| 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 | 44.2 | Very low | 57.6 | Low | 206 Ų | 206 | 90.3 Ų | 90.3 | 100% | 1.015 | 50% | 0.504 | S | S | * | . | 0 | -32.2 | 0 | -81 | 172 | -173.1 | 0 | 0 | 113.4 | A3 T4 | M1-A3 PolarHBondContact O-N 2.9Å; M1-T4 PolarHBondContact O-OG1 3.06Å | |||
| 2 | A | 44.7 | Very low | 59.1 | Low | 84 Ų | 84 | 92 Ų | 92 | 69% | 0.694 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.7 | -27.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R6 | A2-R6 PolarHBondContact O-N 3.2Å |
| 3 | A | 40 | Very low | 60.7 | Low | 83 Ų | 83 | 92.8 Ų | 92.8 | 69% | 0.686 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.7 | -38.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 S7 | M1-A3 PolarHBondContact O-N 2.9Å; A3-S7 PolarHBondContact O-N 3.48Å; A3-S7 VanDerWaalsContact O-N 3.17Å; A3-S7 PolarHBondContact O-OG 3.26Å; A3-S7 VanDerWaalsContact O-OG 3.06Å |
| 4 | T | 53.4 | Low | 61.9 | Low | 69 Ų | 69 | 91.1 Ų | 91.1 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 178.7 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | M1 R6 S7 E8 | M1-T4 PolarHBondContact O-OG1 3.06Å; T4-R6 VanDerWaalsContact C-N 3.32Å; T4-R6 PolarHBondContact O-N 3.3Å; T4-S7 WeakPolarHBondContact CA-OG 3.5Å; T4-S7 PolarHBondContact O-N 3.04Å; T4-S7 VanDerWaalsContact O-N 3.13Å; T4-S7 PolarHBondContact O-OG 2.93Å; T4-E8 VanDerWaalsContact O-CG 3.27Å; T4-E8 WeakPolarHBondContact O-CG 3.45Å; T4-E8 PolarHBondContact O-N 3.31Å |
| 5 | D | 56.5 | Low | 63 | Low | 103 Ų | 103 | 86.4 Ų | 86.4 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | -176 | -57.9 | -8.1 | 0 | 0 | 0 | 112.1 | E8 G9 | D5-E8 PolarHBondContact O-N 3.16Å; D5-G9 PolarHBondContact O-N 3.34Å; D5-G9 VanDerWaalsContact O-N 3.14Å |
| 6 | R | 56.1 | Low | 64.3 | Low | 215 Ų | 215 | 88.6 Ų | 88.6 | 81% | 0.811 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.3 | -40 | 175.8 | -162.8 | 177.9 | -167 | -178.4 | 4 | 111.7 | A2 T4 E8 G9 Q10 | A2-R6 PolarHBondContact O-N 3.2Å; T4-R6 VanDerWaalsContact C-N 3.32Å; T4-R6 PolarHBondContact O-N 3.3Å; R6-E8 VanDerWaalsContact C-N 3.34Å; R6-G9 PolarHBondContact O-N 3.37Å; R6-Q10 PolarHBondContact O-N 3.3Å |
| 7 | S | 61.4 | Low | 65.4 | Low | 30 Ų | 30 | 90.5 Ų | 90.5 | 21% | 0.21 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 113 | A3 T4 Q10 M11 D197 | A3-S7 PolarHBondContact O-N 3.48Å; A3-S7 VanDerWaalsContact O-N 3.17Å; A3-S7 PolarHBondContact O-OG 3.26Å; A3-S7 VanDerWaalsContact O-OG 3.06Å; T4-S7 WeakPolarHBondContact CA-OG 3.5Å; T4-S7 PolarHBondContact O-N 3.04Å; T4-S7 VanDerWaalsContact O-N 3.13Å; T4-S7 PolarHBondContact O-OG 2.93Å; S7-Q10 PolarHBondContact O-N 3.45Å; S7-M11 WeakPolarHBondContact O-CB 3.41Å; S7-M11 PolarHBondContact O-N 3.49Å; S7-D197 WeakPolarHBondContact CA-OD2 3.32Å; S7-D197 WeakPolarHBondContact CB-OD1 3.46Å; S7-D197 WeakPolarHBondContact CB-OD2 3.45Å |
| 8 | E | 64.4 | Low | 66.2 | Low | 73 Ų | 73 | 88.1 Ų | 88.1 | 34% | 0.341 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 177.3 | -70.2 | -170.4 | 175 | 0 | 0 | 112 | T4 D5 R6 R12 C38 | T4-E8 VanDerWaalsContact O-CG 3.27Å; T4-E8 WeakPolarHBondContact O-CG 3.45Å; T4-E8 PolarHBondContact O-N 3.31Å; D5-E8 PolarHBondContact O-N 3.16Å; R6-E8 VanDerWaalsContact C-N 3.34Å; E8-R12 WeakPolarHBondContact O-CB 3.37Å; E8-R12 VanDerWaalsContact O-CG 3.3Å; E8-R12 WeakPolarHBondContact O-CG 3.25Å; E8-R12 PolarHBondContact O-N 2.84Å; E8-C38 HydrophobicContact CB-CB 4.46Å; E8-C38 HydrophobicContact CG-CB 3.6Å; E8-C38 WeakPolarHBondContact CG-SG 3.49Å; E8-C38 WeakPolarHBondContact OE1-CB 3.41Å |
