CD1 4.28Å; V38-L51 HydrophobicContact CG1-CD2 3.82Å; V38-L51 HydrophobicContact CG1-CG 3.98Å; V38-L56 HydrophobicContact CG2-CD2 3.68Å |
| 39 | Y | 88.9 | Confident | 87.7 | Confident | 172 Ų | 172 | 83.1 Ų | 83.1 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.8 | -30.2 | 178.7 | -171.5 | -95 | 0 | 0 | 0 | 112.8 | D35 L37 | D35-Y39 WeakPolarHBondContact O-CB 3.47Å; D35-Y39 PolarHBondContact O-N 3.4Å; L37-Y39 PolarHBondContact O-N 3.08Å |
| 40 | G | 87.3 | Confident | 88.8 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -81.7 | -13.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q36 L37 | Q36-G40 WeakPolarHBondContact O-CA 3.28Å; Q36-G40 PolarHBondContact O-N 3.02Å; L37-G40 PolarHBondContact O-N 2.97Å |
| 41 | L | 89.9 | Confident | 89.4 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | trans | -66.9 | 130.6 | 177.9 | -75.4 | 169 | 0 | 0 | 0 | 111.4 | L37 L46 L50 | L37-L41 WeakPolarHBondContact O-CG 3.48Å; L37-L41 PolarHBondContact O-N 3.42Å; L37-L41 VanDerWaalsContact O-N 3.12Å; L41-L46 HydrophobicContact CD1-CD2 3.94Å; L41-L46 HydrophobicContact CD1-CG 4.08Å; L41-L46 HydrophobicContact CD2-CD2 4.08Å; L41-L50 HydrophobicContact CD1-CD1 3.24Å | ||
| 42 | R | 88.8 | Confident | 89.9 | Confident | 203 Ų | 203 | 86.7 Ų | 86.7 | 77% | 0.766 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -79.4 | -28.1 | 177.5 | -57.1 | -178.6 | -159.4 | 173.3 | 5.7 | 112.6 | M1 Q44 | M1-R42 VanDerWaalsContact CE-CZ 3.46Å; M1-R42 VanDerWaalsContact CE-NE 3.29Å; R42-Q44 PolarHBondContact O-N 3.44Å |
| 43 | D | 90.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 86 Ų | 86 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | trans | -78.8 | 108.2 | 179.5 | -177.3 | 0.3 | 0 | 0 | 0 | 110.4 | T45 L46 Q47 | D43-T45 VanDerWaalsContact CG-OG1 3.28Å; D43-T45 PolarHBondContact O-N 3.37Å; D43-T45 WeakPolarHBondContact OD1-CB 3.3Å; D43-T45 PolarHBondContact OD1-N 2.73Å; D43-T45 PolarHBondContact OD1-OG1 2.96Å; D43-T45 PolarHBondContact OD2-OG1 2.93Å; D43-L46 HydrophobicContact CB-CB 4.1Å; D43-Q47 WeakPolarHBondContact O-CB 3.47Å; D43-Q47 PolarHBondContact O-N 2.91Å | ||
| 44 | Q | 91.3 | Very high | 90.4 | Very high | 116 Ų | 116 | 89.6 Ų | 89.6 | 54% | 0.542 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.4 | -26.7 | 179.8 | -64.9 | -177.4 | 7.8 | 0 | 0 | 112.8 | R42 R48 | R42-Q44 PolarHBondContact O-N 3.44Å; Q44-R48 VanDerWaalsContact O-CG 3.29Å; Q44-R48 WeakPolarHBondContact O-CG 3.46Å; Q44-R48 PolarHBondContact O-N 3.24Å; Q44-R48 VanDerWaalsContact OE1-NH2 3.11Å |
| 45 | T | 92.2 | Very high | 90.4 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 55% | 0.546 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.7 | -48.8 | 179.7 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | D43 Q47 R48 Q49 | D43-T45 VanDerWaalsContact CG-OG1 3.28Å; D43-T45 PolarHBondContact O-N 3.37Å; D43-T45 WeakPolarHBondContact OD1-CB 3.3Å; D43-T45 PolarHBondContact OD1-N 2.73Å; D43-T45 PolarHBondContact OD1-OG1 2.96Å; D43-T45 PolarHBondContact OD2-OG1 2.93Å; T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.96Å; T45-R48 PolarHBondContact O-N 2.64Å; T45-Q49 PolarHBondContact O-N 3.29Å |
| 46 | L | 92.4 | Very high | 90.5 | Very high | 9 Ų | 9 | 88.9 Ų | 88.9 | 5% | 0.047 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 172.8 | -179.2 | 60.4 | 0 | 0 | 0 | 112 | L41 D43 R48 Q49 L50 L64 A65 T68 | L41-L46 HydrophobicContact CD1-CD2 3.94Å; L41-L46 HydrophobicContact CD1-CG 4.08Å; L41-L46 HydrophobicContact CD2-CD2 4.08Å; D43-L46 HydrophobicContact CB-CB 4.1Å; L46-R48 PolarHBondContact O-N 3.27Å; L46-Q49 PolarHBondContact O-N 3.47Å; L46-L50 HydrophobicContact CD1-CD1 4.36Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.12Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.44Å; L46-L64 HydrophobicContact CD1-CD2 3.9Å; L46-L64 HydrophobicContact CD1-CG 4.35Å; L46-A65 HydrophobicContact CD2-CB 4.01Å; L46-T68 HydrophobicContact CD1-CG2 4.09Å; L46-T68 WeakPolarHBondContact CD1-OG1 3.32Å; L46-T68 HydrophobicContact CD2-CG2 4.43Å |
| 47 | Q | 93.2 | Very high | 90.8 | Very high | 51 Ų | 51 | 87.1 Ų | 87.1 | 24% | 0.238 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.5 | -172.9 | 177.7 | 53.2 | 0 | 0 | 111.9 | V38 D43 T45 Q49 L50 L51 | V38-Q47 HydrophobicContact CG1-CG 4.17Å; V38-Q47 PolarHBondContact O-NE2 3.23Å; D43-Q47 WeakPolarHBondContact O-CB 3.47Å; D43-Q47 PolarHBondContact O-N 2.91Å; T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.96Å; Q47-Q49 VanDerWaalsContact C-N 3.33Å; Q47-Q49 PolarHBondContact O-N 3.05Å; Q47-L50 PolarHBondContact O-N 3Å; Q47-L51 HydrophobicContact CG-CD1 4.26Å; Q47-L51 VanDerWaalsContact O-CG 3.32Å; Q47-L51 WeakPolarHBondContact O-CG 3.48Å; Q47-L51 PolarHBondContact O-N 3.49Å |
| 48 | R | 93 | Very high | 90.9 | Very high | 155 Ų | 155 | 87.1 Ų | 87.1 | 59% | 0.585 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63 | -38.9 | 174.8 | -71.6 | 177 | -162.7 | 121.6 | 7.8 | 111.9 | Q44 T45 L46 L51 R52 | Q44-R48 VanDerWaalsContact O-CG 3.29Å; Q44-R48 WeakPolarHBondContact O-CG 3.46Å; Q44-R48 PolarHBondContact O-N 3.24Å; Q44-R48 VanDerWaalsContact OE1-NH2 3.11Å; T45-R48 PolarHBondContact O-N 2.64Å; L46-R48 PolarHBondContact O-N 3.27Å; R48-L51 PolarHBondContact O-N 2.9Å; R48-R52 WeakPolarHBondContact O-CB 3.39Å; R48-R52 PolarHBondContact O-N 3.37Å |
| 49 | Q | 92.6 | Very high | 91 | Very high | 96 Ų | 96 | 90.8 Ų | 90.8 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 177.8 | -175.5 | 178.2 | -15.4 | 0 | 0 | 111.8 | T45 L46 Q47 R52 L64 | T45-Q49 PolarHBondContact O-N 3.29Å; L46-Q49 PolarHBondContact O-N 3.47Å; Q47-Q49 VanDerWaalsContact C-N 3.33Å; Q47-Q49 PolarHBondContact O-N 3.05Å; Q49-R52 WeakPolarHBondContact O-CB 3.39Å; Q49-R52 PolarHBondContact O-N 3.05Å; Q49-L64 HydrophobicContact CG-CD2 4.18Å |
| 50 | L | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -74.7 | 167.4 | 0 | 0 | 0 | 111.8 | V38 L41 L46 Q47 R52 V53 L56 A61 L64 | V38-L50 HydrophobicContact CG2-CB 4.29Å; V38-L50 HydrophobicContact CG2-CD1 4.28Å; L41-L50 HydrophobicContact CD1-CD1 3.24Å; L46-L50 HydrophobicContact CD1-CD1 4.36Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.12Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.44Å; Q47-L50 PolarHBondContact O-N 3Å; L50-R52 PolarHBondContact O-N 2.93Å; L50-V53 PolarHBondContact O-N 2.93Å; L50-L56 HydrophobicContact CB-CD2 4.07Å; L50-L56 HydrophobicContact CD2-CD1 3.74Å; L50-L56 HydrophobicContact CD2-CD2 4.15Å; L50-A61 HydrophobicContact CD2-CB 3.9Å; L50-L64 HydrophobicContact CD2-CB 4.1Å; L50-L64 HydrophobicContact CD2-CD2 3.42Å; L50-L64 VanDerWaalsContact CD2-CD2 3.42Å; L50-L64 HydrophobicContact CD2-CG 4.38Å; L50-L64 HydrophobicContact CG-CD2 3.85Å |
| 51 | L | 91.7 | Very high | 91.5 | Very high | 122 Ų | 122 | 82.4 Ų | 82.4 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.3 | -18.3 | 177.4 | -69.9 | 173.3 | 0 | 0 | 0 | 113.7 | V38 Q47 R48 V53 | V38-L51 HydrophobicContact CG1-CD2 3.82Å; V38-L51 HydrophobicContact CG1-CG 3.98Å; Q47-L51 HydrophobicContact CG-CD1 4.26Å; Q47-L51 VanDerWaalsContact O-CG 3.32Å; Q47-L51 WeakPolarHBondContact O-CG 3.48Å; Q47-L51 PolarHBondContact O-N 3.49Å; R48-L51 PolarHBondContact O-N 2.9Å; L51-V53 VanDerWaalsContact C-N 3.35Å |
| 52 | R | 92.8 | Very high | 91.7 | Very high | 224 Ų | 224 | 83.7 Ų | 83.7 | 85% | 0.845 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -75.3 | -24.1 | 174.8 | -174.9 | 177.5 | 174 | 179.4 | -1 | 112.5 | R48 Q49 L50 S54 | R48-R52 WeakPolarHBondContact O-CB 3.39Å; R48-R52 PolarHBondContact O-N 3.37Å; Q49-R52 WeakPolarHBondContact O-CB 3.39Å; Q49-R52 PolarHBondContact O-N 3.05Å; L50-R52 PolarHBondContact O-N 2.93Å; R52-S54 PolarHBondContact O-N 2.93Å |
| 53 | V | 91.2 | Very high | 91.9 | Very high | 68 Ų | 68 | 78.9 Ų | 78.9 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | trans | -75 | 124.2 | -179 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | L50 L51 V55 L56 | L50-V53 PolarHBondContact O-N 2.93Å; L51-V53 VanDerWaalsContact C-N 3.35Å; V53-V55 PolarHBondContact O-N 3.41Å; V53-L56 HydrophobicContact CB-CD1 4.31Å; V53-L56 HydrophobicContact CG1-CD1 4.43Å | ||
| 54 | S | 85.5 | Confident | 92 | Very high | 122 Ų | 122 | 78.5 Ų | 78.5 | 85% | 0.853 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -64.8 | -40.3 | -175.6 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | R52 | R52-S54 PolarHBondContact O-N 2.93Š|
| 55 | V | 89.2 | Confident | 92.1 | Very high | 114 Ų | 114 | 73.6 Ų | 73.6 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -121.3 | 87.3 | 177.6 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | V53 | V53-V55 PolarHBondContact O-N 3.41Š|
| 56 | L | 89.5 | Confident | 92.2 | Very high | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | trans | -91.9 | 120.1 | 177.1 | -168.9 | 71.4 | 0 | 0 | 0 | 110.2 | R34 V38 L50 V53 A61 | R34-L56 WeakPolarHBondContact CD-O 3.49Å; R34-L56 HydrophobicContact CG-CD2 3.92Å; R34-L56 HydrophobicContact CG-CG 4.11Å; R34-L56 PolarHBondContact NH1-O 2.88Å; V38-L56 HydrophobicContact CG2-CD2 3.68Å; L50-L56 HydrophobicContact CB-CD2 4.07Å; L50-L56 HydrophobicContact CD2-CD1 3.74Å; L50-L56 HydrophobicContact CD2-CD2 4.15Å; V53-L56 HydrophobicContact CB-CD1 4.31Å; V53-L56 HydrophobicContact CG1-CD1 4.43Å; L56-A61 HydrophobicContact CD1-CB 3.84Å; L56-A61 HydrophobicContact CD2-CB 3.99Å; L56-A61 HydrophobicContact CG-CB 3.91Å | ||
| 57 | T | 92.8 | Very high | 92.3 | Very high | 71 Ų | 71 | 75.9 Ų | 75.9 | 44% | 0.436 | 40% | 0.399 | S | S | . | . | trans | -99.4 | 162.9 | 169.6 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | N59 S60 A61 | T57-N59 PolarHBondContact O-N 3.12Å; T57-S60 PolarHBondContact N-OG 2.82Å; T57-S60 PolarHBondContact O-N 3.4Å; T57-S60 PolarHBondContact O-OG 3.32Å; T57-S60 VanDerWaalsContact O-OG 3.12Å; T57-S60 WeakPolarHBondContact OG1-CB 3.29Å; T57-S60 PolarHBondContact OG1-N 2.9Å; T57-S60 VanDerWaalsContact OG1-N 3.17Å; T57-S60 PolarHBondContact OG1-OG 3.22Å; T57-A61 VanDerWaalsContact O-CB 3.31Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 3.42Å | ||
| 58 | F | 92.4 | Very high | 92.3 | Very high | 41 Ų | 41 | 74.5 Ų | 74.5 | 18% | 0.18 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 176.6 | 176.3 | -108.4 | 0 | 0 | 0 | 112.5 | H30 L33 R34 L37 S60 A61 L62 | H30-F58 HydrophobicContact CB-CB 4.04Å; H30-F58 AromaticContact ND1-CD1 3.76Å; H30-F58 WeakPolarHBondContact O-CB 3.27Å; L33-F58 HydrophobicContact CB-CD2 3.49Å; L33-F58 VanDerWaalsContact CB-CD2 3.49Å; L33-F58 HydrophobicContact CB-CE2 3.64Å; L33-F58 HydrophobicContact CB-CG 4.01Å; L33-F58 HydrophobicContact CB-CZ 4.27Å; L33-F58 HydrophobicContact CD1-CE1 4.37Å; L33-F58 HydrophobicContact CD1-CZ 4.36Å; R34-F58 HydrophobicContact CB-CB 4.21Å; L37-F58 HydrophobicContact CD2-CE2 4.33Å; F58-S60 PolarHBondContact O-N 2.9Å; F58-A61 PolarHBondContact O-N 2.87Å; F58-L62 HydrophobicContact CE1-CD2 4.13Å; F58-L62 HydrophobicContact CZ-CD2 4.24Å; F58-L62 VanDerWaalsContact O-CB 3.3Å; F58-L62 WeakPolarHBondContact O-CB 3.35Å; F58-L62 PolarHBondContact O-N 3.42Å |
| 59 | N | 92.2 | Very high | 92.3 | Very high | 90 Ų | 90 | 73.9 Ų | 73.9 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | -178.7 | -66.8 | -30.9 | 0 | 0 | 0 | 111.6 | T57 L62 N63 | T57-N59 PolarHBondContact O-N 3.12Å; N59-L62 PolarHBondContact O-N 3.18Å; N59-N63 VanDerWaalsContact O-CB 3.3Å; N59-N63 WeakPolarHBondContact O-CB 3.46Å; N59-N63 PolarHBondContact O-N 3.06Å; N59-N63 PolarHBondContact O-ND2 3.43Å |
| 60 | S | 92.8 | Very high | 92.3 | Very high | 50 Ų | 50 | 72.6 Ų | 72.6 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.8 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | T57 F58 L64 | T57-S60 PolarHBondContact N-OG 2.82Å; T57-S60 PolarHBondContact O-N 3.4Å; T57-S60 PolarHBondContact O-OG 3.32Å; T57-S60 VanDerWaalsContact O-OG 3.12Å; T57-S60 WeakPolarHBondContact OG1-CB 3.29Å; T57-S60 PolarHBondContact OG1-N 2.9Å; T57-S60 VanDerWaalsContact OG1-N 3.17Å; T57-S60 PolarHBondContact OG1-OG 3.22Å; F58-S60 PolarHBondContact O-N 2.9Å; S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.27Å |
| 61 | A | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R34 L37 L50 L56 T57 F58 L64 A65 | R34-A61 HydrophobicContact CG-CB 4.47Å; L37-A61 HydrophobicContact CD2-CB 3.81Å; L50-A61 HydrophobicContact CD2-CB 3.9Å; L56-A61 HydrophobicContact CD1-CB 3.84Å; L56-A61 HydrophobicContact CD2-CB 3.99Å; L56-A61 HydrophobicContact CG-CB 3.91Å; T57-A61 VanDerWaalsContact O-CB 3.31Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 3.42Å; F58-A61 PolarHBondContact O-N 2.87Å; A61-L64 PolarHBondContact O-N 2.84Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 2.74Å |
| 62 | L | 93.9 | Very high | 92.3 | Very high | 64 Ų | 64 | 73.8 Ų | 73.8 | 34% | 0.335 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 178.1 | -178.5 | 63.6 | 0 | 0 | 0 | 111.1 | L37 F58 N59 L64 A65 V66 | L37-L62 HydrophobicContact CD2-CB 4.35Å; F58-L62 HydrophobicContact CE1-CD2 4.13Å; F58-L62 HydrophobicContact CZ-CD2 4.24Å; F58-L62 VanDerWaalsContact O-CB 3.3Å; F58-L62 WeakPolarHBondContact O-CB 3.35Å; F58-L62 PolarHBondContact O-N 3.42Å; N59-L62 PolarHBondContact O-N 3.18Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.35Å; L62-A65 PolarHBondContact O-N 2.88Å; L62-V66 HydrophobicContact CD1-CG2 4.36Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; L62-V66 PolarHBondContact O-N 3.41Å |
| 63 | N | 93.9 | Very high | 92.1 | Very high | 103 Ų | 103 | 66 Ų | 66 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.1 | -44.6 | 177.1 | -72.8 | -17.6 | 0 | 0 | 0 | 111.1 | N59 A65 V66 T67 | N59-N63 VanDerWaalsContact O-CB 3.3Å; N59-N63 WeakPolarHBondContact O-CB 3.46Å; N59-N63 PolarHBondContact O-N 3.06Å; N59-N63 PolarHBondContact O-ND2 3.43Å; N63-A65 PolarHBondContact O-N 3.15Å; N63-V66 PolarHBondContact O-N 2.97Å; N63-T67 WeakPolarHBondContact O-CB 3.36Å; N63-T67 WeakPolarHBondContact O-CG2 3.46Å; N63-T67 PolarHBondContact O-N 2.64Å; N63-T67 PolarHBondContact O-OG1 3Å |
| 64 | L | 93 | Very high | 92.2 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.4 | -164.3 | 86.8 | 0 | 0 | 0 | 110.8 | L46 Q49 L50 S60 A61 L62 V66 T67 T68 | L46-L64 HydrophobicContact CD1-CD2 3.9Å; L46-L64 HydrophobicContact CD1-CG 4.35Å; Q49-L64 HydrophobicContact CG-CD2 4.18Å; L50-L64 HydrophobicContact CD2-CB 4.1Å; L50-L64 HydrophobicContact CD2-CD2 3.42Å; L50-L64 VanDerWaalsContact CD2-CD2 3.42Å; L50-L64 HydrophobicContact CD2-CG 4.38Å; L50-L64 HydrophobicContact CG-CD2 3.85Å; S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.27Å; A61-L64 PolarHBondContact O-N 2.84Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.35Å; L64-V66 PolarHBondContact O-N 2.7Å; L64-T67 WeakPolarHBondContact CA-OG1 3.24Å; L64-T67 PolarHBondContact O-N 2.75Å; L64-T67 PolarHBondContact O-OG1 3.42Å; L64-T68 WeakPolarHBondContact O-CB 3.43Å; L64-T68 PolarHBondContact O-N 2.95Å; L64-T68 PolarHBondContact O-OG1 3.34Å |
| 65 | A | 93.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 65.8 Ų | 65.8 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L46 A61 L62 N63 T68 E69 | L46-A65 HydrophobicContact CD2-CB 4.01Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 2.74Å; L62-A65 PolarHBondContact O-N 2.88Å; N63-A65 PolarHBondContact O-N 3.15Å; A65-T68 PolarHBondContact O-N 3.46Å; A65-E69 WeakPolarHBondContact O-CB 3.21Å; A65-E69 PolarHBondContact O-N 3.05Å |
| 66 | V | 94.5 | Very high | 92.4 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111 | L62 N63 L64 T68 E69 V70 | L62-V66 HydrophobicContact CD1-CG2 4.36Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; L62-V66 PolarHBondContact O-N 3.41Å; N63-V66 PolarHBondContact O-N 2.97Å; L64-V66 PolarHBondContact O-N 2.7Å; V66-T68 PolarHBondContact O-N 3.01Å; V66-E69 PolarHBondContact O-N 2.75Å; V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 VanDerWaalsContact O-CG2 3.31Å; V66-V70 WeakPolarHBondContact O-CG2 3.39Å; V66-V70 PolarHBondContact O-N 2.84Å |
| 67 | T | 94.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 69.9 Ų | 69.9 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 178.1 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | N63 L64 S71 | N63-T67 WeakPolarHBondContact O-CB 3.36Å; N63-T67 WeakPolarHBondContact O-CG2 3.46Å; N63-T67 PolarHBondContact O-N 2.64Å; N63-T67 PolarHBondContact O-OG1 3Å; L64-T67 WeakPolarHBondContact CA-OG1 3.24Å; L64-T67 PolarHBondContact O-N 2.75Å; L64-T67 PolarHBondContact O-OG1 3.42Å; T67-S71 VanDerWaalsContact O-CB 3.24Å; T67-S71 WeakPolarHBondContact O-CB 3.32Å; T67-S71 PolarHBondContact O-N 3.4Å; T67-S71 PolarHBondContact O-OG 2.94Å |