| 9 | G | 72.4 | Confident | 67.2 | Low | 35 Ų | 35 | 85.1 Ų | 85.1 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D5 R6 R12 E13 | D5-G9 PolarHBondContact O-N 3.34Å; D5-G9 VanDerWaalsContact O-N 3.14Å; R6-G9 PolarHBondContact O-N 3.37Å; G9-R12 PolarHBondContact O-N 2.8Å; G9-E13 PolarHBondContact O-N 3.32Å |
| 10 | Q | 70.7 | Confident | 68 | Low | 84 Ų | 84 | 87.5 Ų | 87.5 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | -179.8 | -166.9 | 63.2 | 60.8 | 0 | 0 | 112 | R6 S7 R12 E13 N14 | R6-Q10 PolarHBondContact O-N 3.3Å; S7-Q10 PolarHBondContact O-N 3.45Å; Q10-R12 VanDerWaalsContact C-N 3.35Å; Q10-R12 PolarHBondContact O-N 3.06Å; Q10-E13 PolarHBondContact NE2-OE2 2.89Å; Q10-E13 PolarHBondContact O-N 3.31Å; Q10-N14 PolarHBondContact NE2-OD1 3.34Å; Q10-N14 WeakPolarHBondContact O-CB 3.31Å; Q10-N14 VanDerWaalsContact O-CG 3.23Å; Q10-N14 PolarHBondContact O-N 3.36Å; Q10-N14 PolarHBondContact O-OD1 2.87Å |
| 11 | M | 69.4 | Low | 68.7 | Low | 11 Ų | 11 | 89.6 Ų | 89.6 | 5% | 0.054 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 174.6 | -177.3 | -173.9 | 172.8 | 0 | 0 | 110.8 | S7 E13 N14 M15 L34 | S7-M11 WeakPolarHBondContact O-CB 3.41Å; S7-M11 PolarHBondContact O-N 3.49Å; M11-E13 VanDerWaalsContact C-N 3.33Å; M11-E13 PolarHBondContact O-N 3.24Å; M11-N14 PolarHBondContact O-N 2.83Å; M11-M15 HydrophobicContact CE-CG 4.45Å; M11-M15 HydrophobicContact CG-CG 4.27Å; M11-M15 WeakPolarHBondContact O-CB 3.37Å; M11-M15 VanDerWaalsContact O-CG 3.26Å; M11-M15 WeakPolarHBondContact O-CG 3.43Å; M11-M15 PolarHBondContact O-N 3.5Å; M11-L34 HydrophobicContact CE-CB 4.13Å; M11-L34 HydrophobicContact CE-CD1 4.35Å; M11-L34 HydrophobicContact CE-CD2 4.23Å; M11-L34 HydrophobicContact CE-CG 4.47Å |
| 12 | R | 76.2 | Confident | 70.5 | Confident | 111 Ų | 111 | 81 Ų | 81 | 42% | 0.419 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 177.7 | -76.1 | 176.4 | 176.1 | -177 | 2.7 | 112.4 | E8 G9 Q10 K16 L35 | E8-R12 WeakPolarHBondContact O-CB 3.37Å; E8-R12 VanDerWaalsContact O-CG 3.3Å; E8-R12 WeakPolarHBondContact O-CG 3.25Å; E8-R12 PolarHBondContact O-N 2.84Å; G9-R12 PolarHBondContact O-N 2.8Å; Q10-R12 VanDerWaalsContact C-N 3.35Å; Q10-R12 PolarHBondContact O-N 3.06Å; R12-K16 WeakPolarHBondContact O-CB 3.4Å; R12-K16 VanDerWaalsContact O-CG 3.27Å; R12-K16 WeakPolarHBondContact O-CG 3.47Å; R12-K16 PolarHBondContact O-N 2.86Å; R12-L35 HydrophobicContact CB-CD2 4.13Å; R12-L35 HydrophobicContact CG-CD2 4.17Å |
| 13 | E | 80.2 | Confident | 72.3 | Confident | 103 Ų | 103 | 83.1 Ų | 83.1 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.1 | -72.3 | -174.1 | 163 | 0 | 0 | 112.3 | G9 Q10 M11 K16 K17 | G9-E13 PolarHBondContact O-N 3.32Å; Q10-E13 PolarHBondContact NE2-OE2 2.89Å; Q10-E13 PolarHBondContact O-N 3.31Å; M11-E13 VanDerWaalsContact C-N 3.33Å; M11-E13 PolarHBondContact O-N 3.24Å; E13-K16 PolarHBondContact O-N 3.41Å; E13-K17 WeakPolarHBondContact O-CG 3.22Å; E13-K17 PolarHBondContact O-N 2.93Å |
| 14 | N | 77.6 | Confident | 74.6 | Confident | 68 Ų | 68 | 81.3 Ų | 81.3 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 178.7 | -69.3 | -9.9 | 0 | 0 | 0 | 111.4 | Q10 M11 K17 L18 | Q10-N14 PolarHBondContact NE2-OD1 3.34Å; Q10-N14 WeakPolarHBondContact O-CB 3.31Å; Q10-N14 VanDerWaalsContact O-CG 3.23Å; Q10-N14 PolarHBondContact O-N 3.36Å; Q10-N14 PolarHBondContact O-OD1 2.87Å; M11-N14 PolarHBondContact O-N 2.83Å; N14-K17 PolarHBondContact O-N 3.32Å; N14-L18 WeakPolarHBondContact O-CB 3.47Å; N14-L18 PolarHBondContact O-N 3.3Å |
| 15 | M | 78 | Confident | 76.3 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 175.6 | -67.1 | -61.5 | 129.9 | 0 | 0 | 111.7 | M11 L18 L19 L34 L35 | M11-M15 HydrophobicContact CE-CG 4.45Å; M11-M15 HydrophobicContact CG-CG 4.27Å; M11-M15 WeakPolarHBondContact O-CB 3.37Å; M11-M15 VanDerWaalsContact O-CG 3.26Å; M11-M15 WeakPolarHBondContact O-CG 3.43Å; M11-M15 PolarHBondContact O-N 3.5Å; M15-L18 PolarHBondContact O-N 3.05Å; M15-L19 WeakPolarHBondContact O-CB 3.49Å; M15-L19 PolarHBondContact O-N 3.49Å; M15-L34 HydrophobicContact SD-CB 4.5Å; M15-L34 HydrophobicContact SD-CD1 3.84Å; M15-L35 HydrophobicContact CB-CD2 3.83Å; M15-L35 HydrophobicContact CB-CG 4.04Å |
| 16 | K | 83.8 | Confident | 77.7 | Confident | 121 Ų | 121 | 74 Ų | 74 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 172.5 | -77.2 | 176.6 | -179.4 | -176.2 | 0 | 112.2 | R12 E13 L19 N20 L35 | R12-K16 WeakPolarHBondContact O-CB 3.4Å; R12-K16 VanDerWaalsContact O-CG 3.27Å; R12-K16 WeakPolarHBondContact O-CG 3.47Å; R12-K16 PolarHBondContact O-N 2.86Å; E13-K16 PolarHBondContact O-N 3.41Å; K16-L19 PolarHBondContact O-N 3.21Å; K16-N20 WeakPolarHBondContact O-CB 3.24Å; K16-N20 VanDerWaalsContact O-CG 3.23Å; K16-N20 PolarHBondContact O-N 3.25Å; K16-N20 PolarHBondContact O-ND2 3.3Å; K16-L35 HydrophobicContact CG-CD1 4.24Å; K16-L35 HydrophobicContact CG-CD2 4Å |
| 17 | K | 83.1 | Confident | 79 | Confident | 121 Ų | 121 | 63.9 Ų | 63.9 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.3 | -73.1 | 173.5 | -176.6 | 173.1 | 0 | 111.3 | E13 N14 N20 N21 | E13-K17 WeakPolarHBondContact O-CG 3.22Å; E13-K17 PolarHBondContact O-N 2.93Å; N14-K17 PolarHBondContact O-N 3.32Å; K17-N20 PolarHBondContact O-N 2.93Å; K17-N21 VanDerWaalsContact O-CG 3.31Å; K17-N21 PolarHBondContact O-N 3.3Å; K17-N21 PolarHBondContact O-ND2 2.9Å |
| 18 | L | 80.4 | Confident | 80.3 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 178 | -173.2 | 60.7 | 0 | 0 | 0 | 111.3 | N14 M15 N20 N21 T22 E27 | N14-L18 WeakPolarHBondContact O-CB 3.47Å; N14-L18 PolarHBondContact O-N 3.3Å; M15-L18 PolarHBondContact O-N 3.05Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 3.49Å; L18-N21 PolarHBondContact O-N 2.83Å; L18-T22 WeakPolarHBondContact O-CB 3.27Å; L18-T22 WeakPolarHBondContact O-CG2 3.41Å; L18-T22 PolarHBondContact O-N 3.46Å; L18-E27 HydrophobicContact CD2-CG 4.27Å; L18-E27 WeakPolarHBondContact CD2-OE1 3.37Å; L18-E27 HydrophobicContact CG-CG 4.28Å |
| 19 | L | 83.6 | Confident | 81.4 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.1 | -39.8 | 176 | -178.6 | 64.4 | 0 | 0 | 0 | 112.4 | M15 K16 N21 K28 C31 Q32 L35 | M15-L19 WeakPolarHBondContact O-CB 3.49Å; M15-L19 PolarHBondContact O-N 3.49Å; K16-L19 PolarHBondContact O-N 3.21Å; L19-N21 VanDerWaalsContact C-N 3.32Å; L19-K28 HydrophobicContact CD1-CB 3.98Å; L19-K28 HydrophobicContact CD1-CG 4.04Å; L19-C31 HydrophobicContact CB-CB 3.97Å; L19-C31 HydrophobicContact CD1-CB 4.02Å; L19-C31 HydrophobicContact CG-CB 4.48Å; L19-Q32 HydrophobicContact CD1-CG 4.28Å; L19-Q32 HydrophobicContact CD2-CG 4.29Å; L19-L35 HydrophobicContact CD2-CD1 4.04Å |