| 68 | T | 93.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 73.1 Ų | 73.1 | 14% | 0.135 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | L46 L64 A65 V66 S71 N72 | L46-T68 HydrophobicContact CD1-CG2 4.09Å; L46-T68 WeakPolarHBondContact CD1-OG1 3.32Å; L46-T68 HydrophobicContact CD2-CG2 4.43Å; L64-T68 WeakPolarHBondContact O-CB 3.43Å; L64-T68 PolarHBondContact O-N 2.95Å; L64-T68 PolarHBondContact O-OG1 3.34Å; A65-T68 PolarHBondContact O-N 3.46Å; V66-T68 PolarHBondContact O-N 3.01Å; T68-S71 PolarHBondContact O-N 2.89Å; T68-N72 VanDerWaalsContact O-CB 3.29Å; T68-N72 WeakPolarHBondContact O-CB 3.31Å; T68-N72 PolarHBondContact O-N 2.76Å; T68-N72 PolarHBondContact O-ND2 3.46Å |
| 69 | E | 91.7 | Very high | 91.7 | Very high | 143 Ų | 143 | 78.3 Ų | 78.3 | 67% | 0.668 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.5 | -48.2 | 175.8 | -175.6 | 178.7 | -177.4 | 0 | 0 | 111.8 | A65 V66 S71 N72 S73 | A65-E69 WeakPolarHBondContact O-CB 3.21Å; A65-E69 PolarHBondContact O-N 3.05Å; V66-E69 PolarHBondContact O-N 2.75Å; E69-S71 VanDerWaalsContact C-N 3.33Å; E69-S71 PolarHBondContact O-N 3.07Å; E69-N72 PolarHBondContact O-N 3.14Å; E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 2.78Å |
| 70 | V | 93.5 | Very high | 90.8 | Very high | 69 Ų | 69 | 77.3 Ų | 77.3 | 42% | 0.418 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111 | V66 S73 K74 | V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 VanDerWaalsContact O-CG2 3.31Å; V66-V70 WeakPolarHBondContact O-CG2 3.39Å; V66-V70 PolarHBondContact O-N 2.84Å; V70-S73 PolarHBondContact O-N 3.49Å; V70-K74 HydrophobicContact CG1-CD 4.22Å; V70-K74 WeakPolarHBondContact O-CG 3.32Å; V70-K74 PolarHBondContact O-N 2.64Å |
| 71 | S | 92.5 | Very high | 89.5 | Confident | 61 Ų | 61 | 80 Ų | 80 | 43% | 0.427 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | T67 T68 E69 S73 K74 V75 | T67-S71 VanDerWaalsContact O-CB 3.24Å; T67-S71 WeakPolarHBondContact O-CB 3.32Å; T67-S71 PolarHBondContact O-N 3.4Å; T67-S71 PolarHBondContact O-OG 2.94Å; T68-S71 PolarHBondContact O-N 2.89Å; E69-S71 VanDerWaalsContact C-N 3.33Å; E69-S71 PolarHBondContact O-N 3.07Å; S71-S73 VanDerWaalsContact C-N 3.31Å; S71-S73 PolarHBondContact O-N 3.31Å; S71-K74 PolarHBondContact O-N 3.45Å; S71-K74 VanDerWaalsContact O-N 3.16Å; S71-V75 WeakPolarHBondContact O-CB 3.1Å; S71-V75 VanDerWaalsContact O-CG2 3.25Å; S71-V75 WeakPolarHBondContact O-CG2 3.26Å; S71-V75 PolarHBondContact O-N 3.49Å |
| 72 | N | 91.1 | Very high | 87.8 | Confident | 85 Ų | 85 | 87.6 Ų | 87.6 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 177.6 | -73.2 | -11.5 | 0 | 0 | 0 | 111.5 | T68 E69 A76 | T68-N72 VanDerWaalsContact O-CB 3.29Å; T68-N72 WeakPolarHBondContact O-CB 3.31Å; T68-N72 PolarHBondContact O-N 2.76Å; T68-N72 PolarHBondContact O-ND2 3.46Å; E69-N72 PolarHBondContact O-N 3.14Å; N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.49Å; N72-A76 PolarHBondContact O-N 2.83Å |
| 73 | S | 89.5 | Confident | 85.8 | Confident | 60 Ų | 60 | 93.7 Ų | 93.7 | 42% | 0.42 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | E69 V70 S71 A76 K77 | E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 2.78Å; V70-S73 PolarHBondContact O-N 3.49Å; S71-S73 VanDerWaalsContact C-N 3.31Å; S71-S73 PolarHBondContact O-N 3.31Å; S73-A76 PolarHBondContact O-N 2.88Å; S73-K77 WeakPolarHBondContact O-CG 3.41Å; S73-K77 PolarHBondContact O-N 3.37Å; S73-K77 VanDerWaalsContact O-N 3.09Å |
| 74 | K | 92.5 | Very high | 83.6 | Confident | 124 Ų | 124 | 92 Ų | 92 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 177.1 | -73.6 | 177.2 | -179.7 | -177.2 | 0 | 112 | V70 S71 A76 K77 M78 | V70-K74 HydrophobicContact CG1-CD 4.22Å; V70-K74 WeakPolarHBondContact O-CG 3.32Å; V70-K74 PolarHBondContact O-N 2.64Å; S71-K74 PolarHBondContact O-N 3.45Å; S71-K74 VanDerWaalsContact O-N 3.16Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.32Å; K74-K77 WeakPolarHBondContact O-CB 3.45Å; K74-K77 PolarHBondContact O-N 2.85Å; K74-K77 VanDerWaalsContact O-N 3.12Å; K74-M78 WeakPolarHBondContact O-CG 3.48Å; K74-M78 PolarHBondContact O-N 2.89Å |
| 75 | V | 91.5 | Very high | 81.4 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 38% | 0.382 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 177.6 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | S71 K77 M78 H79 | S71-V75 WeakPolarHBondContact O-CB 3.1Å; S71-V75 VanDerWaalsContact O-CG2 3.25Å; S71-V75 WeakPolarHBondContact O-CG2 3.26Å; S71-V75 PolarHBondContact O-N 3.49Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.49Å; V75-M78 PolarHBondContact O-N 3.26Å; V75-H79 VanDerWaalsContact CG1-CD2 3.4Å; V75-H79 WeakPolarHBondContact CG1-CD2 3.05Å; V75-H79 PolarHBondContact O-CD2 2.8Å; V75-H79 PolarHBondContact O-N 3.29Å |
| 76 | A | 89.2 | Confident | 79.1 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.2 | -36.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N72 S73 K74 S80 | N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.49Å; N72-A76 PolarHBondContact O-N 2.83Å; S73-A76 PolarHBondContact O-N 2.88Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.32Å; A76-S80 PolarHBondContact O-N 3.49Å |
| 77 | K | 89.4 | Confident | 77 | Confident | 154 Ų | 154 | 106.8 Ų | 106.8 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.8 | -37.5 | 173.4 | -69.4 | 174.2 | -174.4 | -176.3 | 0 | 112.4 | S73 K74 V75 S80 | S73-K77 WeakPolarHBondContact O-CG 3.41Å; S73-K77 PolarHBondContact O-N 3.37Å; S73-K77 VanDerWaalsContact O-N 3.09Å; K74-K77 WeakPolarHBondContact O-CB 3.45Å; K74-K77 PolarHBondContact O-N 2.85Å; K74-K77 VanDerWaalsContact O-N 3.12Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.49Å; K77-S80 WeakPolarHBondContact O-CB 3.32Å; K77-S80 PolarHBondContact O-N 2.94Å |
| 78 | M | 86 | Confident | 74.5 | Confident | 138 Ų | 138 | 111 Ų | 111 | 68% | 0.68 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.1 | -36.7 | 176.5 | -69.2 | 170 | -178.4 | 0 | 0 | 112.7 | K74 V75 | K74-M78 WeakPolarHBondContact O-CG 3.48Å; K74-M78 PolarHBondContact O-N 2.89Å; V75-M78 PolarHBondContact O-N 3.26Å |
| 79 | H | 84.1 | Confident | 72.5 | Confident | 150 Ų | 150 | 115.8 Ų | 115.8 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -88.3 | -4.6 | 177.5 | -67.3 | -58.2 | 0 | 0 | 0 | 113.9 | V75 P81 | V75-H79 VanDerWaalsContact CG1-CD2 3.4Å; V75-H79 WeakPolarHBondContact CG1-CD2 3.05Å; V75-H79 PolarHBondContact O-CD2 2.8Å; V75-H79 PolarHBondContact O-N 3.29Å; H79-P81 WeakPolarHBondContact O-CD 3.27Å |
| 80 | S | 73 | Confident | 70.4 | Confident | 70 Ų | 70 | 117.4 Ų | 117.4 | 49% | 0.49 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -61.6 | 122.9 | 164.7 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | A76 K77 H82 | A76-S80 PolarHBondContact O-N 3.49Å; K77-S80 WeakPolarHBondContact O-CB 3.32Å; K77-S80 PolarHBondContact O-N 2.94Å; S80-H82 PolarHBondContact O-N 3.34Å |
| 81 | P | 66.3 | Low | 68.4 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 69% | 0.688 | 67% | 0.666 | S | S | * | * | trans | -54.3 | 116.2 | 179.8 | 21 | -30.5 | 0 | 0 | 0 | 107.8 | H79 Q83 | H79-P81 WeakPolarHBondContact O-CD 3.27Å; P81-Q83 PolarHBondContact O-N 3.48Å | ||
| 82 | H | 56.9 | Low | 66.4 | Low | 160 Ų | 160 | 127.2 Ų | 127.2 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | trans | -53.1 | 105.5 | 172.6 | -100.1 | -65.5 | 0 | 0 | 0 | 106.9 | S80 G84 | S80-H82 PolarHBondContact O-N 3.34Å; H82-G84 PolarHBondContact O-N 3.06Å | ||
| 83 | Q | 51.6 | Low | 63.9 | Low | 191 Ų | 191 | 133.4 Ų | 133.4 | 89% | 0.893 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -68.3 | 91.7 | 163.5 | -73 | -176.3 | -20.9 | 0 | 0 | 105.9 | P81 | P81-Q83 PolarHBondContact O-N 3.48Š|
| 84 | G | 47.1 | Very low | 61.7 | Low | 68 Ų | 68 | 142.5 Ų | 142.5 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 63 | 76.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | H82 | H82-G84 PolarHBondContact O-N 3.06Š|
| 85 | E | 47.9 | Very low | 59.1 | Low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | trans | -156.9 | 78.1 | 152 | -113.8 | 171.3 | -165.9 | 0 | 0 | 109 | ||||
| 86 | S | 45.6 | Very low | 56.7 | Low | 120 Ų | 120 | 147.4 Ų | 147.4 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -88.3 | 97.4 | 162.1 | -171.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 87 | Q | 49.2 | Very low | 54.6 | Low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -72.5 | 129.2 | 163.4 | -73.3 | 178.1 | -11.6 | 0 | 0 | 108.6 | V89 | Q87-V89 PolarHBondContact O-N 3Š| ||
| 88 | D | 42.4 | Very low | 52 | Low | 163 Ų | 163 | 153.5 Ų | 153.5 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -52.4 | 117.5 | 180 | -78.9 | -53.2 | 0 | 0 | 0 | 113.1 | ||||
| 89 | V | 52 | Low | 49.8 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -138.6 | 98.5 | 155.9 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | Q87 | Q87-V89 PolarHBondContact O-N 3Š| ||
| 90 | Q | 47.6 | Very low | 47.6 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 54.7 | 94 | 147.8 | -61.4 | 173.9 | -12.6 | 0 | 0 | 118.3 | ||||
| 91 | L | 50.4 | Low | 46 | Very low | 174 Ų | 174 | 162.7 Ų | 162.7 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -114.4 | 112.5 | 152.5 | -135.8 | 97.5 | 0 | 0 | 0 | 110.1 | R93 | L91-R93 PolarHBondContact O-N 3.07Š| ||
| 92 | I | 50.2 | Low | 44.9 | Very low | 163 Ų | 163 | 164.5 Ų | 164.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -71.6 | 120.1 | 173.6 | -64 | 171 | 0 | 0 | 0 | 108.3 | ||||
| 93 | R | 40.4 | Very low | 44.4 | Very low | 214 Ų | 214 | 164.4 Ų | 164.4 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -72.3 | 138.4 | 177.2 | -70.3 | -179.1 | 178.4 | 173 | -0.2 | 111.6 | L91 | L91-R93 PolarHBondContact O-N 3.07Š| ||
| 94 | R | 43.3 | Very low | 44.2 | Very low | 251 Ų | 251 | 163.8 Ų | 163.8 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -134.3 | 119.9 | 145 | -92.3 | -173.3 | 175.7 | 140.4 | -0.3 | 109 | ||||
| 95 | D | 37.6 | Very low | 43.9 | Very low | 132 Ų | 132 | 166.6 Ų | 166.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 148.1 | -179.2 | -59.1 | -64 | 0 | 0 | 0 | 112 | ||||
| 96 | N | 41.2 | Very low | 43.6 | Very low | 159 Ų | 159 | 166 Ų | 166 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -163.9 | 106.1 | 137 | -93 | -20 | 0 | 0 | 0 | 110 | ||||
| 97 | H | 44.8 | Very low | 43.1 | Very low | 171 Ų | 171 | 171.3 Ų | 171.3 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | 31 | 118.7 | 140.1 | -93 | -94.7 | 0 | 0 | 0 | 119.4 | ||||
| 98 | F | 34.4 | Very low | 42.6 | Very low | 176 Ų | 176 | 172.5 Ų | 172.5 | 77% | 0.772 | 82% | 0.816 | S | S | * | * | -172.1 | 145.9 | 99.8 | -167.5 | -109 | 0 | 0 | 0 | 109.6 | |||||
| 99 | Q | 40.3 | Very low | 42.6 | Very low | 138 Ų | 138 | 173.8 Ų | 173.8 | 65% | 0.645 | 82% | 0.816 | S | S | * | * | trans | -62.8 | 154.3 | -173.6 | -64.5 | 143.3 | -75.7 | 0 | 0 | 110.6 | ||||
| 100 | E | 37.8 | Very low | 42.4 | Very low | 174 Ų | 174 | 174.6 Ų | 174.6 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | -167.8 | 110.1 | 64 | -75.5 | 169.6 | 157.4 | 0 | 0 | 107.5 | |||||
| 101 | R | 38 | Very low | 42.3 | Very low | 239 Ų | 239 | 172.1 Ų | 172.1 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | 17 | 113.8 | 107 | -108.6 | -177.7 | -91.2 | -149.5 | -3.5 | 115.5 | |||||
| 102 | I | 43.4 | Very low | 41.9 | Very low | 143 Ų | 143 | 169.4 Ų | 169.4 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | -177.3 | 112.8 | 115.3 | -85.9 | 152 | 0 | 0 | 0 | 110.5 | |||||
| 103 | Q | 47.1 | Very low | 41.7 | Very low | 158 Ų | 158 | 166.7 Ų | 166.7 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | 59.1 | 106.2 | 145.1 | -64.2 | 161 | 11.9 | 0 | 0 | 119.2 | ||||
| 104 | Q | 47 | Very low | 42.2 | Very low | 178 Ų | 178 | 161.4 Ų | 161.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | 52 | 113.9 | 86.3 | -74.7 | 179.8 | -23.7 | 0 | 0 | 111.1 | |||||
| 105 | T | 40.5 | Very low | 42.6 | Very low | 128 Ų | 128 | 157.2 Ų | 157.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | -175.3 | 158.5 | 67.5 | 44 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 106 | V | 42.2 | Very low | 43.2 | Very low | 142 Ų | 142 | 162 Ų | 162 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 87.6 | 111.5 | 159.4 | -158.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 107 | R | 35.5 | Very low | 43.9 | Very low | 232 Ų | 232 | 163.9 Ų | 163.9 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -83.5 | 132.7 | 178 | -69.7 | 169.4 | 164.7 | 164.1 | -6.2 | 110.2 | ||||
| 108 | E | 38.4 | Very low | 44.8 | Very low | 189 Ų | 189 | 160.7 Ų | 160.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -146.9 | 121.2 | 144.7 | -114.6 | 170.8 | -174.2 | 0 | 0 | 108.2 | ||||
| 109 | Q | 42.4 | Very low | 46.9 | Very low | 190 Ų | 190 | 156.9 Ų | 156.9 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -83.9 | 115.4 | -173.1 | -68.4 | 175.1 | -19.2 | 0 | 0 | 109.4 | ||||
| 110 | V | 48.3 | Very low | 48.8 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -118.6 | 121.6 | 168.9 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 111 | V | 44.6 | Very low | 50.7 | Low | 125 Ų | 125 | 148.6 Ų | 148.6 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | -57.6 | 136.8 | 179.8 | -175 | 0 | 0 | 0 | 0 | 110.9 | A113 | V111-A113 PolarHBondContact O-N 3.29Š| ||
| 112 | P | 41.7 | Very low | 52.6 | Low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | -77.6 | 123.1 | -178.4 | 21.1 | -15.6 | 0 | 0 | 0 | 111.5 | S114 | P112-S114 PolarHBondContact O-N 3Š| ||
| 113 | A | 46.7 | Very low | 54.4 | Low | 106 Ų | 106 | 135.5 Ų | 135.5 | 88% | 0.876 | 70% | 0.699 | S | S | * | * | trans | -69 | 97.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | V111 L115 | V111-A113 PolarHBondContact O-N 3.29Å; A113-L115 PolarHBondContact O-N 3.06Å | ||
| 114 | S | 50.2 | Low | 55.8 | Low | 103 Ų | 103 | 129.5 Ų | 129.5 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -68.6 | 115.6 | 172.7 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | P112 R116 | P112-S114 PolarHBondContact O-N 3Å; S114-R116 PolarHBondContact O-N 2.99Å | ||
| 115 | L | 52.2 | Low | 57.5 | Low | 163 Ų | 163 | 121.7 Ų | 121.7 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | trans | 48 | 61.7 | 152.5 | -69.8 | 95.8 | 0 | 0 | 0 | 117.8 | A113 | A113-L115 PolarHBondContact O-N 3.06Š| ||
| 116 | R | 49.9 | Very low | 59.5 | Low | 232 Ų | 232 | 122 Ų | 122 | 88% | 0.875 | 65% | 0.651 | S | S | * | * | trans | -85.5 | 108.5 | 142.5 | -69.9 | -172 | -176.9 | -176.2 | 2.7 | 106.6 | S114 T118 | S114-R116 PolarHBondContact O-N 2.99Å; R116-T118 VanDerWaalsContact C-N 3.25Å; R116-T118 PolarHBondContact O-N 3.15Å | ||
| 117 | K | 56.6 | Low | 61.5 | Low | 200 Ų | 200 | 118 Ų | 118 | 87% | 0.87 | 62% | 0.623 | S | S | * | * | trans | -54.4 | 94 | 167.6 | -79.9 | 177.9 | 177.2 | 176.5 | 0 | 107.6 | T119 | K117-T119 PolarHBondContact O-N 3.05Š| ||
| 118 | T | 63.2 | Low | 63.8 | Low | 104 Ų | 104 | 109.7 Ų | 109.7 | 64% | 0.638 | 60% | 0.601 | S | S | * | * | trans | -71.9 | 103.8 | 179.9 | 48 | 0 | 0 | 0 | 0 | 107.5 | R116 | R116-T118 VanDerWaalsContact C-N 3.25Å; R116-T118 PolarHBondContact O-N 3.15Å | ||
| 119 | T | 78.1 | Confident | 65.7 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | trans | -63.3 | 141.8 | 167.6 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | K117 Y121 G125 | K117-T119 PolarHBondContact O-N 3.05Å; T119-Y121 PolarHBondContact O-N 2.97Å; T119-Y121 VanDerWaalsContact O-N 3.15Å; T119-G125 WeakPolarHBondContact CA-O 3.32Å | ||
| 120 | C | 81.8 | Confident | 67.6 | Low | 0 Ų | 0 | 96.6 Ų | 96.6 | 0% | 0 | 55% | 0.554 | C | S | . | * | trans | -61.3 | 116.7 | 179.3 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | R122 C123 G124 G125 H127 | C120-R122 PolarHBondContact O-N 3.22Å; C120-C123 PolarHBondContact O-N 3.3Å; C120-C123 VanDerWaalsContact SG-SG 3.68Å; C120-G124 VanDerWaalsContact O-CA 3.27Å; C120-G124 WeakPolarHBondContact O-CA 3.38Å; C120-G124 PolarHBondContact O-N 3.27Å; C120-G125 WeakPolarHBondContact CB-O 3.43Å; C120-G125 PolarHBondContact N-O 3Å; C120-H127 WeakPolarHBondContact CB-O 3.49Å; C120-H127 PolarHBondContact SG-NE2 2.98Å | ||
| 121 | Y | 77.2 | Confident | 69.3 | Low | 139 Ų | 139 | 93.7 Ų | 93.7 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -10.3 | 179.9 | 70.3 | -95.2 | 0 | 0 | 0 | 113.9 | T119 P129 V151 | T119-Y121 PolarHBondContact O-N 2.97Å; T119-Y121 VanDerWaalsContact O-N 3.15Å; Y121-P129 HydrophobicContact CD1-CB 3.9Å; Y121-P129 HydrophobicContact CD1-CG 3.5Å; Y121-P129 HydrophobicContact CE1-CB 3.32Å; Y121-P129 HydrophobicContact CE1-CG 3.4Å; Y121-P129 VanDerWaalsContact CE1-CG 3.4Å; Y121-V151 WeakPolarHBondContact O-CG1 3.34Å |
| 122 | R | 76.9 | Confident | 71.1 | Confident | 71 Ų | 71 | 88 Ų | 88 | 27% | 0.268 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -33.7 | 177.9 | -59.9 | 178.5 | 176.7 | -118.4 | 2.6 | 112.8 | C120 F134 K135 | C120-R122 PolarHBondContact O-N 3.22Å; R122-F134 PolarHBondContact NH1-O 3.25Å; R122-F134 VanDerWaalsContact NH1-O 3.16Å; R122-K135 PolarHBondContact NH1-O 3.42Å |
| 123 | C | 81.5 | Confident | 73.1 | Confident | 36 Ų | 36 | 94 Ų | 94 | 24% | 0.243 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.2 | -4.2 | -173.4 | 67.4 | 0 | 0 | 0 | 0 | 115.6 | C120 G125 H127 F134 | C120-C123 PolarHBondContact O-N 3.3Å; C120-C123 VanDerWaalsContact SG-SG 3.68Å; C123-G125 VanDerWaalsContact C-N 3.25Å; C123-G125 PolarHBondContact O-N 2.98Å; C123-H127 PolarHBondContact SG-CE1 3.15Å; C123-H127 PolarHBondContact SG-NE2 3.26Å; C123-H127 VanDerWaalsContact SG-NE2 3.37Å; C123-F134 HydrophobicContact CB-CD2 3.67Å; C123-F134 HydrophobicContact CB-CE2 3.78Å |
| 124 | G | 77.2 | Confident | 74.4 | Confident | 31 Ų | 31 | 93 Ų | 93 | 32% | 0.32 | 49% | 0.489 | S | S | . | . | trans | 77.6 | 2.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C120 | C120-G124 VanDerWaalsContact O-CA 3.27Å; C120-G124 WeakPolarHBondContact O-CA 3.38Å; C120-G124 PolarHBondContact O-N 3.27Å | ||
| 125 | G | 81.6 | Confident | 75.7 | Confident | 15 Ų | 15 | 93.3 Ų | 93.3 | 16% | 0.155 | 48% | 0.477 | C | S | . | . | trans | -77.9 | 163.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T119 C120 C123 H127 | T119-G125 WeakPolarHBondContact CA-O 3.32Å; C120-G125 WeakPolarHBondContact CB-O 3.43Å; C120-G125 PolarHBondContact N-O 3Å; C123-G125 VanDerWaalsContact C-N 3.25Å; C123-G125 PolarHBondContact O-N 2.98Å; G125-H127 PolarHBondContact O-N 3.45Å | ||
| 126 | P | 84.2 | Confident | 76.1 | Confident | 134 Ų | 134 | 91 Ų | 91 | 87% | 0.87 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -83.7 | 57 | -178 | 36.1 | -37 | 0 | 0 | 0 | 112.1 | ||
| 127 | H | 84.2 | Confident | 76.5 | Confident | 58 Ų | 58 | 83 Ų | 83 | 27% | 0.269 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -142 | 161.6 | 177.5 | 56.7 | -94.8 | 0 | 0 | 0 | 111.3 | C120 C123 G125 C132 | C120-H127 WeakPolarHBondContact CB-O 3.49Å; C120-H127 PolarHBondContact SG-NE2 2.98Å; C123-H127 PolarHBondContact SG-CE1 3.15Å; C123-H127 PolarHBondContact SG-NE2 3.26Å; C123-H127 VanDerWaalsContact SG-NE2 3.37Å; G125-H127 PolarHBondContact O-N 3.45Å; H127-C132 WeakPolarHBondContact NE2-CA 3.19Å; H127-C132 WeakPolarHBondContact NE2-CB 3.39Å; H127-C132 PolarHBondContact NE2-SG 3.48Å |
| 128 | S | 82.7 | Confident | 76.3 | Confident | 58 Ų | 58 | 79 Ų | 79 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | trans | -64.1 | 142.8 | 174.4 | 78.4 | 0 | 0 | 0 | 0 | 110.7 | A130 S131 | S128-A130 PolarHBondContact O-N 3.45Å; S128-S131 PolarHBondContact O-N 2.99Å; S128-S131 PolarHBondContact O-OG 3.44Å; S128-S131 VanDerWaalsContact O-OG 3.06Å; S128-S131 PolarHBondContact OG-N 3.12Å; S128-S131 PolarHBondContact OG-OG 3.14Å; S128-S131 VanDerWaalsContact OG-OG 3.07Å | ||
| 129 | P | 79.2 | Confident | 75.9 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 26% | 0.26 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -55.3 | -24 | 174.9 | -26.8 | 35.2 | 0 | 0 | 0 | 114.3 | Y121 C132 | Y121-P129 HydrophobicContact CD1-CB 3.9Å; Y121-P129 HydrophobicContact CD1-CG 3.5Å; Y121-P129 HydrophobicContact CE1-CB 3.32Å; Y121-P129 HydrophobicContact CE1-CG 3.4Å; Y121-P129 VanDerWaalsContact CE1-CG 3.4Å; P129-C132 WeakPolarHBondContact O-CB 3.38Å |
| 130 | A | 81.8 | Confident | 74.5 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -73.9 | -23.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S128 K135 | S128-A130 PolarHBondContact O-N 3.45Å; A130-K135 WeakPolarHBondContact O-CD 3.45Å; A130-K135 PolarHBondContact O-NZ 2.97Å; A130-K135 VanDerWaalsContact O-NZ 3.15Å |
| 131 | S | 83 | Confident | 72.8 | Confident | 77 Ų | 77 | 93.6 Ų | 93.6 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -103.3 | 12.2 | 177.7 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | S128 | S128-S131 PolarHBondContact O-N 2.99Å; S128-S131 PolarHBondContact O-OG 3.44Å; S128-S131 VanDerWaalsContact O-OG 3.06Å; S128-S131 PolarHBondContact OG-N 3.12Å; S128-S131 PolarHBondContact OG-OG 3.14Å; S128-S131 VanDerWaalsContact OG-OG 3.07Å |
| 132 | C | 84 | Confident | 71.3 | Confident | 7 Ų | 7 | 92.1 Ų | 92.1 | 5% | 0.047 | 51% | 0.508 | C | S | . | . | trans | -74.7 | 133 | -178.5 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | H127 P129 F134 K135 | H127-C132 WeakPolarHBondContact NE2-CA 3.19Å; H127-C132 WeakPolarHBondContact NE2-CB 3.39Å; H127-C132 PolarHBondContact NE2-SG 3.48Å; P129-C132 WeakPolarHBondContact O-CB 3.38Å; C132-F134 PolarHBondContact O-N 3.15Å; C132-F134 VanDerWaalsContact O-N 3.11Å; C132-F134 PolarHBondContact SG-N 3.23Å; C132-F134 VanDerWaalsContact SG-N 3.42Å; C132-K135 WeakPolarHBondContact O-CB 3.29Å; C132-K135 PolarHBondContact O-N 3.45Å | ||
| 133 | R | 83 | Confident | 70.2 | Confident | 241 Ų | 241 | 97.1 Ų | 97.1 | 91% | 0.909 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.7 | 171.3 | -176.7 | 176.2 | 163.8 | 139.5 | -1.3 | 112.7 | K135 | R133-K135 VanDerWaalsContact C-N 3.35Š|
| 134 | F | 74.1 | Confident | 68.5 | Low | 87 Ų | 87 | 101.9 Ų | 101.9 | 38% | 0.382 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | 19.7 | 175 | -50.7 | -75.6 | 0 | 0 | 0 | 113.5 | R122 C123 C132 C136 | R122-F134 PolarHBondContact NH1-O 3.25Å; R122-F134 VanDerWaalsContact NH1-O 3.16Å; C123-F134 HydrophobicContact CB-CD2 3.67Å; C123-F134 HydrophobicContact CB-CE2 3.78Å; C132-F134 PolarHBondContact O-N 3.15Å; C132-F134 VanDerWaalsContact O-N 3.11Å; C132-F134 PolarHBondContact SG-N 3.23Å; C132-F134 VanDerWaalsContact SG-N 3.42Å; F134-C136 VanDerWaalsContact C-N 3.28Å; F134-C136 PolarHBondContact O-N 3.33Å |
| 135 | K | 76.2 | Confident | 66.6 | Low | 108 Ų | 108 | 106.5 Ų | 106.5 | 47% | 0.47 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -61.9 | -36.2 | 178.2 | -178.9 | -175.2 | -171.7 | 173 | 0 | 112.4 | R122 A130 C132 R133 | R122-K135 PolarHBondContact NH1-O 3.42Å; A130-K135 WeakPolarHBondContact O-CD 3.45Å; A130-K135 PolarHBondContact O-NZ 2.97Å; A130-K135 VanDerWaalsContact O-NZ 3.15Å; C132-K135 WeakPolarHBondContact O-CB 3.29Å; C132-K135 PolarHBondContact O-N 3.45Å; R133-K135 VanDerWaalsContact C-N 3.35Å |
| 136 | C | 60.6 | Low | 64.6 | Low | 115 Ų | 115 | 116 Ų | 116 | 78% | 0.777 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -117.3 | 13.8 | -171.3 | -56.6 | 0 | 0 | 0 | 0 | 114.6 | F134 T138 | F134-C136 VanDerWaalsContact C-N 3.28Å; F134-C136 PolarHBondContact O-N 3.33Å; C136-T138 PolarHBondContact O-N 3.05Å |
| 137 | S | 60.1 | Low | 62.8 | Low | 63 Ų | 63 | 118.3 Ų | 118.3 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | trans | -79.3 | 115.3 | 173.3 | 66.6 | 0 | 0 | 0 | 0 | 109.8 | F139 | S137-F139 PolarHBondContact O-N 2.99Š| ||
| 138 | T | 52.2 | Low | 61.3 | Low | 117 Ų | 117 | 119.9 Ų | 119.9 | 72% | 0.718 | 62% | 0.624 | S | S | * | * | trans | -58.4 | 123.2 | 168 | 46 | 0 | 0 | 0 | 0 | 109.3 | C136 N140 | C136-T138 PolarHBondContact O-N 3.05Å; T138-N140 PolarHBondContact O-N 2.85Å | ||
| 139 | F | 53.8 | Low | 59.9 | Low | 182 Ų | 182 | 124.8 Ų | 124.8 | 80% | 0.798 | 64% | 0.64 | S | S | * | * | trans | -63.8 | 93 | -178.6 | -84.9 | -98.4 | 0 | 0 | 0 | 110.8 | S137 F141 | S137-F139 PolarHBondContact O-N 2.99Å; F139-F141 PolarHBondContact O-N 3.43Å | ||
| 140 | N | 49.7 | Very low | 58.7 | Low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | trans | -89.2 | 101.1 | 166.6 | -72.4 | -20.8 | 0 | 0 | 0 | 108.5 | T138 | T138-N140 PolarHBondContact O-N 2.85Š| ||
| 141 | F | 45.3 | Very low | 57.8 | Low | 186 Ų | 186 | 133.3 Ų | 133.3 | 82% | 0.816 | 66% | 0.659 | S | S | * | * | trans | 30.8 | 117.3 | 155.8 | -67.2 | -86.9 | 0 | 0 | 0 | 118.4 | F139 K143 | F139-F141 PolarHBondContact O-N 3.43Å; F141-K143 PolarHBondContact O-N 3.37Å | ||
| 142 | C | 45.8 | Very low | 56.5 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | trans | -47.5 | 91.9 | 174.2 | -69.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 143 | K | 53 | Low | 55.4 | Low | 176 Ų | 176 | 142.6 Ų | 142.6 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | trans | -115.3 | 135.7 | 155.2 | -71.3 | -174.4 | -179.5 | -178.4 | 0 | 108 | F141 V145 | F141-K143 PolarHBondContact O-N 3.37Å; K143-V145 PolarHBondContact O-N 3.29Å | ||
| 144 | P | 45.9 | Very low | 54 | Low | 135 Ų | 135 | 134.6 Ų | 134.6 | 88% | 0.877 | 67% | 0.67 | S | S | * | * | trans | -74.2 | 91.6 | -167.8 | 29.6 | -33.2 | 0 | 0 | 0 | 110.7 | ||||
| 145 | V | 37.4 | Very low | 52.9 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | trans | -107.2 | 83.6 | 166.9 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | K143 Q147 | K143-V145 PolarHBondContact O-N 3.29Å; V145-Q147 VanDerWaalsContact C-N 3.33Å; V145-Q147 PolarHBondContact O-N 2.9Å | ||
| 146 | R | 40.8 | Very low | 51.5 | Low | 215 Ų | 215 | 135.8 Ų | 135.8 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 35.4 | 12.9 | 150.7 | -78 | -173.1 | 175.5 | -120 | -1.7 | 123.7 | ||
| 147 | Q | 46 | Very low | 50.7 | Low | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -146.3 | -1.3 | 179.2 | -122.2 | 150.7 | -5.2 | 0 | 0 | 119.3 | V145 | V145-Q147 VanDerWaalsContact C-N 3.33Å; V145-Q147 PolarHBondContact O-N 2.9Å |
| 148 | I | 53 | Low | 50 | Low | 91 Ų | 91 | 134.6 Ų | 134.6 | 47% | 0.467 | 68% | 0.682 | S | S | . | * | trans | -119.4 | 8.2 | -176.4 | -55.6 | 171.9 | 0 | 0 | 0 | 112.8 | R150 V151 | I148-R150 PolarHBondContact O-N 3.4Å; I148-V151 PolarHBondContact O-N 3.41Å | ||
| 149 | E | 52.8 | Low | 49.6 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -25.1 | -176 | -155.8 | 170.6 | -155.2 | 0 | 0 | 113.9 | V151 | E149-V151 PolarHBondContact O-N 3.22Š|
| 150 | R | 55 | Low | 49.1 | Very low | 236 Ų | 236 | 131 Ų | 131 | 89% | 0.891 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -17.8 | -179 | -104.9 | -176 | -79.2 | -177.8 | -5.9 | 115.7 | I148 | I148-R150 PolarHBondContact O-N 3.4Š|
| 151 | V | 61.3 | Low | 48.7 | Very low | 46 Ų | 46 | 127.6 Ų | 127.6 | 28% | 0.279 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134.5 | -0.1 | -170.1 | -137.8 | 0 | 0 | 0 | 0 | 113.6 | Y121 I148 E149 R153 | Y121-V151 WeakPolarHBondContact O-CG1 3.34Å; I148-V151 PolarHBondContact O-N 3.41Å; E149-V151 PolarHBondContact O-N 3.22Å; V151-R153 PolarHBondContact O-N 3.32Å |
| 152 | C | 57.5 | Low | 48.5 | Very low | 52 Ų | 52 | 128 Ų | 128 | 35% | 0.351 | 67% | 0.671 | S | S | . | * | trans | -78.8 | 111.8 | -176.7 | -161.6 | 0 | 0 | 0 | 0 | 111.1 | S154 | C152-S154 PolarHBondContact O-N 2.98Å; C152-S154 PolarHBondContact SG-OG 3.16Å | ||
| 153 | R | 59.3 | Low | 48.5 | Very low | 227 Ų | 227 | 131.8 Ų | 131.8 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -67 | -13 | -177.5 | -67.4 | -175.1 | 174.4 | -160.3 | -1.8 | 114.1 | V151 N155 | V151-R153 PolarHBondContact O-N 3.32Å; R153-N155 VanDerWaalsContact C-N 3.28Å; R153-N155 PolarHBondContact O-N 3.14Å |
| 154 | S | 54.1 | Low | 47.9 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 51% | 0.51 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -80.9 | 3.7 | -176.1 | 63.6 | 0 | 0 | 0 | 0 | 115.2 | C152 | C152-S154 PolarHBondContact O-N 2.98Å; C152-S154 PolarHBondContact SG-OG 3.16Å |
| 155 | N | 50.5 | Low | 47.6 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 54% | 0.535 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -113.8 | 9.6 | 175.4 | -111.9 | 1.2 | 0 | 0 | 0 | 114.2 | R153 | R153-N155 VanDerWaalsContact C-N 3.28Å; R153-N155 PolarHBondContact O-N 3.14Å |
| 156 | V | 48.4 | Very low | 47.6 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -98.5 | -0.4 | -176.4 | -168.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 157 | S | 43 | Very low | 47.3 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -121.8 | 0.6 | -179.1 | 49.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 158 | S | 45.4 | Very low | 46.9 | Very low | 59 Ų | 59 | 129.4 Ų | 129.4 | 41% | 0.413 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -106 | -10.3 | -173.3 | 44.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 159 | S | 43.2 | Very low | 46.1 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -84.4 | -15.1 | -179 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 160 | T | 42.8 | Very low | 45.4 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -99.5 | 0.8 | 175.9 | 26.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 161 | A | 42.3 | Very low | 44.4 | Very low | 66 Ų | 66 | 129.4 Ų | 129.4 | 55% | 0.545 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -106.7 | -10.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 162 | K | 40.5 | Very low | 43.4 | Very low | 195 Ų | 195 | 134 Ų | 134 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -99.7 | 6.3 | -175.6 | -105.3 | 177.2 | 178.7 | 179.7 | 0 | 116.3 | ||
| 163 | Q | 45.3 | Very low | 42.5 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -106.9 | 10.2 | 173.2 | -82.7 | -178.6 | -3.2 | 0 | 0 | 114.4 | ||
| 164 | K | 40.8 | Very low | 41.4 | Very low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -111.4 | 13.4 | 179.2 | -84.9 | -175.8 | 173.5 | -176.7 | 0 | 115.3 | ||
| 165 | Q | 41.1 | Very low | 40.7 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -129.2 | 62.9 | 177.4 | -67.1 | -178.4 | 7.2 | 0 | 0 | 110.9 | ||
| 166 | A | 35.8 | Very low | 40 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -159.4 | 53.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 167 | A | 35.2 | Very low | 39.4 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -154.9 | 74.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 168 | K | 37.8 | Very low | 39.1 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 92% | 0.922 | 78% | 0.783 | S | S | * | * | trans | -150.7 | 100.5 | 163.3 | -104.9 | 178.9 | -178.8 | -179.7 | 0 | 107.5 | ||||
| 169 | R | 36.3 | Very low | 39 | Very low | 249 Ų | 249 | 148.1 Ų | 148.1 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -107.1 | 134.3 | 159.6 | -92.3 | -175 | 168.3 | -164.1 | -3.5 | 107.2 | ||||
| 170 | P | 38.2 | Very low | 38.7 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -77.6 | 138.9 | 176.7 | 27.1 | -23.1 | 0 | 0 | 0 | 110.6 | ||||
| 171 | S | 33.5 | Very low | 38.5 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 127.8 | 168.3 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 172 | T | 41 | Very low | 38.5 | Very low | 142 Ų | 142 | 153 Ų | 153 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -119.1 | 124.8 | 159.3 | 36.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 173 | E | 38.3 | Very low | 38.2 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -72.6 | 161.1 | -179 | -56.8 | 175.9 | 141.4 | 0 | 0 | 112.3 | ||||
| 174 | N | 36.5 | Very low | 37.9 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | 104.8 | 127.5 | 137 | -72.5 | -28 | 0 | 0 | 0 | 121 | ||||
| 175 | L | 39.5 | Very low | 37.5 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 88 | 92.4 | 156.3 | -84.9 | 81.4 | 0 | 0 | 0 | 120.8 | ||||
| 176 | I | 36.2 | Very low | 37.4 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | 20 | 116.3 | 118.4 | -41.3 | 163.3 | 0 | 0 | 0 | 116.4 | |||||
| 177 | D | 35 | Very low | 37.3 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | -171.7 | 153.7 | 109.7 | -158.4 | 12.9 | 0 | 0 | 0 | 112.2 | |||||
| 178 | Q | 35.8 | Very low | 37.5 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -78.5 | 137.7 | -169.4 | -57.3 | 165.9 | 17.7 | 0 | 0 | 111.8 | ||||
| 179 | S | 44.5 | Very low | 37.1 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | 158.6 | 127.4 | 126.4 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 180 | L | 37 | Very low | 37.4 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | 50.4 | 118.1 | 139.8 | -60.2 | 164.6 | 0 | 0 | 0 | 119.9 | ||||