| 20 | N | 83.3 | Confident | 82 | Confident | 132 Ų | 132 | 59.6 Ų | 59.6 | 71% | 0.706 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -72.5 | -24.6 | 178.1 | -71.9 | -11.7 | 0 | 0 | 0 | 113.5 | K16 K17 L18 | K16-N20 WeakPolarHBondContact O-CB 3.24Å; K16-N20 VanDerWaalsContact O-CG 3.23Å; K16-N20 PolarHBondContact O-N 3.25Å; K16-N20 PolarHBondContact O-ND2 3.3Å; K17-N20 PolarHBondContact O-N 2.93Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 3.49Å |
| 21 | N | 83.2 | Confident | 82.6 | Confident | 133 Ų | 133 | 55.6 Ų | 55.6 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -100.5 | -17 | -175.2 | -70 | -20 | 0 | 0 | 0 | 113.5 | K17 L18 L19 | K17-N21 VanDerWaalsContact O-CG 3.31Å; K17-N21 PolarHBondContact O-N 3.3Å; K17-N21 PolarHBondContact O-ND2 2.9Å; L18-N21 PolarHBondContact O-N 2.83Å; L19-N21 VanDerWaalsContact C-N 3.32Å |
| 22 | T | 82.6 | Confident | 83.4 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | trans | -87 | 134 | -176.4 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | L18 D24 E27 K28 | L18-T22 WeakPolarHBondContact O-CB 3.27Å; L18-T22 WeakPolarHBondContact O-CG2 3.41Å; L18-T22 PolarHBondContact O-N 3.46Å; T22-D24 PolarHBondContact OG1-N 2.89Å; T22-E27 HydrophobicContact CG2-CB 3.95Å; T22-E27 HydrophobicContact CG2-CG 4.02Å; T22-E27 WeakPolarHBondContact OG1-CB 3.34Å; T22-K28 HydrophobicContact CG2-CG 3.79Å; T22-K28 WeakPolarHBondContact O-CE 3.44Å | ||
| 23 | T | 83.1 | Confident | 83.8 | Confident | 129 Ų | 129 | 51.2 Ų | 51.2 | 79% | 0.791 | 26% | 0.261 | S | S | * | . | trans | -93.2 | -17.7 | 169.5 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 24 | D | 86.5 | Confident | 83.8 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | trans | -75.4 | 128.4 | -177.3 | 177 | 75.5 | 0 | 0 | 0 | 111.1 | T22 M26 E27 K28 R86 | T22-D24 PolarHBondContact OG1-N 2.89Å; D24-M26 VanDerWaalsContact C-N 3.32Å; D24-M26 PolarHBondContact O-N 3.28Å; D24-M26 WeakPolarHBondContact OD2-CA 3.12Å; D24-M26 WeakPolarHBondContact OD2-CB 3.38Å; D24-M26 PolarHBondContact OD2-N 3.09Å; D24-E27 HydrophobicContact CB-CB 4.25Å; D24-E27 PolarHBondContact O-N 2.9Å; D24-E27 PolarHBondContact OD2-N 3.37Å; D24-K28 WeakPolarHBondContact O-CG 3.37Å; D24-K28 PolarHBondContact O-N 3.4Å; D24-R86 IonicContact OD1-CZ 3.56Å; D24-R86 IonicContact OD1-NH1 2.83Å; D24-R86 PolarHBondContact OD1-NH1 2.66Å; D24-R86 IonicContact OD1-NH2 3.3Å; D24-R86 PolarHBondContact OD1-NH2 3.02Å | ||
| 25 | T | 89.1 | Confident | 83.9 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -31.6 | -175.6 | 54 | 0 | 0 | 0 | 0 | 112.3 | K28 L29 L75 E79 | T25-K28 PolarHBondContact O-N 3.36Å; T25-L29 PolarHBondContact O-N 3.39Å; T25-L75 HydrophobicContact CG2-CD1 4.4Å; T25-L75 HydrophobicContact CG2-CD2 3.83Å; T25-E79 HydrophobicContact CG2-CB 4.06Å; T25-E79 HydrophobicContact CG2-CG 4.24Å |
| 26 | M | 87.2 | Confident | 83.9 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 174.6 | -168.2 | 76.5 | 68.5 | 0 | 0 | 110.6 | D24 K28 L29 R30 L83 R86 I87 A103 L104 | D24-M26 VanDerWaalsContact C-N 3.32Å; D24-M26 PolarHBondContact O-N 3.28Å; D24-M26 WeakPolarHBondContact OD2-CA 3.12Å; D24-M26 WeakPolarHBondContact OD2-CB 3.38Å; D24-M26 PolarHBondContact OD2-N 3.09Å; M26-K28 VanDerWaalsContact C-N 3.33Å; M26-K28 PolarHBondContact O-N 3.25Å; M26-L29 PolarHBondContact O-N 2.88Å; M26-R30 WeakPolarHBondContact O-CB 3.46Å; M26-R30 PolarHBondContact O-N 2.92Å; M26-L83 HydrophobicContact CB-CD1 3.95Å; M26-L83 HydrophobicContact CE-CD1 3.57Å; M26-L83 HydrophobicContact CG-CD1 4.45Å; M26-L83 HydrophobicContact SD-CD1 3.71Å; M26-R86 HydrophobicContact CE-CB 4.41Å; M26-I87 HydrophobicContact CE-CD1 4.36Å; M26-I87 HydrophobicContact CE-CG1 3.65Å; M26-I87 HydrophobicContact SD-CD1 4.19Å; M26-I87 HydrophobicContact SD-CG1 4.04Å; M26-A103 HydrophobicContact CE-CB 3.87Å; M26-A103 HydrophobicContact SD-CB 3.89Å; M26-L104 HydrophobicContact SD-CD2 4.05Å |