| 181 | G | 37.3 | Very low | 37.4 | Very low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | 130.3 | 88.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 182 | T | 43.2 | Very low | 37.4 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | 69.9 | 147.8 | 143.2 | 60.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 183 | P | 34.1 | Very low | 37.4 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -100.6 | 145.5 | -167.4 | 37.7 | -28.2 | 0 | 0 | 0 | 113.2 | ||||
| 184 | S | 38.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -131 | 131.1 | 166 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 185 | V | 33.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | -81.1 | 126.5 | 179.8 | 176.4 | 0 | 0 | 0 | 0 | 108.5 | V187 | V185-V187 HydrophobicContact CG1-CG2 4.29Š| ||
| 186 | N | 39 | Very low | 37.9 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -107.2 | 106.4 | 167.7 | -86 | -26 | 0 | 0 | 0 | 110.3 | ||||
| 187 | V | 33.6 | Very low | 38.3 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -80.6 | 127.2 | 161.7 | 173.7 | 0 | 0 | 0 | 0 | 107.5 | V185 | V185-V187 HydrophobicContact CG1-CG2 4.29Š| ||
| 188 | I | 40 | Very low | 38.7 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -118.8 | 116.7 | 167.6 | -59.5 | 177.2 | 0 | 0 | 0 | 108 | ||||
| 189 | R | 28.9 | Very low | 38.6 | Very low | 201 Ų | 201 | 136.4 Ų | 136.4 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -130.9 | 130.8 | 164.2 | -173.1 | -176.3 | 114 | 162.2 | 2.5 | 107.9 | ||||
| 190 | C | 41.1 | Very low | 38.4 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -164.8 | 109.3 | 155.6 | -138.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 191 | Q | 38.4 | Very low | 38.1 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 58% | 0.584 | 79% | 0.786 | S | S | * | * | 60.5 | 138.6 | 93 | -96.2 | 112.3 | -33.2 | 0 | 0 | 113.3 | |||||
| 192 | T | 34.9 | Very low | 38.1 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | cis | -173.9 | -175.8 | -14.4 | 0.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 193 | D | 41.4 | Very low | 37.6 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 97.4 | 132.6 | 162.4 | -54.7 | -18.6 | 0 | 0 | 0 | 115.8 | ||||
| 194 | A | 42.1 | Very low | 37.8 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | cis | -168.2 | 141.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 195 | L | 39.8 | Very low | 37.3 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 62.1 | 110.3 | 148.7 | -55.8 | 172 | 0 | 0 | 0 | 120.4 | ||||
| 196 | C | 41.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | 173.9 | 108.8 | 118 | -93.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 197 | R | 45.7 | Very low | 37 | Very low | 217 Ų | 217 | 139.4 Ų | 139.4 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | 136.5 | 119.7 | 134.3 | -74.4 | -179.4 | 179.2 | -158.5 | -2.5 | 114.8 | ||||
| 198 | L | 41.5 | Very low | 37.1 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -59.1 | 164 | 173.2 | -81.7 | 162.9 | 0 | 0 | 0 | 114.1 | ||||
| 199 | P | 35 | Very low | 37.1 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -90.3 | 144.9 | -158.1 | 35.8 | -32.7 | 0 | 0 | 0 | 112.5 | ||||
| 200 | L | 39.4 | Very low | 37.2 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 127 | 162.1 | -121 | 96.8 | 0 | 0 | 0 | 109.7 | A202 | L200-A202 PolarHBondContact O-N 2.86Š| ||
| 201 | S | 30.4 | Very low | 36.9 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -57.9 | 119.1 | -178.9 | -44.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 202 | A | 38 | Very low | 36.5 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -148.2 | 114.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L200 I204 | L200-A202 PolarHBondContact O-N 2.86Å; A202-I204 PolarHBondContact O-N 3.13Å | ||
| 203 | E | 33.7 | Very low | 36.3 | Very low | 198 Ų | 198 | 140 Ų | 140 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -56.5 | 115.6 | 172.9 | -59.6 | 174.7 | 159 | 0 | 0 | 110.5 | ||||
| 204 | I | 37.1 | Very low | 35.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | trans | -139 | 111.5 | 159.1 | -55.9 | -178.5 | 0 | 0 | 0 | 109.6 | A202 | A202-I204 PolarHBondContact O-N 3.13Š| ||
| 205 | C | 27.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 86% | 0.858 | 80% | 0.796 | S | S | * | * | trans | -54 | 132 | 165.7 | 175.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 206 | G | 33.1 | Very low | 35.1 | Very low | 57 Ų | 57 | 146.1 Ų | 146.1 | 59% | 0.588 | 80% | 0.8 | S | S | * | * | trans | 170.7 | 84 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V208 | G206-V208 PolarHBondContact O-N 3.08Š| ||
| 207 | D | 32.9 | Very low | 35.2 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -56.2 | 102.4 | 172.8 | -54.9 | -44.4 | 0 | 0 | 0 | 110.1 | ||||
| 208 | V | 35.8 | Very low | 34.9 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -110.2 | 104.4 | 160 | -179.9 | 0 | 0 | 0 | 0 | 105.6 | G206 | G206-V208 PolarHBondContact O-N 3.08Š| ||
| 209 | E | 39.6 | Very low | 35.4 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -114.2 | 113.4 | 162.7 | -139.2 | -167.6 | -172.6 | 0 | 0 | 108.3 | ||||
| 210 | P | 32.8 | Very low | 36.1 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -96.6 | 118.2 | 170.5 | 33.1 | -22 | 0 | 0 | 0 | 108.6 | ||||
| 211 | L | 34.7 | Very low | 36.7 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | trans | -132.1 | 102.3 | 166.2 | -86 | 161.9 | 0 | 0 | 0 | 109.8 | I213 | L211-I213 PolarHBondContact O-N 3.15Š| ||
| 212 | E | 28.8 | Very low | 37.7 | Very low | 188 Ų | 188 | 124.9 Ų | 124.9 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | trans | -53.1 | 116.8 | 153.2 | -69 | 178.5 | 139.1 | 0 | 0 | 108.4 | ||||
| 213 | I | 31.8 | Very low | 38.3 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 65% | 0.651 | 67% | 0.672 | S | S | * | * | trans | -121.2 | 96.6 | 162.3 | -59.2 | 178.1 | 0 | 0 | 0 | 106.4 | L211 M215 | L211-I213 PolarHBondContact O-N 3.15Å; I213-M215 HydrophobicContact CG2-CB 4.09Å; I213-M215 HydrophobicContact CG2-CG 3.63Å; I213-M215 HydrophobicContact CG2-SD 4.19Å; I213-M215 PolarHBondContact O-N 3.04Å; I213-M215 VanDerWaalsContact O-N 3.14Å | ||
| 214 | H | 30.1 | Very low | 39.1 | Very low | 195 Ų | 195 | 118.1 Ų | 118.1 | 90% | 0.903 | 65% | 0.646 | S | S | * | * | trans | -59.6 | 104.5 | 153.2 | -99.8 | 65.2 | 0 | 0 | 0 | 107.2 | ||||
| 215 | M | 32.6 | Very low | 39.6 | Very low | 152 Ų | 152 | 118.4 Ų | 118.4 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | trans | -125.9 | 116 | 163.5 | -96.6 | -169.1 | 63 | 0 | 0 | 108.4 | I213 E217 | I213-M215 HydrophobicContact CG2-CB 4.09Å; I213-M215 HydrophobicContact CG2-CG 3.63Å; I213-M215 HydrophobicContact CG2-SD 4.19Å; I213-M215 PolarHBondContact O-N 3.04Å; I213-M215 VanDerWaalsContact O-N 3.14Å; M215-E217 PolarHBondContact O-N 3.27Å | ||
| 216 | L | 35.1 | Very low | 41.4 | Very low | 179 Ų | 179 | 112.5 Ų | 112.5 | 94% | 0.937 | 61% | 0.607 | S | S | * | * | trans | -48.8 | 113.3 | 171.8 | -86.6 | 96.5 | 0 | 0 | 0 | 109.6 | S218 | L216-S218 PolarHBondContact O-N 2.8Š| ||
| 217 | E | 43.4 | Very low | 43.1 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 51% | 0.505 | 59% | 0.59 | S | S | . | * | trans | -82.9 | 103.5 | 179.9 | -167.1 | 144 | -159.5 | 0 | 0 | 108.3 | M215 P219 R269 | M215-E217 PolarHBondContact O-N 3.27Å; E217-P219 VanDerWaalsContact O-CD 3.3Å; E217-P219 WeakPolarHBondContact O-CD 3.08Å; E217-R269 IonicContact OE1-CZ 3.57Å; E217-R269 IonicContact OE1-NH1 3.19Å; E217-R269 PolarHBondContact OE1-NH1 3.24Å; E217-R269 IonicContact OE1-NH2 3.61Å; E217-R269 PolarHBondContact OE1-NH2 2.72Å | ||
| 218 | S | 40.3 | Very low | 45 | Very low | 84 Ų | 84 | 109.7 Ų | 109.7 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | trans | -82 | 109.9 | 162.9 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | L216 | L216-S218 PolarHBondContact O-N 2.8Š| ||
| 219 | P | 50.9 | Low | 47.1 | Very low | 86 Ų | 86 | 110.6 Ų | 110.6 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | trans | -105.5 | 84.5 | -171.2 | 35 | -20.8 | 0 | 0 | 0 | 109.6 | E217 | E217-P219 VanDerWaalsContact O-CD 3.3Å; E217-P219 WeakPolarHBondContact O-CD 3.08Å | ||
| 220 | Q | 49.7 | Very low | 49 | Very low | 135 Ų | 135 | 102.6 Ų | 102.6 | 63% | 0.631 | 53% | 0.531 | S | S | * | . | trans | -124.6 | 85.5 | 159.2 | -62.6 | -59.4 | -34.3 | 0 | 0 | 109 | P249 | Q220-P249 HydrophobicContact CB-CB 4.43Å; Q220-P249 HydrophobicContact CB-CG 4.35Å | ||
| 221 | P | 52.4 | Low | 51.3 | Low | 27 Ų | 27 | 99.4 Ų | 99.4 | 18% | 0.175 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 145.5 | 172.4 | 22 | -25 | 0 | 0 | 0 | 110.7 | P305 | P221-P305 HydrophobicContact CB-CG 4Å; P221-P305 HydrophobicContact CG-CB 3.55Å; P221-P305 HydrophobicContact CG-CG 3.52Å |
| 222 | P | 50.2 | Low | 53.6 | Low | 32 Ų | 32 | 97 Ų | 97 | 21% | 0.208 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 137.2 | -179.9 | 3.4 | -14.1 | 0 | 0 | 0 | 112.7 | Q224 S226 L230 C250 | P222-Q224 PolarHBondContact O-N 3.37Å; P222-S226 WeakPolarHBondContact CB-OG 3.27Å; P222-L230 HydrophobicContact CB-CD1 3.71Å; P222-L230 HydrophobicContact CG-CD1 3.73Å; P222-C250 VanDerWaalsContact CB-SG 3.57Å; P222-C250 VanDerWaalsContact CG-SG 3.5Å |
| 223 | P | 50.8 | Low | 56.3 | Low | 64 Ų | 64 | 89.3 Ų | 89.3 | 42% | 0.416 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 133.1 | 169.1 | 23.7 | -30.3 | 0 | 0 | 0 | 109.2 | I225 S226 A246 | P223-I225 PolarHBondContact O-N 3.19Å; P223-S226 VanDerWaalsContact O-CB 3.32Å; P223-S226 WeakPolarHBondContact O-CB 3.43Å; P223-S226 PolarHBondContact O-N 3.38Å; P223-S226 PolarHBondContact O-OG 3.11Å; P223-A246 HydrophobicContact CG-CB 3.91Å |
| 224 | Q | 50.5 | Low | 58.8 | Low | 80 Ų | 80 | 84.9 Ų | 84.9 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -53.4 | -20.2 | -163.2 | -67.8 | 144.8 | -28 | 0 | 0 | 116 | P222 S226 A227 Q274 | P222-Q224 PolarHBondContact O-N 3.37Å; Q224-S226 PolarHBondContact O-N 3.47Å; Q224-A227 PolarHBondContact O-N 3.3Å; Q224-Q274 VanDerWaalsContact CD-OE1 3.26Å; Q224-Q274 HydrophobicContact CG-CB 4.42Å; Q224-Q274 VanDerWaalsContact NE2-CB 3.3Å; Q224-Q274 VanDerWaalsContact NE2-CD 3.29Å; Q224-Q274 VanDerWaalsContact NE2-CG 3.33Å |
| 225 | I | 48.9 | Very low | 61.4 | Low | 166 Ų | 166 | 81.8 Ų | 81.8 | 85% | 0.851 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -67.8 | -11.4 | 177.3 | -49.2 | 167.6 | 0 | 0 | 0 | 111.7 | P223 | P223-I225 PolarHBondContact O-N 3.19Š|
| 226 | S | 65.3 | Low | 63.7 | Low | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -92.6 | -16 | -178.3 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | P222 P223 Q224 E228 R229 L230 | P222-S226 WeakPolarHBondContact CB-OG 3.27Å; P223-S226 VanDerWaalsContact O-CB 3.32Å; P223-S226 WeakPolarHBondContact O-CB 3.43Å; P223-S226 PolarHBondContact O-N 3.38Å; P223-S226 PolarHBondContact O-OG 3.11Å; Q224-S226 PolarHBondContact O-N 3.47Å; S226-E228 PolarHBondContact O-N 2.83Å; S226-R229 PolarHBondContact O-N 3.19Å; S226-L230 VanDerWaalsContact O-CB 3.32Å; S226-L230 WeakPolarHBondContact O-CB 3.3Å; S226-L230 WeakPolarHBondContact O-CG 3.34Å; S226-L230 PolarHBondContact O-N 2.92Å |
| 227 | A | 68.6 | Low | 66 | Low | 28 Ų | 28 | 76.1 Ų | 76.1 | 23% | 0.231 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q224 R231 | Q224-A227 PolarHBondContact O-N 3.3Å; A227-R231 VanDerWaalsContact O-CG 3.27Å; A227-R231 WeakPolarHBondContact O-CG 3.12Å; A227-R231 PolarHBondContact O-N 3.42Å |
| 228 | E | 73.1 | Confident | 68 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.4 | -45 | 178.4 | -43.8 | -143.5 | 110.4 | 0 | 0 | 111.8 | R24 S226 R231 D232 | R24-E228 IonicContact NH2-OE1 3.33Å; R24-E228 PolarHBondContact NH2-OE1 3.45Å; R24-E228 IonicContact NH2-OE2 3.54Å; S226-E228 PolarHBondContact O-N 2.83Å; E228-R231 VanDerWaalsContact CG-NH2 3.29Å; E228-R231 WeakPolarHBondContact O-CB 3.42Å; E228-R231 PolarHBondContact O-N 3.27Å; E228-R231 IonicContact OE1-NH2 3.92Å; E228-R231 PolarHBondContact OE1-NH2 3.46Å; E228-D232 PolarHBondContact O-N 3.16Å |
| 229 | R | 78.5 | Confident | 69.9 | Low | 150 Ų | 150 | 71.7 Ų | 71.7 | 57% | 0.566 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.6 | -38.1 | 179.7 | -163.6 | 170.6 | -171.2 | 166.4 | -1.6 | 111.8 | S226 D232 W233 F247 | S226-R229 PolarHBondContact O-N 3.19Å; R229-D232 WeakPolarHBondContact O-CB 3.43Å; R229-D232 PolarHBondContact O-N 2.83Å; R229-W233 HydrophobicContact CG-CD2 4.11Å; R229-W233 HydrophobicContact CG-CE3 4.44Å; R229-W233 HydrophobicContact CG-CH2 3.95Å; R229-W233 HydrophobicContact CG-CZ2 3.65Å; R229-W233 HydrophobicContact CG-CZ3 4.35Å; R229-W233 VanDerWaalsContact O-CG 3.31Å; R229-W233 PolarHBondContact O-N 2.94Å; R229-F247 HydrophobicContact CB-CE1 4.49Å |
| 230 | L | 79.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 172.1 | -73.9 | 169.7 | 0 | 0 | 0 | 111.5 | P222 S226 D232 W233 T234 W238 F247 C250 L264 | P222-L230 HydrophobicContact CB-CD1 3.71Å; P222-L230 HydrophobicContact CG-CD1 3.73Å; S226-L230 VanDerWaalsContact O-CB 3.32Å; S226-L230 WeakPolarHBondContact O-CB 3.3Å; S226-L230 WeakPolarHBondContact O-CG 3.34Å; S226-L230 PolarHBondContact O-N 2.92Å; L230-D232 VanDerWaalsContact C-N 3.28Å; L230-D232 PolarHBondContact O-N 2.98Å; L230-W233 HydrophobicContact CD2-CE3 4.13Å; L230-W233 HydrophobicContact CD2-CZ3 4.4Å; L230-W233 PolarHBondContact O-N 3.41Å; L230-T234 VanDerWaalsContact O-CB 3.29Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 PolarHBondContact O-N 2.64Å; L230-T234 PolarHBondContact O-OG1 3.29Å; L230-W238 HydrophobicContact CD2-CH2 3.67Å; L230-W238 HydrophobicContact CD2-CZ3 3.92Å; L230-F247 HydrophobicContact CD2-CD1 4.04Å; L230-F247 HydrophobicContact CG-CD1 4.18Å; L230-F247 HydrophobicContact CG-CE1 4.25Å; L230-C250 HydrophobicContact CD1-CB 4.42Å; L230-C250 HydrophobicContact CD2-CB 3.65Å; L230-L264 HydrophobicContact CB-CD2 3.99Å; L230-L264 HydrophobicContact CD1-CD2 4.12Å |
| 231 | R | 82.1 | Confident | 72.5 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 15% | 0.151 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 174.2 | -74.4 | -175.4 | -53.2 | -103.6 | 9.9 | 111.4 | A227 E228 R235 V259 D262 L264 | A227-R231 VanDerWaalsContact O-CG 3.27Å; A227-R231 WeakPolarHBondContact O-CG 3.12Å; A227-R231 PolarHBondContact O-N 3.42Å; E228-R231 VanDerWaalsContact CG-NH2 3.29Å; E228-R231 WeakPolarHBondContact O-CB 3.42Å; E228-R231 PolarHBondContact O-N 3.27Å; E228-R231 IonicContact OE1-NH2 3.92Å; E228-R231 PolarHBondContact OE1-NH2 3.46Å; R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.89Å; R231-R235 VanDerWaalsContact O-N 3.12Å; R231-V259 HydrophobicContact CB-CG2 4.35Å; R231-V259 HydrophobicContact CG-CG2 4.29Å; R231-D262 WeakPolarHBondContact CD-O 3.23Å; R231-L264 HydrophobicContact CG-CB 4.11Å |
| 232 | D | 83 | Confident | 73.6 | Confident | 79 Ų | 79 | 84.4 Ų | 84.4 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 178.9 | -168.8 | 45.8 | 0 | 0 | 0 | 112 | E228 R229 L230 T234 R235 H236 | E228-D232 PolarHBondContact O-N 3.16Å; R229-D232 WeakPolarHBondContact O-CB 3.43Å; R229-D232 PolarHBondContact O-N 2.83Å; L230-D232 VanDerWaalsContact C-N 3.28Å; L230-D232 PolarHBondContact O-N 2.98Å; D232-T234 PolarHBondContact O-N 3.28Å; D232-R235 PolarHBondContact O-N 2.83Å; D232-R235 VanDerWaalsContact O-N 3.15Å; D232-H236 PolarHBondContact O-N 3.22Å; D232-H236 PolarHBondContact O-ND1 3.33Å; D232-H236 VanDerWaalsContact O-ND1 3.14Å; D232-H236 IonicContact OD1-CE1 2.94Å; D232-H236 PolarHBondContact OD1-CE1 3.23Å; D232-H236 IonicContact OD1-ND1 3Å; D232-H236 PolarHBondContact OD1-ND1 3.08Å |
| 233 | W | 85.4 | Confident | 74.9 | Confident | 26 Ų | 26 | 84.3 Ų | 84.3 | 10% | 0.098 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.2 | -68.7 | -23 | 0 | 0 | 0 | 113.4 | R229 L230 R235 A237 W238 P239 V243 F247 | R229-W233 HydrophobicContact CG-CD2 4.11Å; R229-W233 HydrophobicContact CG-CE3 4.44Å; R229-W233 HydrophobicContact CG-CH2 3.95Å; R229-W233 HydrophobicContact CG-CZ2 3.65Å; R229-W233 HydrophobicContact CG-CZ3 4.35Å; R229-W233 VanDerWaalsContact O-CG 3.31Å; R229-W233 PolarHBondContact O-N 2.94Å; L230-W233 HydrophobicContact CD2-CE3 4.13Å; L230-W233 HydrophobicContact CD2-CZ3 4.4Å; L230-W233 PolarHBondContact O-N 3.41Å; W233-R235 PolarHBondContact O-N 2.87Å; W233-A237 WeakPolarHBondContact CA-O 3.21Å; W233-A237 CarbonylContact O-C 3.59Å; W233-A237 WeakPolarHBondContact O-CA 3.32Å; W233-A237 PolarHBondContact O-N 3.26Å; W233-A237 VanDerWaalsContact O-N 3.14Å; W233-W238 HydrophobicContact CB-CD2 4.33Å; W233-W238 HydrophobicContact CB-CE3 4.45Å; W233-W238 HydrophobicContact CE3-CE3 4.27Å; W233-W238 HydrophobicContact CE3-CZ3 4.17Å; W233-P239 HydrophobicContact CD2-CG 3.97Å; W233-P239 HydrophobicContact CE3-CG 4.27Å; W233-P239 HydrophobicContact CH2-CG 4.18Å; W233-P239 HydrophobicContact CZ2-CG 3.8Å; W233-P239 HydrophobicContact CZ3-CG 4.38Å; W233-V243 HydrophobicContact CH2-CG1 3.4Å; W233-V243 HydrophobicContact CH2-CG2 4.45Å; W233-V243 HydrophobicContact CZ2-CG1 4.36Å; W233-V243 HydrophobicContact CZ3-CG1 3.86Å; W233-F247 HydrophobicContact CH2-CD1 4.07Å; W233-F247 HydrophobicContact CH2-CD2 4.47Å; W233-F247 HydrophobicContact CH2-CE1 4.08Å; W233-F247 HydrophobicContact CH2-CG 4.24Å; W233-F247 HydrophobicContact CH2-CZ 4.36Å; W233-F247 HydrophobicContact CZ3-CB 4.34Å; W233-F247 AromaticContact CZ3-CD1 3.51Å; W233-F247 HydrophobicContact CZ3-CD1 3.51Å; W233-F247 AromaticContact CZ3-CE1 3.78Å; W233-F247 HydrophobicContact CZ3-CE1 3.78Å; W233-F247 AromaticContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CZ 4.5Å |
| 234 | T | 85.1 | Confident | 76.3 | Confident | 33 Ų | 33 | 85 Ų | 85 | 20% | 0.202 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.5 | -24.7 | 177.8 | -50 | 0 | 0 | 0 | 0 | 111.7 | L230 D232 L257 V259 | L230-T234 VanDerWaalsContact O-CB 3.29Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 PolarHBondContact O-N 2.64Å; L230-T234 PolarHBondContact O-OG1 3.29Å; D232-T234 PolarHBondContact O-N 3.28Å; T234-L257 HydrophobicContact CG2-CB 4.45Å; T234-L257 WeakPolarHBondContact CG2-O 3.32Å; T234-V259 HydrophobicContact CG2-CG2 3.76Å |
| 235 | R | 83.6 | Confident | 77.6 | Confident | 131 Ų | 131 | 87.9 Ų | 87.9 | 49% | 0.494 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -85.4 | -46.3 | 177.6 | -78.9 | 177.9 | 171.2 | 172.3 | 0.1 | 113.6 | R231 D232 W233 V259 D262 | R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.89Å; R231-R235 VanDerWaalsContact O-N 3.12Å; D232-R235 PolarHBondContact O-N 2.83Å; D232-R235 VanDerWaalsContact O-N 3.15Å; W233-R235 PolarHBondContact O-N 2.87Å; R235-V259 HydrophobicContact CG-CB 4.45Å; R235-D262 IonicContact CZ-OD1 3.41Å; R235-D262 IonicContact NH1-OD1 2.66Å; R235-D262 PolarHBondContact NH1-OD1 3.09Å; R235-D262 IonicContact NH2-OD1 3.67Å; R235-D262 PolarHBondContact NH2-OD1 3.11Å |
| 236 | H | 82 | Confident | 78.8 | Confident | 143 Ų | 143 | 81.8 Ų | 81.8 | 66% | 0.662 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -99.8 | -53.7 | -167.6 | -60.7 | 105.4 | 0 | 0 | 0 | 112.2 | D232 | D232-H236 PolarHBondContact O-N 3.22Å; D232-H236 PolarHBondContact O-ND1 3.33Å; D232-H236 VanDerWaalsContact O-ND1 3.14Å; D232-H236 IonicContact OD1-CE1 2.94Å; D232-H236 PolarHBondContact OD1-CE1 3.23Å; D232-H236 IonicContact OD1-ND1 3Å; D232-H236 PolarHBondContact OD1-ND1 3.08Å |
| 237 | A | 83.1 | Confident | 79.2 | Confident | 68 Ų | 68 | 82.8 Ų | 82.8 | 56% | 0.562 | 42% | 0.417 | S | S | * | . | trans | 176.5 | 150.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | W233 | W233-A237 WeakPolarHBondContact CA-O 3.21Å; W233-A237 CarbonylContact O-C 3.59Å; W233-A237 WeakPolarHBondContact O-CA 3.32Å; W233-A237 PolarHBondContact O-N 3.26Å; W233-A237 VanDerWaalsContact O-N 3.14Å | ||
| 238 | W | 84.1 | Confident | 79.5 | Confident | 52 Ų | 52 | 86.6 Ų | 86.6 | 20% | 0.197 | 43% | 0.428 | C | S | . | . | trans | -72.2 | 141.4 | 170.3 | -72.9 | 84.7 | 0 | 0 | 0 | 111.2 | L230 W233 C250 V251 Q254 L257 | L230-W238 HydrophobicContact CD2-CH2 3.67Å; L230-W238 HydrophobicContact CD2-CZ3 3.92Å; W233-W238 HydrophobicContact CB-CD2 4.33Å; W233-W238 HydrophobicContact CB-CE3 4.45Å; W233-W238 HydrophobicContact CE3-CE3 4.27Å; W233-W238 HydrophobicContact CE3-CZ3 4.17Å; W238-C250 HydrophobicContact CH2-CB 4.29Å; W238-C250 HydrophobicContact CZ3-CB 4.48Å; W238-V251 HydrophobicContact CE3-CG2 4.26Å; W238-V251 HydrophobicContact CZ3-CG2 4.09Å; W238-Q254 HydrophobicContact CD2-CB 3.7Å; W238-Q254 VanDerWaalsContact CE2-CB 3.42Å; W238-Q254 HydrophobicContact CE3-CB 4.1Å; W238-Q254 HydrophobicContact CG-CB 4.23Å; W238-Q254 HydrophobicContact CH2-CB 3.99Å; W238-Q254 HydrophobicContact CZ2-CB 3.59Å; W238-Q254 HydrophobicContact CZ3-CB 4.23Å; W238-L257 HydrophobicContact CH2-CD1 3.5Å; W238-L257 VanDerWaalsContact CH2-CD1 3.5Å; W238-L257 HydrophobicContact CZ2-CB 4.24Å; W238-L257 HydrophobicContact CZ2-CD1 3.6Å | ||
| 239 | P | 81.1 | Confident | 79.6 | Confident | 47 Ų | 47 | 83.4 Ų | 83.4 | 31% | 0.305 | 42% | 0.418 | S | S | . | . | trans | -65.6 | 136.2 | 179.2 | 28.8 | -36.2 | 0 | 0 | 0 | 110.7 | W233 V243 | W233-P239 HydrophobicContact CD2-CG 3.97Å; W233-P239 HydrophobicContact CE3-CG 4.27Å; W233-P239 HydrophobicContact CH2-CG 4.18Å; W233-P239 HydrophobicContact CZ2-CG 3.8Å; W233-P239 HydrophobicContact CZ3-CG 4.38Å; P239-V243 HydrophobicContact CB-CG2 4.4Å; P239-V243 HydrophobicContact CG-CG2 3.51Å | ||
| 240 | R | 76.5 | Confident | 79.3 | Confident | 253 Ų | 253 | 76.7 Ų | 76.7 | 96% | 0.955 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -77.9 | -23.9 | 174.5 | -64.1 | -177.3 | -176.2 | 178.2 | 0.7 | 113 | ||
| 241 | N | 79.2 | Confident | 79.3 | Confident | 128 Ų | 128 | 79 Ų | 79 | 68% | 0.684 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -78.9 | 151.6 | -178.9 | -68.5 | -17.6 | 0 | 0 | 0 | 111.2 | V243 | N241-V243 PolarHBondContact O-N 3.05Å; N241-V243 VanDerWaalsContact O-N 3.14Å |
| 242 | P | 74.9 | Confident | 79.1 | Confident | 134 Ų | 134 | 81 Ų | 81 | 87% | 0.87 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -56 | 122.7 | 176.7 | 22 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 243 | V | 77 | Confident | 78.8 | Confident | 31 Ų | 31 | 79.8 Ų | 79.8 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 150.8 | 179.2 | -162.6 | 0 | 0 | 0 | 0 | 109 | W233 P239 N241 F247 V251 | W233-V243 HydrophobicContact CH2-CG1 3.4Å; W233-V243 HydrophobicContact CH2-CG2 4.45Å; W233-V243 HydrophobicContact CZ2-CG1 4.36Å; W233-V243 HydrophobicContact CZ3-CG1 3.86Å; P239-V243 HydrophobicContact CB-CG2 4.4Å; P239-V243 HydrophobicContact CG-CG2 3.51Å; N241-V243 PolarHBondContact O-N 3.05Å; N241-V243 VanDerWaalsContact O-N 3.14Å; V243-F247 HydrophobicContact CB-CB 4.14Å; V243-F247 HydrophobicContact CG1-CB 3.45Å; V243-F247 VanDerWaalsContact CG1-CB 3.45Å; V243-F247 HydrophobicContact CG1-CD2 3.58Å; V243-F247 HydrophobicContact CG1-CE2 4.45Å; V243-F247 HydrophobicContact CG1-CG 3.66Å; V243-V251 HydrophobicContact CB-CG2 4.43Å; V243-V251 HydrophobicContact CG2-CG2 4Å |
| 244 | S | 79.9 | Confident | 78.6 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | trans | -45.4 | 141.8 | 171.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | A246 F247 | S244-A246 PolarHBondContact O-N 2.9Å; S244-F247 PolarHBondContact O-N 3.22Å | ||
| 245 | E | 78.2 | Confident | 78.5 | Confident | 139 Ų | 139 | 87.5 Ų | 87.5 | 65% | 0.65 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -38.1 | -39.8 | 177 | -72.6 | -83.4 | 162.3 | 0 | 0 | 113.1 | F247 K248 | E245-F247 PolarHBondContact O-N 3.4Å; E245-F247 VanDerWaalsContact O-N 3.12Å; E245-K248 PolarHBondContact O-N 2.94Å; E245-K248 IonicContact OE1-NZ 2.62Å; E245-K248 PolarHBondContact OE1-NZ 3.11Å; E245-K248 WeakPolarHBondContact OE2-CE 3.5Å; E245-K248 IonicContact OE2-NZ 2.91Å; E245-K248 PolarHBondContact OE2-NZ 3.14Å |
| 246 | A | 73.7 | Confident | 78.5 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -57.3 | -25.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | P223 S244 | P223-A246 HydrophobicContact CG-CB 3.91Å; S244-A246 PolarHBondContact O-N 2.9Å |
| 247 | F | 74.2 | Confident | 78.7 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 10% | 0.101 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -104.5 | -8.5 | -177.4 | -62.6 | -92.5 | 0 | 0 | 0 | 113.5 | R229 L230 W233 V243 S244 E245 P249 C250 V251 | R229-F247 HydrophobicContact CB-CE1 4.49Å; L230-F247 HydrophobicContact CD2-CD1 4.04Å; L230-F247 HydrophobicContact CG-CD1 4.18Å; L230-F247 HydrophobicContact CG-CE1 4.25Å; W233-F247 HydrophobicContact CH2-CD1 4.07Å; W233-F247 HydrophobicContact CH2-CD2 4.47Å; W233-F247 HydrophobicContact CH2-CE1 4.08Å; W233-F247 HydrophobicContact CH2-CG 4.24Å; W233-F247 HydrophobicContact CH2-CZ 4.36Å; W233-F247 HydrophobicContact CZ3-CB 4.34Å; W233-F247 AromaticContact CZ3-CD1 3.51Å; W233-F247 HydrophobicContact CZ3-CD1 3.51Å; W233-F247 AromaticContact CZ3-CE1 3.78Å; W233-F247 HydrophobicContact CZ3-CE1 3.78Å; W233-F247 AromaticContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CZ 4.5Å; V243-F247 HydrophobicContact CB-CB 4.14Å; V243-F247 HydrophobicContact CG1-CB 3.45Å; V243-F247 VanDerWaalsContact CG1-CB 3.45Å; V243-F247 HydrophobicContact CG1-CD2 3.58Å; V243-F247 HydrophobicContact CG1-CE2 4.45Å; V243-F247 HydrophobicContact CG1-CG 3.66Å; S244-F247 PolarHBondContact O-N 3.22Å; E245-F247 PolarHBondContact O-N 3.4Å; E245-F247 VanDerWaalsContact O-N 3.12Å; F247-P249 VanDerWaalsContact C-CD 3.4Å; F247-P249 VanDerWaalsContact C-N 3.31Å; F247-C250 WeakPolarHBondContact O-CA 3.39Å; F247-C250 WeakPolarHBondContact O-CB 3.21Å; F247-C250 PolarHBondContact O-N 2.86Å; F247-V251 WeakPolarHBondContact O-CG2 3.39Å; F247-V251 PolarHBondContact O-N 2.84Å |
| 248 | K | 76.4 | Confident | 78.9 | Confident | 108 Ų | 108 | 79 Ų | 79 | 47% | 0.47 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -50.5 | -43.6 | 180 | -71.3 | 179.5 | 176.7 | 177.5 | 0 | 113.2 | E245 C250 V251 A252 | E245-K248 PolarHBondContact O-N 2.94Å; E245-K248 IonicContact OE1-NZ 2.62Å; E245-K248 PolarHBondContact OE1-NZ 3.11Å; E245-K248 WeakPolarHBondContact OE2-CE 3.5Å; E245-K248 IonicContact OE2-NZ 2.91Å; E245-K248 PolarHBondContact OE2-NZ 3.14Å; K248-C250 VanDerWaalsContact C-N 3.25Å; K248-C250 PolarHBondContact O-N 2.83Å; K248-V251 PolarHBondContact O-N 2.79Å; K248-A252 PolarHBondContact O-N 3.35Å; K248-A252 VanDerWaalsContact O-N 3.11Å |
| 249 | P | 73.4 | Confident | 78.9 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 32% | 0.318 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.4 | -31.4 | 177.3 | -21.6 | 34.1 | 0 | 0 | 0 | 112.9 | Q220 F247 H253 | Q220-P249 HydrophobicContact CB-CB 4.43Å; Q220-P249 HydrophobicContact CB-CG 4.35Å; F247-P249 VanDerWaalsContact C-CD 3.4Å; F247-P249 VanDerWaalsContact C-N 3.31Å; P249-H253 PolarHBondContact O-ND1 2.85Å |
| 250 | C | 73.3 | Confident | 79 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 5% | 0.054 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -77.1 | -37.7 | 179.2 | -57.2 | 0 | 0 | 0 | 0 | 112 | P222 L230 W238 F247 K248 A252 H253 Q254 L257 | P222-C250 VanDerWaalsContact CB-SG 3.57Å; P222-C250 VanDerWaalsContact CG-SG 3.5Å; L230-C250 HydrophobicContact CD1-CB 4.42Å; L230-C250 HydrophobicContact CD2-CB 3.65Å; W238-C250 HydrophobicContact CH2-CB 4.29Å; W238-C250 HydrophobicContact CZ3-CB 4.48Å; F247-C250 WeakPolarHBondContact O-CA 3.39Å; F247-C250 WeakPolarHBondContact O-CB 3.21Å; F247-C250 PolarHBondContact O-N 2.86Å; K248-C250 VanDerWaalsContact C-N 3.25Å; K248-C250 PolarHBondContact O-N 2.83Å; C250-A252 VanDerWaalsContact C-N 3.33Å; C250-H253 CarbonylContact O-C 3.57Å; C250-H253 PolarHBondContact O-N 2.8Å; C250-Q254 WeakPolarHBondContact O-CA 3.44Å; C250-Q254 PolarHBondContact O-N 2.87Å; C250-L257 HydrophobicContact CB-CD1 4.3Å |
| 251 | V | 78.8 | Confident | 79.1 | Confident | 49 Ų | 49 | 72.8 Ų | 72.8 | 30% | 0.297 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | W238 V243 F247 K248 H253 Q254 | W238-V251 HydrophobicContact CE3-CG2 4.26Å; W238-V251 HydrophobicContact CZ3-CG2 4.09Å; V243-V251 HydrophobicContact CB-CG2 4.43Å; V243-V251 HydrophobicContact CG2-CG2 4Å; F247-V251 WeakPolarHBondContact O-CG2 3.39Å; F247-V251 PolarHBondContact O-N 2.84Å; K248-V251 PolarHBondContact O-N 2.79Å; V251-H253 PolarHBondContact O-N 3.27Å; V251-Q254 WeakPolarHBondContact O-CB 3.4Å; V251-Q254 WeakPolarHBondContact O-CG 3.33Å; V251-Q254 PolarHBondContact O-N 2.86Å |
| 252 | A | 78.3 | Confident | 79 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.9 | -32.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K248 C250 | K248-A252 PolarHBondContact O-N 3.35Å; K248-A252 VanDerWaalsContact O-N 3.11Å; C250-A252 VanDerWaalsContact C-N 3.33Å |
| 253 | H | 76 | Confident | 79.4 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 26% | 0.255 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 24.4 | -179.5 | -55.5 | 93.5 | 0 | 0 | 0 | 112.5 | P249 C250 V251 N255 E256 L257 R266 | P249-H253 PolarHBondContact O-ND1 2.85Å; C250-H253 CarbonylContact O-C 3.57Å; C250-H253 PolarHBondContact O-N 2.8Å; V251-H253 PolarHBondContact O-N 3.27Å; H253-N255 PolarHBondContact O-N 3.34Å; H253-E256 IonicContact CD2-OE1 3.91Å; H253-E256 IonicContact CD2-OE2 3.86Å; H253-E256 WeakPolarHBondContact O-CB 3.29Å; H253-E256 PolarHBondContact O-N 3.33Å; H253-L257 PolarHBondContact O-N 3.31Å; H253-R266 PolarHBondContact CD2-NH2 3.29Å; H253-R266 PolarHBondContact NE2-NH2 2.81Å |
| 254 | Q | 81.5 | Confident | 79.7 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -58.3 | -33.7 | -174.9 | 62.9 | -174.3 | 5 | 0 | 0 | 113.4 | W238 C250 V251 E256 L257 | W238-Q254 HydrophobicContact CD2-CB 3.7Å; W238-Q254 VanDerWaalsContact CE2-CB 3.42Å; W238-Q254 HydrophobicContact CE3-CB 4.1Å; W238-Q254 HydrophobicContact CG-CB 4.23Å; W238-Q254 HydrophobicContact CH2-CB 3.99Å; W238-Q254 HydrophobicContact CZ2-CB 3.59Å; W238-Q254 HydrophobicContact CZ3-CB 4.23Å; C250-Q254 WeakPolarHBondContact O-CA 3.44Å; C250-Q254 PolarHBondContact O-N 2.87Å; V251-Q254 WeakPolarHBondContact O-CB 3.4Å; V251-Q254 WeakPolarHBondContact O-CG 3.33Å; V251-Q254 PolarHBondContact O-N 2.86Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 PolarHBondContact O-N 3.16Å; Q254-L257 PolarHBondContact O-N 3.39Å |
| 255 | N | 82.9 | Confident | 80.1 | Confident | 156 Ų | 156 | 60.2 Ų | 60.2 | 83% | 0.834 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -72.4 | -19.4 | 178.9 | -63.1 | -12.9 | 0 | 0 | 0 | 112.9 | H253 | H253-N255 PolarHBondContact O-N 3.34Š|
| 256 | E | 85.1 | Confident | 80.4 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -87.8 | -11.2 | 176.1 | -60.8 | 176.4 | -172.6 | 0 | 0 | 112.4 | H253 Q254 R266 A267 | H253-E256 IonicContact CD2-OE1 3.91Å; H253-E256 IonicContact CD2-OE2 3.86Å; H253-E256 WeakPolarHBondContact O-CB 3.29Å; H253-E256 PolarHBondContact O-N 3.33Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 PolarHBondContact O-N 3.16Å; E256-R266 HydrophobicContact CB-CG 4.07Å; E256-R266 WeakPolarHBondContact O-CA 3.48Å; E256-R266 IonicContact OE2-CZ 2.89Å; E256-R266 VanDerWaalsContact OE2-CZ 3.27Å; E256-R266 IonicContact OE2-NE 2.76Å; E256-R266 PolarHBondContact OE2-NE 2.98Å; E256-R266 IonicContact OE2-NH2 3.07Å; E256-R266 PolarHBondContact OE2-NH2 3.4Å; E256-A267 PolarHBondContact O-N 2.58Å |
| 257 | L | 85.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.1 | -177.2 | -68.8 | 170.6 | 0 | 0 | 0 | 110.3 | T234 W238 C250 H253 Q254 L264 I265 R266 | T234-L257 HydrophobicContact CG2-CB 4.45Å; T234-L257 WeakPolarHBondContact CG2-O 3.32Å; W238-L257 HydrophobicContact CH2-CD1 3.5Å; W238-L257 VanDerWaalsContact CH2-CD1 3.5Å; W238-L257 HydrophobicContact CZ2-CB 4.24Å; W238-L257 HydrophobicContact CZ2-CD1 3.6Å; C250-L257 HydrophobicContact CB-CD1 4.3Å; H253-L257 PolarHBondContact O-N 3.31Å; Q254-L257 PolarHBondContact O-N 3.39Å; L257-L264 HydrophobicContact CB-CD1 4.5Å; L257-L264 HydrophobicContact CD2-CD1 4.21Å; L257-L264 HydrophobicContact CD2-CD2 4.37Å; L257-L264 HydrophobicContact CD2-CG 4.21Å; L257-I265 CarbonylContact C-O 3.55Å; L257-I265 WeakPolarHBondContact CA-O 3.33Å; L257-R266 HydrophobicContact CD2-CB 3.83Å; L257-R266 HydrophobicContact CD2-CG 4.08Å |
| 258 | S | 86.7 | Confident | 81.4 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 157.1 | 175 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | I265 | S258-I265 PolarHBondContact N-O 3.39Å; S258-I265 PolarHBondContact O-N 3.48Å |
| 259 | V | 85.3 | Confident | 81.9 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.3 | 174 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | R231 T234 R235 C263 L264 | R231-V259 HydrophobicContact CB-CG2 4.35Å; R231-V259 HydrophobicContact CG-CG2 4.29Å; T234-V259 HydrophobicContact CG2-CG2 3.76Å; R235-V259 HydrophobicContact CG-CB 4.45Å; V259-C263 WeakPolarHBondContact CA-O 3.44Å; V259-L264 HydrophobicContact CG2-CD1 4.08Å |