| 27 | E | 83.7 | Confident | 83 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.9 | -36.2 | 179.6 | -162 | 61 | -135.6 | 0 | 0 | 111.6 | L18 T22 D24 R30 C31 S107 T108 | L18-E27 HydrophobicContact CD2-CG 4.27Å; L18-E27 WeakPolarHBondContact CD2-OE1 3.37Å; L18-E27 HydrophobicContact CG-CG 4.28Å; T22-E27 HydrophobicContact CG2-CB 3.95Å; T22-E27 HydrophobicContact CG2-CG 4.02Å; T22-E27 WeakPolarHBondContact OG1-CB 3.34Å; D24-E27 HydrophobicContact CB-CB 4.25Å; D24-E27 PolarHBondContact O-N 2.9Å; D24-E27 PolarHBondContact OD2-N 3.37Å; E27-R30 PolarHBondContact O-N 2.89Å; E27-R30 IonicContact OE1-NE 3.68Å; E27-C31 VanDerWaalsContact O-CB 3.32Å; E27-C31 WeakPolarHBondContact O-CB 3.41Å; E27-C31 PolarHBondContact O-N 2.79Å; E27-C31 PolarHBondContact O-SG 3.28Å; E27-C31 VanDerWaalsContact O-SG 3.38Å; E27-S107 WeakPolarHBondContact CA-OG 3.15Å; E27-S107 PolarHBondContact N-OG 3.49Å; E27-S107 VanDerWaalsContact OE2-C 3.29Å; E27-S107 WeakPolarHBondContact OE2-CB 3.44Å; E27-S107 PolarHBondContact OE2-OG 2.83Å; E27-T108 PolarHBondContact OE2-N 3.15Å; E27-T108 PolarHBondContact OE2-OG1 3.4Å |
| 28 | K | 87 | Confident | 81.7 | Confident | 45 Ų | 45 | 39 Ų | 39 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -49.1 | 171 | -70.7 | 178.1 | -180 | 171.9 | 0 | 111.4 | L19 T22 D24 T25 M26 C31 Q32 L75 | L19-K28 HydrophobicContact CD1-CB 3.98Å; L19-K28 HydrophobicContact CD1-CG 4.04Å; T22-K28 HydrophobicContact CG2-CG 3.79Å; T22-K28 WeakPolarHBondContact O-CE 3.44Å; D24-K28 WeakPolarHBondContact O-CG 3.37Å; D24-K28 PolarHBondContact O-N 3.4Å; T25-K28 PolarHBondContact O-N 3.36Å; M26-K28 VanDerWaalsContact C-N 3.33Å; M26-K28 PolarHBondContact O-N 3.25Å; K28-C31 PolarHBondContact O-N 2.59Å; K28-Q32 WeakPolarHBondContact O-CG 3.5Å; K28-Q32 PolarHBondContact O-N 3.22Å; K28-L75 HydrophobicContact CD-CD2 3.76Å |
| 29 | L | 88.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 178.3 | 179.6 | 57.8 | 0 | 0 | 0 | 111.4 | T25 M26 C31 Q32 C33 M51 F64 V68 T73 L83 I87 F100 L104 | T25-L29 PolarHBondContact O-N 3.39Å; M26-L29 PolarHBondContact O-N 2.88Å; L29-C31 PolarHBondContact O-N 3.05Å; L29-Q32 PolarHBondContact O-N 3.06Å; L29-C33 WeakPolarHBondContact O-CB 3.47Å; L29-C33 PolarHBondContact O-N 3.49Å; L29-C33 PolarHBondContact O-SG 2.75Å; L29-C33 VanDerWaalsContact O-SG 3.41Å; L29-M51 HydrophobicContact CD1-CE 4.16Å; L29-F64 HydrophobicContact CD2-CE2 3.87Å; L29-F64 HydrophobicContact CD2-CZ 3.72Å; L29-V68 HydrophobicContact CD1-CG2 4.01Å; L29-V68 HydrophobicContact CD2-CG2 4.37Å; L29-T73 HydrophobicContact CD1-CG2 4.05Å; L29-L83 HydrophobicContact CB-CD2 4.08Å; L29-L83 HydrophobicContact CD2-CD2 3.79Å; L29-I87 HydrophobicContact CD2-CD1 4.4Å; L29-F100 HydrophobicContact CD2-CE2 4.39Å; L29-L104 HydrophobicContact CB-CD2 4.28Å; L29-L104 HydrophobicContact CD2-CD2 3.89Å; L29-L104 HydrophobicContact CG-CD2 3.83Å |