| 260 | H | 82 | Confident | 82.6 | Confident | 94 Ų | 94 | 56.6 Ų | 56.6 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 119 | 176.1 | 178.4 | -91.8 | 0 | 0 | 0 | 109.2 | D262 C263 I265 | H260-D262 PolarHBondContact O-N 3.22Å; H260-C263 PolarHBondContact N-O 3.45Å; H260-C263 VanDerWaalsContact O-CB 3.29Å; H260-C263 WeakPolarHBondContact O-CB 3.14Å; H260-C263 PolarHBondContact O-N 3.1Å; H260-I265 HydrophobicContact CB-CD1 3.62Å |
| 261 | I | 79.6 | Confident | 83.3 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 46% | 0.456 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 63.4 | -176.9 | -42.4 | 169.1 | 0 | 0 | 0 | 110.8 | I13 T17 C263 | I13-I261 HydrophobicContact CG2-CD1 4.19Å; T17-I261 HydrophobicContact CG2-CB 3.73Å; T17-I261 HydrophobicContact CG2-CG2 3.31Å; T17-I261 WeakPolarHBondContact CG2-O 3.32Å; I261-C263 PolarHBondContact O-N 3.42Å; I261-C263 PolarHBondContact O-SG 3.41Å |
| 262 | D | 76.6 | Confident | 83.6 | Confident | 88 Ų | 88 | 55.5 Ų | 55.5 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 6.2 | -178.9 | -66 | -57.3 | 0 | 0 | 0 | 116.5 | R231 R235 H260 | R231-D262 WeakPolarHBondContact CD-O 3.23Å; R235-D262 IonicContact CZ-OD1 3.41Å; R235-D262 IonicContact NH1-OD1 2.66Å; R235-D262 PolarHBondContact NH1-OD1 3.09Å; R235-D262 IonicContact NH2-OD1 3.67Å; R235-D262 PolarHBondContact NH2-OD1 3.11Å; H260-D262 PolarHBondContact O-N 3.22Å |
| 263 | C | 82.3 | Confident | 83.9 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.1 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | C16 V259 H260 I261 I270 | C16-C263 WeakPolarHBondContact CB-SG 3.31Å; V259-C263 WeakPolarHBondContact CA-O 3.44Å; H260-C263 PolarHBondContact N-O 3.45Å; H260-C263 VanDerWaalsContact O-CB 3.29Å; H260-C263 WeakPolarHBondContact O-CB 3.14Å; H260-C263 PolarHBondContact O-N 3.1Å; I261-C263 PolarHBondContact O-N 3.42Å; I261-C263 PolarHBondContact O-SG 3.41Å; C263-I270 HydrophobicContact CB-CG2 4.21Å |
| 264 | L | 84.9 | Confident | 84.3 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.5 | 170.5 | -174.7 | 71.8 | 0 | 0 | 0 | 108.5 | L230 R231 L257 V259 A271 | L230-L264 HydrophobicContact CB-CD2 3.99Å; L230-L264 HydrophobicContact CD1-CD2 4.12Å; R231-L264 HydrophobicContact CG-CB 4.11Å; L257-L264 HydrophobicContact CB-CD1 4.5Å; L257-L264 HydrophobicContact CD2-CD1 4.21Å; L257-L264 HydrophobicContact CD2-CD2 4.37Å; L257-L264 HydrophobicContact CD2-CG 4.21Å; V259-L264 HydrophobicContact CG2-CD1 4.08Å; L264-A271 HydrophobicContact CB-CB 4.11Å; L264-A271 HydrophobicContact CD2-CB 4.27Å; L264-A271 HydrophobicContact CG-CB 4.41Å; L264-A271 WeakPolarHBondContact O-CB 3.4Å; L264-A271 PolarHBondContact O-N 3.38Å |
| 265 | I | 86.6 | Confident | 84.4 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.5 | -179.1 | -60.3 | -176.2 | 0 | 0 | 0 | 108 | L257 S258 H260 A267 R269 I270 | L257-I265 CarbonylContact C-O 3.55Å; L257-I265 WeakPolarHBondContact CA-O 3.33Å; S258-I265 PolarHBondContact N-O 3.39Å; S258-I265 PolarHBondContact O-N 3.48Å; H260-I265 HydrophobicContact CB-CD1 3.62Å; I265-A267 WeakPolarHBondContact CG2-O 3.38Å; I265-R269 CarbonylContact C-O 3.04Å; I265-R269 WeakPolarHBondContact CA-O 3.29Å; I265-R269 WeakPolarHBondContact CG2-O 3.48Å; I265-I270 HydrophobicContact CG1-CG1 4.31Å |
| 266 | R | 85.7 | Confident | 84.6 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 23% | 0.226 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.3 | 169.2 | -171.7 | -178 | 170.3 | -163.7 | -4.9 | 108.6 | H253 E256 L257 S268 R269 L303 | H253-R266 PolarHBondContact CD2-NH2 3.29Å; H253-R266 PolarHBondContact NE2-NH2 2.81Å; E256-R266 HydrophobicContact CB-CG 4.07Å; E256-R266 WeakPolarHBondContact O-CA 3.48Å; E256-R266 IonicContact OE2-CZ 2.89Å; E256-R266 VanDerWaalsContact OE2-CZ 3.27Å; E256-R266 IonicContact OE2-NE 2.76Å; E256-R266 PolarHBondContact OE2-NE 2.98Å; E256-R266 IonicContact OE2-NH2 3.07Å; E256-R266 PolarHBondContact OE2-NH2 3.4Å; L257-R266 HydrophobicContact CD2-CB 3.83Å; L257-R266 HydrophobicContact CD2-CG 4.08Å; R266-S268 PolarHBondContact O-N 3.14Å; R266-R269 PolarHBondContact N-O 3.27Å; R266-R269 PolarHBondContact O-N 3.28Å; R266-L303 HydrophobicContact CB-CD2 3.74Å; R266-L303 HydrophobicContact CG-CD2 4.47Å |
| 267 | A | 83.4 | Confident | 84.9 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | -104.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E256 I265 | E256-A267 PolarHBondContact O-N 2.58Å; I265-A267 WeakPolarHBondContact CG2-O 3.38Å |
| 268 | S | 84 | Confident | 85.1 | Confident | 77 Ų | 77 | 52.6 Ų | 52.6 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 2.4 | 178.7 | -68.3 | 0 | 0 | 0 | 0 | 115 | R266 | R266-S268 PolarHBondContact O-N 3.14Š|
| 269 | R | 88.9 | Confident | 85.2 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 26% | 0.26 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 141.7 | -172.7 | -58 | 178.3 | -174.5 | -179 | -1.4 | 111.8 | E217 I265 R266 R299 Y301 L303 | E217-R269 IonicContact OE1-CZ 3.57Å; E217-R269 IonicContact OE1-NH1 3.19Å; E217-R269 PolarHBondContact OE1-NH1 3.24Å; E217-R269 IonicContact OE1-NH2 3.61Å; E217-R269 PolarHBondContact OE1-NH2 2.72Å; I265-R269 CarbonylContact C-O 3.04Å; I265-R269 WeakPolarHBondContact CA-O 3.29Å; I265-R269 WeakPolarHBondContact CG2-O 3.48Å; R266-R269 PolarHBondContact N-O 3.27Å; R266-R269 PolarHBondContact O-N 3.28Å; R269-R299 PolarHBondContact NE-O 2.86Å; R269-R299 PolarHBondContact NH2-O 3.43Å; R269-Y301 WeakPolarHBondContact CA-O 3.32Å; R269-L303 HydrophobicContact CB-CB 3.97Å |
| 270 | I | 87.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.7 | -177.1 | -57.2 | 157.7 | 0 | 0 | 0 | 108.9 | R9 I12 I13 C263 I265 V272 Y301 L303 | R9-I270 HydrophobicContact CG-CD1 4.34Å; I12-I270 HydrophobicContact CB-CD1 4.16Å; I12-I270 HydrophobicContact CG2-CB 4.42Å; I12-I270 HydrophobicContact CG2-CD1 3.73Å; I12-I270 HydrophobicContact CG2-CG2 4.47Å; I13-I270 HydrophobicContact CD1-CD1 4.21Å; I13-I270 HydrophobicContact CG1-CD1 3.44Å; I13-I270 VanDerWaalsContact CG1-CD1 3.44Å; I13-I270 HydrophobicContact CG1-CG1 4.35Å; C263-I270 HydrophobicContact CB-CG2 4.21Å; I265-I270 HydrophobicContact CG1-CG1 4.31Å; I270-V272 HydrophobicContact CG2-CG2 4.47Å; I270-V272 PolarHBondContact O-N 3.47Å; I270-Y301 PolarHBondContact N-O 3.33Å; I270-L303 PolarHBondContact O-N 2.98Å |
| 271 | A | 87.5 | Confident | 85.9 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 105.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L264 L303 | L264-A271 HydrophobicContact CB-CB 4.11Å; L264-A271 HydrophobicContact CD2-CB 4.27Å; L264-A271 HydrophobicContact CG-CB 4.41Å; L264-A271 WeakPolarHBondContact O-CB 3.4Å; L264-A271 PolarHBondContact O-N 3.38Å; A271-L303 WeakPolarHBondContact CA-O 3.33Å |
| 272 | V | 85.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | trans | -90 | 125.2 | -175 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | I12 I270 L276 R277 V280 I302 L303 W304 | I12-V272 HydrophobicContact CG2-CG2 4.21Å; I270-V272 HydrophobicContact CG2-CG2 4.47Å; I270-V272 PolarHBondContact O-N 3.47Å; V272-L276 HydrophobicContact CG1-CB 3.68Å; V272-R277 HydrophobicContact CG1-CG 4.48Å; V272-V280 HydrophobicContact CG1-CG2 3.93Å; V272-I302 HydrophobicContact CG2-CB 4.37Å; V272-I302 HydrophobicContact CG2-CG2 4.05Å; V272-L303 PolarHBondContact N-O 3.01Å; V272-W304 HydrophobicContact CB-CE3 3.52Å; V272-W304 HydrophobicContact CB-CZ3 3.59Å; V272-W304 HydrophobicContact CG1-CE3 4.35Å; V272-W304 HydrophobicContact CG1-CZ3 4.05Å; V272-W304 HydrophobicContact CG2-CE3 3.8Å; V272-W304 HydrophobicContact CG2-CZ3 3.58Å | ||
| 273 | P | 83.7 | Confident | 87 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | trans | -58.1 | 150.6 | 174 | -23.6 | 33.5 | 0 | 0 | 0 | 112.6 | A275 L276 R277 | P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.21Å; P273-L276 HydrophobicContact CG-CD1 4.46Å; P273-L276 PolarHBondContact O-N 3Å; P273-R277 PolarHBondContact O-N 3.32Å | ||
| 274 | Q | 85.1 | Confident | 87.3 | Confident | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -53.8 | -43.8 | -178.9 | -167.2 | 173.8 | -2.4 | 0 | 0 | 113 | Q224 L276 R277 | Q224-Q274 VanDerWaalsContact CD-OE1 3.26Å; Q224-Q274 HydrophobicContact CG-CB 4.42Å; Q224-Q274 VanDerWaalsContact NE2-CB 3.3Å; Q224-Q274 VanDerWaalsContact NE2-CD 3.29Å; Q224-Q274 VanDerWaalsContact NE2-CG 3.33Å; Q274-L276 PolarHBondContact O-N 3.22Å; Q274-R277 PolarHBondContact O-N 2.99Å; Q274-R277 VanDerWaalsContact O-N 3.16Å |
| 275 | A | 83.8 | Confident | 87.5 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 79% | 0.785 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -57.8 | -22.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P273 | P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.21Å |
| 276 | L | 85.8 | Confident | 87.3 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -102.8 | -8.3 | -177 | -73.4 | -176.5 | 0 | 0 | 0 | 115 | C16 A19 V272 P273 Q274 T278 A279 V280 | C16-L276 VanDerWaalsContact CA-CD1 3.46Å; C16-L276 HydrophobicContact CB-CD1 4.25Å; A19-L276 HydrophobicContact CB-CD1 3.33Å; A19-L276 HydrophobicContact CB-CD2 3.36Å; A19-L276 HydrophobicContact CB-CG 3.49Å; A19-L276 VanDerWaalsContact CB-CG 3.49Å; V272-L276 HydrophobicContact CG1-CB 3.68Å; P273-L276 HydrophobicContact CG-CD1 4.46Å; P273-L276 PolarHBondContact O-N 3Å; Q274-L276 PolarHBondContact O-N 3.22Å; L276-T278 VanDerWaalsContact C-N 3.26Å; L276-T278 PolarHBondContact O-N 2.84Å; L276-A279 PolarHBondContact O-N 3.25Å; L276-A279 VanDerWaalsContact O-N 3.15Å; L276-V280 WeakPolarHBondContact O-CG2 3.44Å; L276-V280 PolarHBondContact O-N 2.98Å |
| 277 | R | 90.9 | Very high | 87.1 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -42.3 | -176.1 | -68.1 | -178.2 | -174 | 173.8 | 6.2 | 111.5 | V272 P273 Q274 A279 V280 L281 W304 D310 | V272-R277 HydrophobicContact CG1-CG 4.48Å; P273-R277 PolarHBondContact O-N 3.32Å; Q274-R277 PolarHBondContact O-N 2.99Å; Q274-R277 VanDerWaalsContact O-N 3.16Å; R277-A279 PolarHBondContact O-N 3.4Å; R277-V280 PolarHBondContact O-N 3.19Å; R277-L281 WeakPolarHBondContact O-CB 3.15Å; R277-L281 WeakPolarHBondContact O-CG 3.39Å; R277-L281 PolarHBondContact O-N 2.87Å; R277-W304 HydrophobicContact CB-CZ2 4.23Å; R277-W304 HydrophobicContact CG-CD2 4.08Å; R277-W304 HydrophobicContact CG-CE3 4.42Å; R277-W304 HydrophobicContact CG-CG 4.46Å; R277-W304 HydrophobicContact CG-CH2 4.38Å; R277-W304 HydrophobicContact CG-CZ2 4.12Å; R277-D310 IonicContact NH1-OD2 3.5Å |
| 278 | T | 90.3 | Very high | 87 | Confident | 90 Ų | 90 | 47.6 Ų | 47.6 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 178 | -47.4 | 0 | 0 | 0 | 0 | 112.3 | L276 V280 L281 Q282 | L276-T278 VanDerWaalsContact C-N 3.26Å; L276-T278 PolarHBondContact O-N 2.84Å; T278-V280 PolarHBondContact O-N 3.46Å; T278-L281 PolarHBondContact O-N 3.34Å; T278-Q282 WeakPolarHBondContact O-CG 3.06Å; T278-Q282 PolarHBondContact O-N 3Å |
| 279 | A | 89.6 | Confident | 87.1 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 28% | 0.281 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L276 R277 Q282 L283 | L276-A279 PolarHBondContact O-N 3.25Å; L276-A279 VanDerWaalsContact O-N 3.15Å; R277-A279 PolarHBondContact O-N 3.4Å; A279-Q282 PolarHBondContact O-N 3.22Å; A279-L283 PolarHBondContact O-N 3.49Å |
| 280 | V | 90.3 | Very high | 87 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 175.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | I12 L15 V272 L276 R277 T278 L283 L284 I302 W304 | I12-V280 HydrophobicContact CD1-CG1 4.45Å; I12-V280 HydrophobicContact CG1-CG1 4.31Å; L15-V280 HydrophobicContact CD1-CG2 4.41Å; V272-V280 HydrophobicContact CG1-CG2 3.93Å; L276-V280 WeakPolarHBondContact O-CG2 3.44Å; L276-V280 PolarHBondContact O-N 2.98Å; R277-V280 PolarHBondContact O-N 3.19Å; T278-V280 PolarHBondContact O-N 3.46Å; V280-L283 WeakPolarHBondContact O-CB 3.29Å; V280-L283 PolarHBondContact O-N 3.29Å; V280-L284 HydrophobicContact CG1-CD1 4.24Å; V280-L284 HydrophobicContact CG1-CG 4.38Å; V280-L284 WeakPolarHBondContact O-CG 3.34Å; V280-L284 PolarHBondContact O-N 3.01Å; V280-I302 HydrophobicContact CG1-CG2 3.98Å; V280-W304 HydrophobicContact CB-CH2 4.18Å; V280-W304 HydrophobicContact CB-CZ3 4.49Å; V280-W304 HydrophobicContact CG1-CH2 3.81Å; V280-W304 HydrophobicContact CG1-CZ3 4.05Å |
| 281 | L | 91.7 | Very high | 87.1 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 175.4 | -72.7 | 165.5 | 0 | 0 | 0 | 111.7 | R277 T278 L283 L284 H285 W304 D310 I311 A314 | R277-L281 WeakPolarHBondContact O-CB 3.15Å; R277-L281 WeakPolarHBondContact O-CG 3.39Å; R277-L281 PolarHBondContact O-N 2.87Å; T278-L281 PolarHBondContact O-N 3.34Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L284 PolarHBondContact O-N 2.79Å; L281-H285 WeakPolarHBondContact O-CB 3.48Å; L281-H285 PolarHBondContact O-N 3.44Å; L281-W304 HydrophobicContact CD2-CZ2 4.5Å; L281-D310 HydrophobicContact CD1-CB 4.27Å; L281-I311 HydrophobicContact CD2-CB 4.38Å; L281-I311 HydrophobicContact CD2-CG1 3.63Å; L281-A314 HydrophobicContact CB-CB 4.41Å; L281-A314 HydrophobicContact CD1-CB 4.22Å; L281-A314 HydrophobicContact CD2-CB 4.28Å |
| 282 | Q | 89.2 | Confident | 87.3 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 172.7 | -72.8 | 173.8 | -10.9 | 0 | 0 | 111.6 | T278 A279 H285 A286 Y318 | T278-Q282 WeakPolarHBondContact O-CG 3.06Å; T278-Q282 PolarHBondContact O-N 3Å; A279-Q282 PolarHBondContact O-N 3.22Å; Q282-H285 CarbonylContact O-C 3.32Å; Q282-H285 PolarHBondContact O-N 2.89Å; Q282-A286 PolarHBondContact O-N 3.24Å; Q282-Y318 WeakPolarHBondContact CG-OH 2.89Å |
| 283 | L | 88.7 | Confident | 87.5 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.5 | -177.2 | 72.3 | 0 | 0 | 0 | 111.9 | I3 F11 I12 L15 A279 V280 L281 H285 A286 | I3-L283 HydrophobicContact CD1-CD1 3.46Å; I3-L283 VanDerWaalsContact CD1-CD1 3.46Å; F11-L283 HydrophobicContact CB-CD1 4.31Å; F11-L283 HydrophobicContact CB-CD2 3.68Å; I12-L283 HydrophobicContact CG1-CD2 3.88Å; L15-L283 HydrophobicContact CD1-CD2 3.92Å; A279-L283 PolarHBondContact O-N 3.49Å; V280-L283 WeakPolarHBondContact O-CB 3.29Å; V280-L283 PolarHBondContact O-N 3.29Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L283-H285 PolarHBondContact O-N 3.47Å; L283-A286 WeakPolarHBondContact O-CB 3.3Å; L283-A286 PolarHBondContact O-N 2.99Å; L283-A286 VanDerWaalsContact O-N 3.11Å |
| 284 | L | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -30.5 | 175.9 | -71.5 | 173.8 | 0 | 0 | 0 | 112.2 | V280 L281 A286 P289 M294 I297 A298 I302 | V280-L284 HydrophobicContact CG1-CD1 4.24Å; V280-L284 HydrophobicContact CG1-CG 4.38Å; V280-L284 WeakPolarHBondContact O-CG 3.34Å; V280-L284 PolarHBondContact O-N 3.01Å; L281-L284 PolarHBondContact O-N 2.79Å; L284-A286 VanDerWaalsContact C-N 3.29Å; L284-P289 VanDerWaalsContact O-CG 3.23Å; L284-P289 WeakPolarHBondContact O-CG 3.24Å; L284-M294 HydrophobicContact CB-CE 4.13Å; L284-I297 HydrophobicContact CD2-CB 4.04Å; L284-I297 HydrophobicContact CD2-CG2 3.43Å; L284-I297 VanDerWaalsContact CD2-CG2 3.43Å; L284-A298 HydrophobicContact CD1-CB 4.07Å; L284-I302 HydrophobicContact CD1-CD1 4.21Å |
| 285 | H | 88.6 | Confident | 88.3 | Confident | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.069 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -80.3 | -10.2 | 175.7 | -164.1 | 67.9 | 0 | 0 | 0 | 112.9 | L281 Q282 L283 G287 H288 M294 Y318 C321 | L281-H285 WeakPolarHBondContact O-CB 3.48Å; L281-H285 PolarHBondContact O-N 3.44Å; Q282-H285 CarbonylContact O-C 3.32Å; Q282-H285 PolarHBondContact O-N 2.89Å; L283-H285 PolarHBondContact O-N 3.47Å; H285-G287 PolarHBondContact O-N 3.34Å; H285-G287 VanDerWaalsContact O-N 3.14Å; H285-H288 AromaticContact CD2-ND1 3.72Å; H285-H288 AromaticContact CE1-ND1 3.83Å; H285-H288 AromaticContact NE2-CE1 3.7Å; H285-H288 AromaticContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact O-N 3.43Å; H285-M294 HydrophobicContact CB-CE 3.87Å; H285-Y318 HydrophobicContact CB-CE2 4.05Å; H285-Y318 AromaticContact CD2-CD2 3.79Å; H285-Y318 AromaticContact CD2-CE2 3.94Å; H285-Y318 AromaticContact CD2-CG 3.91Å; H285-Y318 AromaticContact CE1-CD2 3.69Å; H285-Y318 AromaticContact CE1-CG 3.96Å; H285-Y318 AromaticContact CG-CD2 3.79Å; H285-Y318 AromaticContact CG-CE2 3.74Å; H285-Y318 AromaticContact ND1-CD2 3.75Å; H285-Y318 AromaticContact NE2-CD2 3.75Å; H285-Y318 AromaticContact NE2-CG 3.65Å; H285-C321 PolarHBondContact CE1-SG 2.63Å; H285-C321 PolarHBondContact NE2-SG 3.38Å |