| 30 | R | 84.7 | Confident | 79.6 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.2 | -51.5 | 176.9 | 177.4 | 180 | 169.2 | 118.5 | -8.6 | 111.4 | M26 E27 Q32 C33 L34 F44 L104 R105 | M26-R30 WeakPolarHBondContact O-CB 3.46Å; M26-R30 PolarHBondContact O-N 2.92Å; E27-R30 PolarHBondContact O-N 2.89Å; E27-R30 IonicContact OE1-NE 3.68Å; R30-Q32 VanDerWaalsContact C-N 3.32Å; R30-Q32 PolarHBondContact O-N 3.44Å; R30-C33 WeakPolarHBondContact O-CB 3.38Å; R30-C33 PolarHBondContact O-N 3.21Å; R30-L34 HydrophobicContact CG-CD1 4.01Å; R30-L34 WeakPolarHBondContact O-CG 3Å; R30-L34 PolarHBondContact O-N 3.46Å; R30-F44 HydrophobicContact CG-CE1 4.44Å; R30-F44 HydrophobicContact CG-CZ 4.17Å; R30-L104 HydrophobicContact CB-CD2 4.24Å; R30-L104 WeakPolarHBondContact CD-O 3.33Å; R30-L104 PolarHBondContact NH1-O 3.18Å; R30-R105 PolarHBondContact NH1-O 3.15Å |
| 31 | C | 83.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 178.3 | -79 | 0 | 0 | 0 | 0 | 111.3 | L19 E27 K28 L29 L34 L35 | L19-C31 HydrophobicContact CB-CB 3.97Å; L19-C31 HydrophobicContact CD1-CB 4.02Å; L19-C31 HydrophobicContact CG-CB 4.48Å; E27-C31 VanDerWaalsContact O-CB 3.32Å; E27-C31 WeakPolarHBondContact O-CB 3.41Å; E27-C31 PolarHBondContact O-N 2.79Å; E27-C31 PolarHBondContact O-SG 3.28Å; E27-C31 VanDerWaalsContact O-SG 3.38Å; K28-C31 PolarHBondContact O-N 2.59Å; L29-C31 PolarHBondContact O-N 3.05Å; C31-L34 PolarHBondContact O-N 2.96Å; C31-L35 WeakPolarHBondContact O-CB 3.34Å; C31-L35 WeakPolarHBondContact O-CG 3.37Å; C31-L35 PolarHBondContact O-N 2.8Å |
| 32 | Q | 86.9 | Confident | 78 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 178.3 | -72.8 | -67.7 | 13.3 | 0 | 0 | 113.4 | L19 K28 L29 R30 R36 G72 T73 | L19-Q32 HydrophobicContact CD1-CG 4.28Å; L19-Q32 HydrophobicContact CD2-CG 4.29Å; K28-Q32 WeakPolarHBondContact O-CG 3.5Å; K28-Q32 PolarHBondContact O-N 3.22Å; L29-Q32 PolarHBondContact O-N 3.06Å; R30-Q32 VanDerWaalsContact C-N 3.32Å; R30-Q32 PolarHBondContact O-N 3.44Å; Q32-R36 PolarHBondContact O-N 2.82Å; Q32-G72 PolarHBondContact NE2-O 2.85Å; Q32-T73 HydrophobicContact CB-CG2 3.93Å; Q32-T73 HydrophobicContact CG-CG2 3.71Å |
| 33 | C | 84.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 171.3 | -77.8 | 0 | 0 | 0 | 0 | 111 | L29 R30 L35 R36 Q43 F44 S47 | L29-C33 WeakPolarHBondContact O-CB 3.47Å; L29-C33 PolarHBondContact O-N 3.49Å; L29-C33 PolarHBondContact O-SG 2.75Å; L29-C33 VanDerWaalsContact O-SG 3.41Å; R30-C33 WeakPolarHBondContact O-CB 3.38Å; R30-C33 PolarHBondContact O-N 3.21Å; C33-L35 PolarHBondContact O-N 3.45Å; C33-R36 PolarHBondContact O-N 3.38Å; C33-Q43 WeakPolarHBondContact O-CG 3.32Å; C33-F44 HydrophobicContact CB-CD1 3.83Å; C33-F44 HydrophobicContact CB-CE1 3.81Å; C33-S47 PolarHBondContact SG-OG 3.01Å; C33-S47 VanDerWaalsContact SG-OG 3.4Å |
| 34 | L | 79 | Confident | 77.7 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -32.7 | -178.3 | -68 | 175.1 | 0 | 0 | 0 | 113.1 | M11 M15 R30 C31 R36 G37 F44 | M11-L34 HydrophobicContact CE-CB 4.13Å; M11-L34 HydrophobicContact CE-CD1 4.35Å; M11-L34 HydrophobicContact CE-CD2 4.23Å; M11-L34 HydrophobicContact CE-CG 4.47Å; M15-L34 HydrophobicContact SD-CB 4.5Å; M15-L34 HydrophobicContact SD-CD1 3.84Å; R30-L34 HydrophobicContact CG-CD1 4.01Å; R30-L34 WeakPolarHBondContact O-CG 3Å; R30-L34 PolarHBondContact O-N 3.46Å; C31-L34 PolarHBondContact O-N 2.96Å; L34-R36 PolarHBondContact O-N 2.98Å; L34-G37 CarbonylContact O-C 3.6Å; L34-G37 PolarHBondContact O-N 3.19Å; L34-G37 VanDerWaalsContact O-O 3.1Å; L34-F44 HydrophobicContact CD2-CE1 3.93Å; L34-F44 HydrophobicContact CD2-CZ 3.91Å; L34-F44 HydrophobicContact CG-CE1 4.04Å; L34-F44 HydrophobicContact CG-CZ 4.17Å |
| 35 | L | 80 | Confident | 77.5 | Confident | 31 Ų | 31 | 28.7 Ų | 28.7 | 16% | 0.162 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -25.2 | 177.1 | -76.5 | 170.4 | 0 | 0 | 0 | 113.2 | R12 M15 K16 L19 C31 C33 G37 | R12-L35 HydrophobicContact CB-CD2 4.13Å; R12-L35 HydrophobicContact CG-CD2 4.17Å; M15-L35 HydrophobicContact CB-CD2 3.83Å; M15-L35 HydrophobicContact CB-CG 4.04Å; K16-L35 HydrophobicContact CG-CD1 4.24Å; K16-L35 HydrophobicContact CG-CD2 4Å; L19-L35 HydrophobicContact CD2-CD1 4.04Å; C31-L35 WeakPolarHBondContact O-CB 3.34Å; C31-L35 WeakPolarHBondContact O-CG 3.37Å; C31-L35 PolarHBondContact O-N 2.8Å; C33-L35 PolarHBondContact O-N 3.45Å; L35-G37 VanDerWaalsContact C-N 3.32Å; L35-G37 PolarHBondContact O-N 2.89Å |
| 36 | R | 78.1 | Confident | 77.3 | Confident | 103 Ų | 103 | 34.5 Ų | 34.5 | 39% | 0.389 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17 | 177.8 | -80.6 | -169.9 | 157.7 | 71.9 | -0.2 | 114.5 | Q32 C33 L34 D70 F71 | Q32-R36 PolarHBondContact O-N 2.82Å; C33-R36 PolarHBondContact O-N 3.38Å; L34-R36 PolarHBondContact O-N 2.98Å; R36-D70 PolarHBondContact NH2-O 2.74Å; R36-F71 PolarHBondContact NH1-O 3.11Å |
| 37 | G | 64.9 | Low | 77.4 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | trans | -179.7 | 139 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L34 L35 S39 | L34-G37 CarbonylContact O-C 3.6Å; L34-G37 PolarHBondContact O-N 3.19Å; L34-G37 VanDerWaalsContact O-O 3.1Å; L35-G37 VanDerWaalsContact C-N 3.32Å; L35-G37 PolarHBondContact O-N 2.89Å; G37-S39 PolarHBondContact O-N 3.46Å | ||
| 38 | C | 55.8 | Low | 77.7 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 19% | 0.189 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -83.5 | 25.5 | -170.2 | -52.7 | 0 | 0 | 0 | 0 | 113.5 | E8 | E8-C38 HydrophobicContact CB-CB 4.46Å; E8-C38 HydrophobicContact CG-CB 3.6Å; E8-C38 WeakPolarHBondContact CG-SG 3.49Å; E8-C38 WeakPolarHBondContact OE1-CB 3.41Å |
| 39 | S | 57.5 | Low | 77.8 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 54% | 0.538 | 19% | 0.191 | S | C | . | . | trans | -103.1 | 33 | -171.9 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | G37 I41 K42 Q43 | G37-S39 PolarHBondContact O-N 3.46Å; S39-I41 PolarHBondContact O-N 3.1Å; S39-K42 WeakPolarHBondContact O-CB 3.37Å; S39-K42 PolarHBondContact O-N 2.97Å; S39-Q43 PolarHBondContact O-N 2.8Å | ||
| 40 | G | 62.4 | Low | 77.8 | Confident | 5 Ų | 5 | 44 Ų | 44 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | 42.5 | -124.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K42 Q43 S195 | G40-K42 PolarHBondContact O-N 3.3Å; G40-Q43 VanDerWaalsContact O-CB 3.22Å; G40-Q43 WeakPolarHBondContact O-CB 3.31Å; G40-Q43 PolarHBondContact O-N 3.26Å; G40-S195 WeakPolarHBondContact CA-OG 3.49Å |
| 41 | I | 62.6 | Low | 78.2 | Confident | 34 Ų | 34 | 44 Ų | 44 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.3 | -35.6 | -179.1 | -65.6 | 166.2 | 0 | 0 | 0 | 112.8 | S39 Q43 F44 A45 Y188 V192 | S39-I41 PolarHBondContact O-N 3.1Å; I41-Q43 PolarHBondContact O-N 2.89Å; I41-F44 PolarHBondContact O-N 3.43Å; I41-F44 VanDerWaalsContact O-N 3.09Å; I41-A45 PolarHBondContact O-N 3.43Å; I41-Y188 HydrophobicContact CD1-CE2 4.04Å; I41-V192 HydrophobicContact CD1-CG2 3.69Å |
| 42 | K | 69.6 | Low | 78.6 | Confident | 169 Ų | 169 | 44.3 Ų | 44.3 | 74% | 0.735 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.8 | -26.1 | 178.5 | -62.7 | -176.1 | 178.2 | -178.6 | 0 | 111.8 | S39 G40 R46 | S39-K42 WeakPolarHBondContact O-CB 3.37Å; S39-K42 PolarHBondContact O-N 2.97Å; G40-K42 PolarHBondContact O-N 3.3Å; K42-R46 WeakPolarHBondContact O-CB 3.21Å; K42-R46 PolarHBondContact O-N 3.46Å |