| 286 | A | 83.8 | Confident | 88.6 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 119.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I3 Q282 L283 L284 | I3-A286 HydrophobicContact CD1-CB 4.04Å; Q282-A286 PolarHBondContact O-N 3.24Å; L283-A286 WeakPolarHBondContact O-CB 3.3Å; L283-A286 PolarHBondContact O-N 2.99Å; L283-A286 VanDerWaalsContact O-N 3.11Å; L284-A286 VanDerWaalsContact C-N 3.29Å |
| 287 | G | 80.2 | Confident | 88.8 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | 9.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H285 | H285-G287 PolarHBondContact O-N 3.34Å; H285-G287 VanDerWaalsContact O-N 3.14Å |
| 288 | H | 82.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 53 Ų | 53 | 55% | 0.546 | 29% | 0.287 | S | S | . | . | trans | 49.5 | 47.1 | 176.1 | -55 | -68.5 | 0 | 0 | 0 | 115.1 | H285 C321 | H285-H288 AromaticContact CD2-ND1 3.72Å; H285-H288 AromaticContact CE1-ND1 3.83Å; H285-H288 AromaticContact NE2-CE1 3.7Å; H285-H288 AromaticContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact O-N 3.43Å; H288-C321 PolarHBondContact ND1-SG 3.24Å | ||
| 289 | P | 85.4 | Confident | 88.9 | Confident | 29 Ų | 29 | 54 Ų | 54 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | trans | -64.5 | 146.9 | 172.5 | 27.4 | -32.1 | 0 | 0 | 0 | 111 | L284 R293 M294 | L284-P289 VanDerWaalsContact O-CG 3.23Å; L284-P289 WeakPolarHBondContact O-CG 3.24Å; P289-R293 HydrophobicContact CB-CB 4.03Å; P289-R293 HydrophobicContact CB-CG 3.9Å; P289-M294 HydrophobicContact CB-CG 4.2Å; P289-M294 HydrophobicContact CG-CG 3.6Å; P289-M294 HydrophobicContact CG-SD 4.41Å | ||
| 290 | R | 86.7 | Confident | 88.9 | Confident | 157 Ų | 157 | 54.6 Ų | 54.6 | 59% | 0.592 | 28% | 0.284 | S | S | * | . | trans | -61.2 | 157.3 | 171.8 | -67.9 | -173 | 178 | -146.6 | 1.4 | 111.3 | V292 R293 M294 H326 | R290-V292 VanDerWaalsContact C-N 3.27Å; R290-V292 PolarHBondContact O-N 3.32Å; R290-V292 VanDerWaalsContact O-N 3.15Å; R290-R293 WeakPolarHBondContact O-CA 3.38Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 2.75Å; R290-M294 PolarHBondContact O-N 3.27Å; R290-H326 PolarHBondContact NH1-CD2 3.34Å; R290-H326 PolarHBondContact NH2-CD2 2.91Å; R290-H326 PolarHBondContact NH2-NE2 2.94Å | ||
| 291 | I | 90.2 | Very high | 88.8 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 29% | 0.292 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -52.9 | -40.5 | -176.5 | -168.6 | 166.4 | 0 | 0 | 0 | 113.9 | R293 M294 K295 I311 E312 V315 | I291-R293 VanDerWaalsContact C-N 3.29Å; I291-R293 PolarHBondContact O-N 2.99Å; I291-M294 PolarHBondContact O-N 2.92Å; I291-K295 HydrophobicContact CG1-CD 4.43Å; I291-K295 HydrophobicContact CG1-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CG 3.49Å; I291-K295 PolarHBondContact O-N 3.36Å; I291-I311 HydrophobicContact CG1-CG2 4.24Å; I291-E312 HydrophobicContact CD1-CB 4.3Å; I291-E312 HydrophobicContact CD1-CG 3.66Å; I291-V315 HydrophobicContact CB-CG2 4.47Å; I291-V315 HydrophobicContact CD1-CB 4.48Å; I291-V315 HydrophobicContact CG1-CG2 4.35Å |
| 292 | V | 91.3 | Very high | 88.8 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 70% | 0.703 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 177.7 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | R290 S296 | R290-V292 VanDerWaalsContact C-N 3.27Å; R290-V292 PolarHBondContact O-N 3.32Å; R290-V292 VanDerWaalsContact O-N 3.15Å; V292-S296 WeakPolarHBondContact O-CB 3.5Å; V292-S296 PolarHBondContact O-N 2.91Å |
| 293 | R | 90 | Very high | 88.7 | Confident | 132 Ų | 132 | 52.5 Ų | 52.5 | 50% | 0.498 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.5 | -40.7 | 178.2 | -177.2 | 57.1 | 172.2 | 174.1 | -3.6 | 111.4 | P289 R290 I291 S296 I297 | P289-R293 HydrophobicContact CB-CB 4.03Å; P289-R293 HydrophobicContact CB-CG 3.9Å; R290-R293 WeakPolarHBondContact O-CA 3.38Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 2.75Å; I291-R293 VanDerWaalsContact C-N 3.29Å; I291-R293 PolarHBondContact O-N 2.99Å; R293-S296 PolarHBondContact O-N 3.18Å; R293-I297 HydrophobicContact CG-CD1 4.08Å; R293-I297 WeakPolarHBondContact O-CG1 3.01Å; R293-I297 PolarHBondContact O-N 3.18Å |
| 294 | M | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 174.1 | -70.6 | -179.5 | 68.9 | 0 | 0 | 111.6 | L284 H285 P289 R290 I291 S296 I297 A298 I311 V315 | L284-M294 HydrophobicContact CB-CE 4.13Å; H285-M294 HydrophobicContact CB-CE 3.87Å; P289-M294 HydrophobicContact CB-CG 4.2Å; P289-M294 HydrophobicContact CG-CG 3.6Å; P289-M294 HydrophobicContact CG-SD 4.41Å; R290-M294 PolarHBondContact O-N 3.27Å; I291-M294 PolarHBondContact O-N 2.92Å; M294-S296 VanDerWaalsContact C-N 3.35Å; M294-S296 PolarHBondContact O-N 3.03Å; M294-I297 PolarHBondContact O-N 2.77Å; M294-A298 VanDerWaalsContact O-CB 3.28Å; M294-A298 WeakPolarHBondContact O-CB 3.45Å; M294-A298 PolarHBondContact O-N 3.31Å; M294-I311 HydrophobicContact CB-CG2 3.96Å; M294-I311 HydrophobicContact CE-CG2 4.34Å; M294-V315 HydrophobicContact CE-CG2 4.02Å; M294-V315 HydrophobicContact SD-CG2 3.54Å; M294-V315 VanDerWaalsContact SD-CG2 3.54Å |
| 295 | K | 93.4 | Very high | 88.4 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.4 | -72.4 | -177.7 | 177.2 | -176.6 | 0 | 112.4 | I291 A298 R299 I311 E312 | I291-K295 HydrophobicContact CG1-CD 4.43Å; I291-K295 HydrophobicContact CG1-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CG 3.49Å; I291-K295 PolarHBondContact O-N 3.36Å; K295-A298 WeakPolarHBondContact O-CB 3.28Å; K295-A298 PolarHBondContact O-N 3.39Å; K295-R299 WeakPolarHBondContact O-CB 3.44Å; K295-R299 VanDerWaalsContact O-CG 3.24Å; K295-R299 WeakPolarHBondContact O-CG 3.19Å; K295-R299 PolarHBondContact O-N 3.2Å; K295-I311 HydrophobicContact CG-CD1 4.27Å; K295-I311 HydrophobicContact CG-CG2 4.06Å; K295-E312 IonicContact NZ-OE1 2.63Å; K295-E312 PolarHBondContact NZ-OE1 2.84Å |
| 296 | S | 91.4 | Very high | 88.3 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 43% | 0.427 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 176 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | V292 R293 M294 A298 R299 S300 | V292-S296 WeakPolarHBondContact O-CB 3.5Å; V292-S296 PolarHBondContact O-N 2.91Å; R293-S296 PolarHBondContact O-N 3.18Å; M294-S296 VanDerWaalsContact C-N 3.35Å; M294-S296 PolarHBondContact O-N 3.03Å; S296-A298 VanDerWaalsContact C-N 3.31Å; S296-A298 PolarHBondContact O-N 3.35Å; S296-R299 PolarHBondContact O-N 3.12Å; S296-S300 PolarHBondContact O-N 2.83Å |
| 297 | I | 90.1 | Very high | 88.7 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.6 | -63 | 168 | 0 | 0 | 0 | 110.7 | H8 L284 R293 M294 S300 Y301 | H8-I297 HydrophobicContact CB-CG2 4.32Å; L284-I297 HydrophobicContact CD2-CB 4.04Å; L284-I297 HydrophobicContact CD2-CG2 3.43Å; L284-I297 VanDerWaalsContact CD2-CG2 3.43Å; R293-I297 HydrophobicContact CG-CD1 4.08Å; R293-I297 WeakPolarHBondContact O-CG1 3.01Å; R293-I297 PolarHBondContact O-N 3.18Å; M294-I297 PolarHBondContact O-N 2.77Å; I297-S300 PolarHBondContact O-N 2.93Å; I297-S300 PolarHBondContact O-OG 3.06Å; I297-Y301 HydrophobicContact CG2-CD2 3.92Å; I297-Y301 HydrophobicContact CG2-CE2 4.11Å; I297-Y301 VanDerWaalsContact O-CD2 3.29Å; I297-Y301 WeakPolarHBondContact O-CD2 3.35Å; I297-Y301 PolarHBondContact O-N 3.23Å |
| 298 | A | 91.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -54.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L284 M294 K295 S296 S300 Y301 I302 I311 | L284-A298 HydrophobicContact CD1-CB 4.07Å; M294-A298 VanDerWaalsContact O-CB 3.28Å; M294-A298 WeakPolarHBondContact O-CB 3.45Å; M294-A298 PolarHBondContact O-N 3.31Å; K295-A298 WeakPolarHBondContact O-CB 3.28Å; K295-A298 PolarHBondContact O-N 3.39Å; S296-A298 VanDerWaalsContact C-N 3.31Å; S296-A298 PolarHBondContact O-N 3.35Å; A298-S300 PolarHBondContact O-N 3Å; A298-S300 VanDerWaalsContact O-N 3.08Å; A298-Y301 PolarHBondContact O-N 3.33Å; A298-I302 HydrophobicContact CB-CD1 3.58Å; A298-I302 HydrophobicContact CB-CG1 3.73Å; A298-I302 WeakPolarHBondContact O-CG1 3.36Å; A298-I302 PolarHBondContact O-N 3.41Å; A298-I311 HydrophobicContact CB-CD1 3.36Å |
| 299 | R | 91.2 | Very high | 89.7 | Confident | 112 Ų | 112 | 61 Ų | 61 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -21 | -178.8 | -69.2 | 170 | -175.5 | -176.3 | -6.3 | 113.3 | R269 K295 S296 D308 | R269-R299 PolarHBondContact NE-O 2.86Å; R269-R299 PolarHBondContact NH2-O 3.43Å; K295-R299 WeakPolarHBondContact O-CB 3.44Å; K295-R299 VanDerWaalsContact O-CG 3.24Å; K295-R299 WeakPolarHBondContact O-CG 3.19Å; K295-R299 PolarHBondContact O-N 3.2Å; S296-R299 PolarHBondContact O-N 3.12Å; R299-D308 IonicContact CZ-OD1 2.84Å; R299-D308 IonicContact CZ-OD2 3.49Å; R299-D308 IonicContact NE-OD1 3.27Å; R299-D308 PolarHBondContact NE-OD1 3.31Å; R299-D308 IonicContact NE-OD2 2.64Å; R299-D308 PolarHBondContact NE-OD2 3.42Å; R299-D308 IonicContact NH2-OD1 2.8Å; R299-D308 IonicContact NH2-OD2 2.72Å; R299-D308 PolarHBondContact NH2-OD2 2.89Å |
| 300 | S | 88.9 | Confident | 90.1 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -79.6 | -27.5 | 174.1 | 60 | 0 | 0 | 0 | 0 | 114 | S296 I297 A298 | S296-S300 PolarHBondContact O-N 2.83Å; I297-S300 PolarHBondContact O-N 2.93Å; I297-S300 PolarHBondContact O-OG 3.06Å; A298-S300 PolarHBondContact O-N 3Å; A298-S300 VanDerWaalsContact O-N 3.08Å |
| 301 | Y | 88.9 | Confident | 90.4 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -127.5 | -23.7 | -167 | -59.7 | -54.2 | 0 | 0 | 0 | 116 | S5 H8 R9 R269 I270 I297 A298 | S5-Y301 PolarHBondContact O-OH 3.03Å; H8-Y301 HydrophobicContact CB-CD2 3.9Å; H8-Y301 HydrophobicContact CB-CE2 3.85Å; R9-Y301 HydrophobicContact CB-CD1 3.69Å; R9-Y301 HydrophobicContact CB-CE1 3.75Å; R9-Y301 HydrophobicContact CB-CG 4.35Å; R9-Y301 HydrophobicContact CG-CD1 4.06Å; R9-Y301 HydrophobicContact CG-CE1 4.4Å; R269-Y301 WeakPolarHBondContact CA-O 3.32Å; I270-Y301 PolarHBondContact N-O 3.33Å; I297-Y301 HydrophobicContact CG2-CD2 3.92Å; I297-Y301 HydrophobicContact CG2-CE2 4.11Å; I297-Y301 VanDerWaalsContact O-CD2 3.29Å; I297-Y301 WeakPolarHBondContact O-CD2 3.35Å; I297-Y301 PolarHBondContact O-N 3.23Å; A298-Y301 PolarHBondContact O-N 3.33Å |
| 302 | I | 90.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.6 | -172.4 | 60.1 | 160 | 0 | 0 | 0 | 112.1 | I12 V272 V280 L284 A298 W304 A307 | I12-I302 HydrophobicContact CD1-CG2 3.82Å; I12-I302 HydrophobicContact CG2-CG2 4.35Å; V272-I302 HydrophobicContact CG2-CB 4.37Å; V272-I302 HydrophobicContact CG2-CG2 4.05Å; V280-I302 HydrophobicContact CG1-CG2 3.98Å; L284-I302 HydrophobicContact CD1-CD1 4.21Å; A298-I302 HydrophobicContact CB-CD1 3.58Å; A298-I302 HydrophobicContact CB-CG1 3.73Å; A298-I302 WeakPolarHBondContact O-CG1 3.36Å; A298-I302 PolarHBondContact O-N 3.41Å; I302-W304 HydrophobicContact CB-CE3 3.83Å; I302-W304 HydrophobicContact CB-CH2 4.34Å; I302-W304 HydrophobicContact CB-CZ3 3.52Å; I302-W304 HydrophobicContact CD1-CD2 4.23Å; I302-W304 HydrophobicContact CD1-CE3 3.74Å; I302-W304 HydrophobicContact CD1-CH2 3.12Å; I302-W304 HydrophobicContact CD1-CZ2 3.6Å; I302-W304 HydrophobicContact CD1-CZ3 3.19Å; I302-W304 HydrophobicContact CG1-CE3 4.26Å; I302-W304 HydrophobicContact CG1-CH2 4.29Å; I302-W304 HydrophobicContact CG1-CZ3 3.91Å; I302-W304 HydrophobicContact CG2-CE3 4.49Å; I302-W304 HydrophobicContact CG2-CH2 4.47Å; I302-W304 HydrophobicContact CG2-CZ3 3.76Å; I302-A307 HydrophobicContact CD1-CB 4.3Å |
| 303 | L | 87.9 | Confident | 90.5 | Very high | 34 Ų | 34 | 54.4 Ų | 54.4 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 114.5 | 175.9 | 178.8 | 67 | 0 | 0 | 0 | 109.7 | R266 R269 I270 A271 V272 | R266-L303 HydrophobicContact CB-CD2 3.74Å; R266-L303 HydrophobicContact CG-CD2 4.47Å; R269-L303 HydrophobicContact CB-CB 3.97Å; I270-L303 PolarHBondContact O-N 2.98Å; A271-L303 WeakPolarHBondContact CA-O 3.33Å; V272-L303 PolarHBondContact N-O 3.01Å |
| 304 | W | 87.6 | Confident | 90.5 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | trans | -161.1 | 161.4 | 166.5 | 67.3 | 80 | 0 | 0 | 0 | 111.7 | V272 R277 V280 L281 I302 R306 A307 D310 | V272-W304 HydrophobicContact CB-CE3 3.52Å; V272-W304 HydrophobicContact CB-CZ3 3.59Å; V272-W304 HydrophobicContact CG1-CE3 4.35Å; V272-W304 HydrophobicContact CG1-CZ3 4.05Å; V272-W304 HydrophobicContact CG2-CE3 3.8Å; V272-W304 HydrophobicContact CG2-CZ3 3.58Å; R277-W304 HydrophobicContact CB-CZ2 4.23Å; R277-W304 HydrophobicContact CG-CD2 4.08Å; R277-W304 HydrophobicContact CG-CE3 4.42Å; R277-W304 HydrophobicContact CG-CG 4.46Å; R277-W304 HydrophobicContact CG-CH2 4.38Å; R277-W304 HydrophobicContact CG-CZ2 4.12Å; V280-W304 HydrophobicContact CB-CH2 4.18Å; V280-W304 HydrophobicContact CB-CZ3 4.49Å; V280-W304 HydrophobicContact CG1-CH2 3.81Å; V280-W304 HydrophobicContact CG1-CZ3 4.05Å; L281-W304 HydrophobicContact CD2-CZ2 4.5Å; I302-W304 HydrophobicContact CB-CE3 3.83Å; I302-W304 HydrophobicContact CB-CH2 4.34Å; I302-W304 HydrophobicContact CB-CZ3 3.52Å; I302-W304 HydrophobicContact CD1-CD2 4.23Å; I302-W304 HydrophobicContact CD1-CE3 3.74Å; I302-W304 HydrophobicContact CD1-CH2 3.12Å; I302-W304 HydrophobicContact CD1-CZ2 3.6Å; I302-W304 HydrophobicContact CD1-CZ3 3.19Å; I302-W304 HydrophobicContact CG1-CE3 4.26Å; I302-W304 HydrophobicContact CG1-CH2 4.29Å; I302-W304 HydrophobicContact CG1-CZ3 3.91Å; I302-W304 HydrophobicContact CG2-CE3 4.49Å; I302-W304 HydrophobicContact CG2-CH2 4.47Å; I302-W304 HydrophobicContact CG2-CZ3 3.76Å; W304-R306 PolarHBondContact O-N 3.18Å; W304-A307 HydrophobicContact CD2-CB 4.05Å; W304-A307 HydrophobicContact CG-CB 4.09Å; W304-A307 HydrophobicContact CZ2-CB 4.39Å; W304-A307 VanDerWaalsContact NE1-CA 3.33Å; W304-A307 PolarHBondContact O-N 3.43Å; W304-D310 PolarHBondContact NE1-OD2 3.33Å | ||
| 305 | P | 84.3 | Confident | 90.3 | Very high | 42 Ų | 42 | 50 Ų | 50 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 128.6 | 179 | -9.4 | 15.2 | 0 | 0 | 0 | 112 | P221 A307 | P221-P305 HydrophobicContact CB-CG 4Å; P221-P305 HydrophobicContact CG-CB 3.55Å; P221-P305 HydrophobicContact CG-CG 3.52Å; P305-A307 VanDerWaalsContact C-N 3.27Å; P305-A307 PolarHBondContact O-N 2.93Å |
| 306 | R | 87.2 | Confident | 90 | Very high | 188 Ų | 188 | 54.5 Ų | 54.5 | 71% | 0.709 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 30.2 | 174.7 | -53.4 | 176.9 | 176.5 | 175.9 | -0.1 | 114.1 | W304 D308 K309 D310 | W304-R306 PolarHBondContact O-N 3.18Å; R306-D308 PolarHBondContact O-N 3.34Å; R306-K309 HydrophobicContact CB-CB 4.24Å; R306-K309 HydrophobicContact CB-CD 4.42Å; R306-K309 HydrophobicContact CB-CG 4.45Å; R306-K309 WeakPolarHBondContact O-CB 3.5Å; R306-K309 PolarHBondContact O-N 2.76Å; R306-D310 PolarHBondContact O-N 3.38Å |
| 307 | A | 90.7 | Very high | 89.7 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.8 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I302 W304 P305 K309 D310 I311 | I302-A307 HydrophobicContact CD1-CB 4.3Å; W304-A307 HydrophobicContact CD2-CB 4.05Å; W304-A307 HydrophobicContact CG-CB 4.09Å; W304-A307 HydrophobicContact CZ2-CB 4.39Å; W304-A307 VanDerWaalsContact NE1-CA 3.33Å; W304-A307 PolarHBondContact O-N 3.43Å; P305-A307 VanDerWaalsContact C-N 3.27Å; P305-A307 PolarHBondContact O-N 2.93Å; A307-K309 VanDerWaalsContact C-N 3.32Å; A307-K309 PolarHBondContact O-N 3.11Å; A307-D310 PolarHBondContact O-N 3.25Å; A307-I311 WeakPolarHBondContact O-CD1 3.4Å; A307-I311 VanDerWaalsContact O-CG1 3.24Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 3.41Å |
| 308 | D | 92.6 | Very high | 89.3 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 176.8 | -73.5 | -23.7 | 0 | 0 | 0 | 113 | R299 R306 I311 E312 | R299-D308 IonicContact CZ-OD1 2.84Å; R299-D308 IonicContact CZ-OD2 3.49Å; R299-D308 IonicContact NE-OD1 3.27Å; R299-D308 PolarHBondContact NE-OD1 3.31Å; R299-D308 IonicContact NE-OD2 2.64Å; R299-D308 PolarHBondContact NE-OD2 3.42Å; R299-D308 IonicContact NH2-OD1 2.8Å; R299-D308 IonicContact NH2-OD2 2.72Å; R299-D308 PolarHBondContact NH2-OD2 2.89Å; R306-D308 PolarHBondContact O-N 3.34Å; D308-I311 PolarHBondContact O-N 2.66Å; D308-E312 WeakPolarHBondContact O-CG 3.46Å; D308-E312 PolarHBondContact O-N 3.5Å |
| 309 | K | 92.5 | Very high | 88.1 | Confident | 119 Ų | 119 | 65 Ų | 65 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 176.8 | -65 | -169 | 174.7 | -169.6 | 0 | 111.4 | R306 A307 I311 E312 Q313 | R306-K309 HydrophobicContact CB-CB 4.24Å; R306-K309 HydrophobicContact CB-CD 4.42Å; R306-K309 HydrophobicContact CB-CG 4.45Å; R306-K309 WeakPolarHBondContact O-CB 3.5Å; R306-K309 PolarHBondContact O-N 2.76Å; A307-K309 VanDerWaalsContact C-N 3.32Å; A307-K309 PolarHBondContact O-N 3.11Å; K309-I311 PolarHBondContact O-N 3.4Å; K309-E312 WeakPolarHBondContact O-CB 3.48Å; K309-E312 PolarHBondContact O-N 2.9Å; K309-Q313 WeakPolarHBondContact O-CG 3.42Å; K309-Q313 PolarHBondContact O-N 3.24Å |
| 310 | D | 92.8 | Very high | 87.2 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 175.5 | -66.2 | -4.4 | 0 | 0 | 0 | 110.6 | R277 L281 W304 R306 A307 A314 | R277-D310 IonicContact NH1-OD2 3.5Å; L281-D310 HydrophobicContact CD1-CB 4.27Å; W304-D310 PolarHBondContact NE1-OD2 3.33Å; R306-D310 PolarHBondContact O-N 3.38Å; A307-D310 PolarHBondContact O-N 3.25Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.43Å; D310-A314 PolarHBondContact O-N 2.8Å |
| 311 | I | 92.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 174.7 | -67.7 | 163.3 | 0 | 0 | 0 | 111.3 | L281 I291 M294 K295 A298 A307 D308 K309 A314 V315 | L281-I311 HydrophobicContact CD2-CB 4.38Å; L281-I311 HydrophobicContact CD2-CG1 3.63Å; I291-I311 HydrophobicContact CG1-CG2 4.24Å; M294-I311 HydrophobicContact CB-CG2 3.96Å; M294-I311 HydrophobicContact CE-CG2 4.34Å; K295-I311 HydrophobicContact CG-CD1 4.27Å; K295-I311 HydrophobicContact CG-CG2 4.06Å; A298-I311 HydrophobicContact CB-CD1 3.36Å; A307-I311 WeakPolarHBondContact O-CD1 3.4Å; A307-I311 VanDerWaalsContact O-CG1 3.24Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 3.41Å; D308-I311 PolarHBondContact O-N 2.66Å; K309-I311 PolarHBondContact O-N 3.4Å; I311-A314 PolarHBondContact O-N 3.25Å; I311-V315 HydrophobicContact CG2-CG2 4.44Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.46Å; I311-V315 PolarHBondContact O-N 3.15Å |
| 312 | E | 92.5 | Very high | 85.6 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -49.3 | 176.1 | -75.4 | 165.3 | -172 | 0 | 0 | 111.8 | I291 K295 D308 K309 A314 V315 Q316 | I291-E312 HydrophobicContact CD1-CB 4.3Å; I291-E312 HydrophobicContact CD1-CG 3.66Å; K295-E312 IonicContact NZ-OE1 2.63Å; K295-E312 PolarHBondContact NZ-OE1 2.84Å; D308-E312 WeakPolarHBondContact O-CG 3.46Å; D308-E312 PolarHBondContact O-N 3.5Å; K309-E312 WeakPolarHBondContact O-CB 3.48Å; K309-E312 PolarHBondContact O-N 2.9Å; E312-A314 PolarHBondContact O-N 2.91Å; E312-V315 PolarHBondContact O-N 2.91Å; E312-Q316 WeakPolarHBondContact O-CG 3.44Å; E312-Q316 PolarHBondContact O-N 3Å |
| 313 | Q | 92 | Very high | 84.8 | Confident | 114 Ų | 114 | 73.4 Ų | 73.4 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 178.6 | -72.4 | -178.9 | -7.7 | 0 | 0 | 111.9 | K309 Q316 Q317 | K309-Q313 WeakPolarHBondContact O-CG 3.42Å; K309-Q313 PolarHBondContact O-N 3.24Å; Q313-Q316 PolarHBondContact O-N 2.96Å; Q313-Q317 WeakPolarHBondContact O-CG 3.24Å; Q313-Q317 PolarHBondContact O-N 3.31Å; Q313-Q317 VanDerWaalsContact O-N 3.11Å |
| 314 | A | 89.5 | Confident | 84.1 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 7% | 0.066 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L281 D310 I311 E312 Q316 Q317 Y318 | L281-A314 HydrophobicContact CB-CB 4.41Å; L281-A314 HydrophobicContact CD1-CB 4.22Å; L281-A314 HydrophobicContact CD2-CB 4.28Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.43Å; D310-A314 PolarHBondContact O-N 2.8Å; I311-A314 PolarHBondContact O-N 3.25Å; E312-A314 PolarHBondContact O-N 2.91Å; A314-Q316 VanDerWaalsContact C-N 3.29Å; A314-Q316 PolarHBondContact O-N 3.09Å; A314-Q317 PolarHBondContact O-N 3.32Å; A314-Q317 VanDerWaalsContact O-N 3.1Å; A314-Y318 HydrophobicContact CB-CE2 4.01Å; A314-Y318 WeakPolarHBondContact O-CD2 3.43Å; A314-Y318 WeakPolarHBondContact O-CE2 3.44Å; A314-Y318 PolarHBondContact O-N 2.89Å |
| 315 | V | 88.2 | Confident | 83.2 | Confident | 32 Ų | 32 | 79.6 Ų | 79.6 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | I291 M294 I311 E312 Q317 Y318 | I291-V315 HydrophobicContact CB-CG2 4.47Å; I291-V315 HydrophobicContact CD1-CB 4.48Å; I291-V315 HydrophobicContact CG1-CG2 4.35Å; M294-V315 HydrophobicContact CE-CG2 4.02Å; M294-V315 HydrophobicContact SD-CG2 3.54Å; M294-V315 VanDerWaalsContact SD-CG2 3.54Å; I311-V315 HydrophobicContact CG2-CG2 4.44Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.46Å; I311-V315 PolarHBondContact O-N 3.15Å; E312-V315 PolarHBondContact O-N 2.91Å; V315-Q317 VanDerWaalsContact C-N 3.29Å; V315-Q317 PolarHBondContact O-N 3.19Å; V315-Y318 PolarHBondContact O-N 2.91Å |
| 316 | Q | 85.8 | Confident | 82.4 | Confident | 134 Ų | 134 | 84.8 Ų | 84.8 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.8 | -28.4 | 175.2 | -73.2 | 173.9 | 1 | 0 | 0 | 113.2 | E312 Q313 A314 Q322 | E312-Q316 WeakPolarHBondContact O-CG 3.44Å; E312-Q316 PolarHBondContact O-N 3Å; Q313-Q316 PolarHBondContact O-N 2.96Å; A314-Q316 VanDerWaalsContact C-N 3.29Å; A314-Q316 PolarHBondContact O-N 3.09Å; Q316-Q322 PolarHBondContact O-NE2 3.04Å |
| 317 | Q | 85.7 | Confident | 81.6 | Confident | 162 Ų | 162 | 82.7 Ų | 82.7 | 76% | 0.757 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -81.7 | -22.7 | 178 | -71 | 174.5 | -14 | 0 | 0 | 113.3 | Q313 A314 V315 S319 | Q313-Q317 WeakPolarHBondContact O-CG 3.24Å; Q313-Q317 PolarHBondContact O-N 3.31Å; Q313-Q317 VanDerWaalsContact O-N 3.11Å; A314-Q317 PolarHBondContact O-N 3.32Å; A314-Q317 VanDerWaalsContact O-N 3.1Å; V315-Q317 VanDerWaalsContact C-N 3.29Å; V315-Q317 PolarHBondContact O-N 3.19Å; Q317-S319 PolarHBondContact O-N 3.44Å; Q317-S319 VanDerWaalsContact O-N 3.09Å |
| 318 | Y | 81.4 | Confident | 80.8 | Confident | 59 Ų | 59 | 86.9 Ų | 86.9 | 23% | 0.231 | 45% | 0.453 | C | S | . | . | trans | -79.2 | 92.4 | -179 | -69.4 | -60.7 | 0 | 0 | 0 | 112.2 | Q282 H285 A314 V315 P320 C321 | Q282-Y318 WeakPolarHBondContact CG-OH 2.89Å; H285-Y318 HydrophobicContact CB-CE2 4.05Å; H285-Y318 AromaticContact CD2-CD2 3.79Å; H285-Y318 AromaticContact CD2-CE2 3.94Å; H285-Y318 AromaticContact CD2-CG 3.91Å; H285-Y318 AromaticContact CE1-CD2 3.69Å; H285-Y318 AromaticContact CE1-CG 3.96Å; H285-Y318 AromaticContact CG-CD2 3.79Å; H285-Y318 AromaticContact CG-CE2 3.74Å; H285-Y318 AromaticContact ND1-CD2 3.75Å; H285-Y318 AromaticContact NE2-CD2 3.75Å; H285-Y318 AromaticContact NE2-CG 3.65Å; A314-Y318 HydrophobicContact CB-CE2 4.01Å; A314-Y318 WeakPolarHBondContact O-CD2 3.43Å; A314-Y318 WeakPolarHBondContact O-CE2 3.44Å; A314-Y318 PolarHBondContact O-N 2.89Å; V315-Y318 PolarHBondContact O-N 2.91Å; Y318-P320 VanDerWaalsContact C-CD 3.43Å; Y318-C321 PolarHBondContact O-N 2.91Å | ||
| 319 | S | 66.2 | Low | 80 | Confident | 75 Ų | 75 | 90.2 Ų | 90.2 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.5 | -38.3 | -177.3 | 65.4 | 0 | 0 | 0 | 0 | 116.2 | Q317 C321 Q322 | Q317-S319 PolarHBondContact O-N 3.44Å; Q317-S319 VanDerWaalsContact O-N 3.09Å; S319-C321 VanDerWaalsContact C-N 3.25Å; S319-C321 PolarHBondContact O-N 2.62Å; S319-Q322 PolarHBondContact O-N 2.72Å |
| 320 | P | 72.6 | Confident | 79.1 | Confident | 66 Ų | 66 | 90.2 Ų | 90.2 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -26.4 | -177.7 | -19.7 | 34.6 | 0 | 0 | 0 | 112.9 | Y318 I324 | Y318-P320 VanDerWaalsContact C-CD 3.43Å; P320-I324 WeakPolarHBondContact O-CG1 3.3Å |
| 321 | C | 73.1 | Confident | 78.1 | Confident | 33 Ų | 33 | 97.1 Ų | 97.1 | 22% | 0.223 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -78 | -24.6 | -179.5 | -70 | 0 | 0 | 0 | 0 | 112.9 | H285 H288 Y318 S319 | H285-C321 PolarHBondContact CE1-SG 2.63Å; H285-C321 PolarHBondContact NE2-SG 3.38Å; H288-C321 PolarHBondContact ND1-SG 3.24Å; Y318-C321 PolarHBondContact O-N 2.91Å; S319-C321 VanDerWaalsContact C-N 3.25Å; S319-C321 PolarHBondContact O-N 2.62Å |
| 322 | Q | 71.9 | Confident | 76.9 | Confident | 121 Ų | 121 | 104.2 Ų | 104.2 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71 | -35 | 176.5 | -65.7 | -174.2 | -22.1 | 0 | 0 | 111.5 | Q316 S319 I324 G325 | Q316-Q322 PolarHBondContact O-NE2 3.04Å; S319-Q322 PolarHBondContact O-N 2.72Å; Q322-I324 VanDerWaalsContact C-N 3.31Å; Q322-I324 PolarHBondContact O-N 3.35Å; Q322-G325 PolarHBondContact O-N 3.44Å |
| 323 | Q | 72.8 | Confident | 76 | Confident | 167 Ų | 167 | 108.1 Ų | 108.1 | 78% | 0.78 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.7 | -23.6 | -178.2 | -65.3 | 178 | -8.3 | 0 | 0 | 113.6 | ||
| 324 | I | 74 | Confident | 75.4 | Confident | 138 Ų | 138 | 111.8 Ų | 111.8 | 71% | 0.708 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -0.6 | -177.1 | -53 | 166.3 | 0 | 0 | 0 | 111.2 | P320 Q322 | P320-I324 WeakPolarHBondContact O-CG1 3.3Å; Q322-I324 VanDerWaalsContact C-N 3.31Å; Q322-I324 PolarHBondContact O-N 3.35Å |
| 325 | G | 67.7 | Low | 75 | Confident | 39 Ų | 39 | 122.1 Ų | 122.1 | 40% | 0.402 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -56.9 | 154.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q322 D327 | Q322-G325 PolarHBondContact O-N 3.44Å; G325-D327 PolarHBondContact O-N 3.14Å |
| 326 | H | 68.7 | Low | 74.8 | Confident | 151 Ų | 151 | 129.4 Ų | 129.4 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 134.8 | 164.7 | -73 | -54.5 | 0 | 0 | 0 | 108.3 | R290 | R290-H326 PolarHBondContact NH1-CD2 3.34Å; R290-H326 PolarHBondContact NH2-CD2 2.91Å; R290-H326 PolarHBondContact NH2-NE2 2.94Å |
| 327 | D | 70.3 | Confident | 74.8 | Confident | 144 Ų | 144 | 126.3 Ų | 126.3 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 141.6 | 164.4 | -61.4 | -47.5 | 0 | 0 | 0 | 108.9 | G325 | G325-D327 PolarHBondContact O-N 3.14Š|
| 328 | P | 74.5 | Confident | 74.9 | Confident | 105 Ų | 105 | 127.3 Ų | 127.3 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 147 | 171.5 | 24.8 | -33 | 0 | 0 | 0 | 108.9 | T330 | P328-T330 PolarHBondContact O-N 2.82Å; P328-T330 VanDerWaalsContact O-N 3.07Å |
| 329 | P | 74.1 | Confident | 75.3 | Confident | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125.3 | 175.9 | 22.8 | -32.3 | 0 | 0 | 0 | 108.3 | E331 | P329-E331 PolarHBondContact O-N 3.07Š|
| 330 | T | 73.7 | Confident | 76.5 | Confident | 119 Ų | 119 | 133.1 Ų | 133.1 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | trans | -56.5 | 107.3 | -178.9 | -48.7 | 0 | 0 | 0 | 0 | 108.6 | P328 | P328-T330 PolarHBondContact O-N 2.82Å; P328-T330 VanDerWaalsContact O-N 3.07Å | ||
| 331 | E | 71.8 | Confident | 77.4 | Confident | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -80.6 | 130.6 | -175.5 | -155.2 | 161.8 | -151.7 | 0 | 0 | 108.5 | P329 | P329-E331 PolarHBondContact O-N 3.07Š|
| 332 | N | 67.5 | Low | 78.2 | Confident | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | trans | 57.9 | 83.9 | -172.5 | -70.6 | -32.2 | 0 | 0 | 0 | 115.6 | Y334 | N332-Y334 VanDerWaalsContact C-N 3.28Å; N332-Y334 PolarHBondContact O-N 3.29Å | ||
| 333 | L | 74 | Confident | 79 | Confident | 154 Ų | 154 | 141.5 Ų | 141.5 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | trans | -62.8 | 96.6 | 153.5 | -65.8 | 178.9 | 0 | 0 | 0 | 107.9 | R335 | L333-R335 PolarHBondContact O-N 2.87Å; L333-R335 VanDerWaalsContact O-N 3.09Å | ||
| 334 | Y | 79 | Confident | 79.8 | Confident | 191 Ų | 191 | 136.8 Ų | 136.8 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 117 | 170.1 | -172.2 | -96.1 | 0 | 0 | 0 | 107.9 | N332 W336 | N332-Y334 VanDerWaalsContact C-N 3.28Å; N332-Y334 PolarHBondContact O-N 3.29Å; Y334-W336 PolarHBondContact O-N 2.87Å |
| 335 | R | 82.4 | Confident | 80.7 | Confident | 224 Ų | 224 | 135.1 Ų | 135.1 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.4 | 176 | -179.4 | 179.1 | -72.8 | 172 | -1.1 | 107.3 | L333 | L333-R335 PolarHBondContact O-N 2.87Å; L333-R335 VanDerWaalsContact O-N 3.09Å |
| 336 | W | 83 | Confident | 81.7 | Confident | 186 Ų | 186 | 138.6 Ų | 138.6 | 71% | 0.705 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134 | 170.7 | -71 | 95.5 | 0 | 0 | 0 | 109.8 | Y334 | Y334-W336 PolarHBondContact O-N 2.87Š|
| 337 | P | 87.1 | Confident | 82.8 | Confident | 69 Ų | 69 | 138.4 Ų | 138.4 | 45% | 0.448 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 147.9 | 177.5 | 21 | -28.3 | 0 | 0 | 0 | 110.3 | R345 | P337-R345 PolarHBondContact O-NH1 3.42Š|
| 338 | E | 87.9 | Confident | 83.8 | Confident | 183 Ų | 183 | 137.5 Ų | 137.5 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 153 | 179.4 | -164.5 | 160.9 | -161.8 | 0 | 0 | 111.1 | E340 | E338-E340 PolarHBondContact O-N 3.09Š|
| 339 | A | 89.4 | Confident | 84.7 | Confident | 57 Ų | 57 | 139.8 Ų | 139.8 | 47% | 0.471 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 121.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S344 | A339-S344 WeakPolarHBondContact CB-OG 3.2Š|
| 340 | E | 91.2 | Very high | 85.4 | Confident | 198 Ų | 198 | 143.7 Ų | 143.7 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -75.2 | -25.4 | -173.4 | -64 | 179.1 | 177.5 | 0 | 0 | 113.7 | E338 | E338-E340 PolarHBondContact O-N 3.09Š|
| 341 | A | 91.3 | Very high | 86.1 | Confident | 51 Ų | 51 | 147.7 Ų | 147.7 | 42% | 0.421 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -147 | 156.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W343 S344 | A341-W343 PolarHBondContact O-N 3.41Å; A341-S344 PolarHBondContact N-OG 3.23Å; A341-S344 WeakPolarHBondContact O-CB 3.45Å; A341-S344 PolarHBondContact O-N 2.64Å; A341-S344 VanDerWaalsContact O-N 3.08Å; A341-S344 PolarHBondContact O-OG 2.72Å |
| 342 | P | 90 | Very high | 86.4 | Confident | 118 Ų | 118 | 149.3 Ų | 149.3 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | 137.8 | 169.1 | -24 | 34 | 0 | 0 | 0 | 110.6 | S344 | P342-S344 PolarHBondContact O-N 3.08Š|
| 343 | W | 88.8 | Confident | 87 | Confident | 228 Ų | 228 | 147.9 Ų | 147.9 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.6 | 7.9 | -176.9 | -51.5 | 94 | 0 | 0 | 0 | 116.5 | A341 I346 | A341-W343 PolarHBondContact O-N 3.41Å; W343-I346 HydrophobicContact CE3-CD1 3.86Å; W343-I346 HydrophobicContact CZ3-CD1 4.28Å |
| 344 | S | 89.9 | Confident | 86.7 | Confident | 68 Ų | 68 | 153.9 Ų | 153.9 | 48% | 0.476 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -72.6 | -26.8 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | A339 A341 P342 | A339-S344 WeakPolarHBondContact CB-OG 3.2Å; A341-S344 PolarHBondContact N-OG 3.23Å; A341-S344 WeakPolarHBondContact O-CB 3.45Å; A341-S344 PolarHBondContact O-N 2.64Å; A341-S344 VanDerWaalsContact O-N 3.08Å; A341-S344 PolarHBondContact O-OG 2.72Å; P342-S344 PolarHBondContact O-N 3.08Å |
| 345 | R | 91.5 | Very high | 87.1 | Confident | 102 Ų | 102 | 152.1 Ų | 152.1 | 39% | 0.385 | 73% | 0.725 | S | S | . | * | trans | -146.5 | 129.7 | 174.2 | -173.3 | 175.7 | -62.5 | 151.8 | 11.6 | 110.6 | P337 | P337-R345 PolarHBondContact O-NH1 3.42Š| ||
| 346 | I | 89.6 | Confident | 87.3 | Confident | 112 Ų | 112 | 148.3 Ų | 148.3 | 57% | 0.574 | 72% | 0.718 | S | S | * | * | trans | -122.3 | 122.4 | 178.8 | -52.7 | 173.8 | 0 | 0 | 0 | 107.9 | W343 V348 | W343-I346 HydrophobicContact CE3-CD1 3.86Å; W343-I346 HydrophobicContact CZ3-CD1 4.28Å; I346-V348 HydrophobicContact CG2-CG2 3.92Å | ||
| 347 | H | 91.4 | Very high | 87.6 | Confident | 147 Ų | 147 | 146.2 Ų | 146.2 | 68% | 0.681 | 72% | 0.719 | S | S | * | * | trans | -92.4 | 122.7 | 171 | -70.3 | -93.1 | 0 | 0 | 0 | 108.6 | ||||
| 348 | V | 91.8 | Very high | 87.6 | Confident | 126 Ų | 126 | 150.7 Ų | 150.7 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -117.6 | 129.5 | 177.9 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | I346 | I346-V348 HydrophobicContact CG2-CG2 3.92Š| ||
| 349 | D | 93.5 | Very high | 87.6 | Confident | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -133.2 | 152.5 | 176.1 | -165 | 9.3 | 0 | 0 | 0 | 109.9 | ||||
| 350 | Y | 87.9 | Confident | 87.5 | Confident | 204 Ų | 204 | 154.8 Ų | 154.8 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -96 | 115.7 | 176.2 | -75.4 | -81.7 | 0 | 0 | 0 | 110.1 | R352 | Y350-R352 PolarHBondContact O-N 3.48Š| ||
| 351 | F | 88.1 | Confident | 87.2 | Confident | 203 Ų | 203 | 151.7 Ų | 151.7 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 118 | 165.2 | -162.9 | -101.2 | 0 | 0 | 0 | 109.2 | ||
| 352 | R | 79.4 | Confident | 86.9 | Confident | 212 Ų | 212 | 159.5 Ų | 159.5 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 159.8 | -177.6 | -70.4 | -161.9 | -161.6 | -177.5 | 6.6 | 111.8 | Y350 | Y350-R352 PolarHBondContact O-N 3.48Š|
| 353 | P | 79.8 | Confident | 86.6 | Confident | 121 Ų | 121 | 162.9 Ų | 162.9 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 161.9 | -142.4 | 27.2 | -33.8 | 0 | 0 | 0 | 117.6 | ||
| 354 | F | 67.9 | Low | 86.4 | Confident | 280 Ų | 280 | 157 Ų | 157 | 100% | 1.228 | 75% | 0.745 | S | S | * | * | trans | -60 | 0 | -173.5 | -60.7 | -82.3 | 0 | 0 | 0 | 116.8 |
Retrieved 354 of 354 residues in 877.7 ms
(Link to these results)