| 43 | Q | 77 | Confident | 78.8 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.7 | -35.5 | 176.7 | -174.6 | 53.1 | 49.9 | 0 | 0 | 111.4 | C33 S39 G40 I41 R46 S47 | C33-Q43 WeakPolarHBondContact O-CG 3.32Å; S39-Q43 PolarHBondContact O-N 2.8Å; G40-Q43 VanDerWaalsContact O-CB 3.22Å; G40-Q43 WeakPolarHBondContact O-CB 3.31Å; G40-Q43 PolarHBondContact O-N 3.26Å; I41-Q43 PolarHBondContact O-N 2.89Å; Q43-R46 PolarHBondContact O-N 2.55Å; Q43-S47 PolarHBondContact NE2-OG 3.48Å; Q43-S47 WeakPolarHBondContact O-CB 3.16Å; Q43-S47 PolarHBondContact O-N 3.07Å; Q43-S47 PolarHBondContact O-OG 3.41Å |
| 44 | F | 82.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.1 | -44.9 | 175.6 | -59 | -34.9 | 0 | 0 | 0 | 112.1 | R30 C33 L34 I41 R46 S47 F48 F100 I101 L104 R105 | R30-F44 HydrophobicContact CG-CE1 4.44Å; R30-F44 HydrophobicContact CG-CZ 4.17Å; C33-F44 HydrophobicContact CB-CD1 3.83Å; C33-F44 HydrophobicContact CB-CE1 3.81Å; L34-F44 HydrophobicContact CD2-CE1 3.93Å; L34-F44 HydrophobicContact CD2-CZ 3.91Å; L34-F44 HydrophobicContact CG-CE1 4.04Å; L34-F44 HydrophobicContact CG-CZ 4.17Å; I41-F44 PolarHBondContact O-N 3.43Å; I41-F44 VanDerWaalsContact O-N 3.09Å; F44-R46 VanDerWaalsContact C-N 3.27Å; F44-R46 PolarHBondContact O-N 3.29Å; F44-S47 WeakPolarHBondContact O-CB 3.17Å; F44-S47 PolarHBondContact O-N 2.89Å; F44-S47 VanDerWaalsContact O-N 3.1Å; F44-F48 WeakPolarHBondContact O-CB 3.26Å; F44-F48 PolarHBondContact O-N 2.92Å; F44-F100 HydrophobicContact CB-CE1 4.47Å; F44-F100 WeakPolarHBondContact O-CE1 3.28Å; F44-I101 HydrophobicContact CB-CG1 4.03Å; F44-L104 HydrophobicContact CB-CD1 4.31Å; F44-L104 HydrophobicContact CD1-CB 4.09Å; F44-L104 HydrophobicContact CD1-CD1 3.49Å; F44-L104 VanDerWaalsContact CD1-CD1 3.49Å; F44-L104 HydrophobicContact CD1-CG 4.46Å; F44-L104 HydrophobicContact CD2-CB 4.1Å; F44-L104 HydrophobicContact CE1-CB 4.01Å; F44-L104 HydrophobicContact CE1-CD1 3.94Å; F44-L104 HydrophobicContact CE2-CB 4.02Å; F44-L104 HydrophobicContact CG-CB 4.14Å; F44-L104 HydrophobicContact CG-CD1 3.95Å; F44-L104 HydrophobicContact CZ-CB 3.98Å; F44-R105 HydrophobicContact CE2-CG 4.41Å |
| 45 | A | 83.2 | Confident | 79.7 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I41 R49 I97 I101 | I41-A45 PolarHBondContact O-N 3.43Å; A45-R49 PolarHBondContact O-N 3.49Å; A45-R49 VanDerWaalsContact O-N 3.13Å; A45-I97 HydrophobicContact CB-CD1 4.27Å; A45-I101 HydrophobicContact CB-CD1 4.36Å |
| 46 | R | 85.3 | Confident | 80.3 | Confident | 133 Ų | 133 | 60.1 Ų | 60.1 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 173.5 | -179.7 | 178.6 | -179 | 176.3 | 2.8 | 111.7 | K42 Q43 F44 R49 I50 | K42-R46 WeakPolarHBondContact O-CB 3.21Å; K42-R46 PolarHBondContact O-N 3.46Å; Q43-R46 PolarHBondContact O-N 2.55Å; F44-R46 VanDerWaalsContact C-N 3.27Å; F44-R46 PolarHBondContact O-N 3.29Å; R46-R49 PolarHBondContact O-N 3.46Å; R46-I50 HydrophobicContact CG-CD1 4.04Å; R46-I50 VanDerWaalsContact O-CG1 3.31Å; R46-I50 WeakPolarHBondContact O-CG1 3.13Å; R46-I50 PolarHBondContact O-N 2.86Å; R46-I50 VanDerWaalsContact O-N 3.15Å |
| 47 | S | 88.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 178.4 | -65.3 | 0 | 0 | 0 | 0 | 111 | C33 Q43 F44 R49 I50 M51 F71 | C33-S47 PolarHBondContact SG-OG 3.01Å; C33-S47 VanDerWaalsContact SG-OG 3.4Å; Q43-S47 PolarHBondContact NE2-OG 3.48Å; Q43-S47 WeakPolarHBondContact O-CB 3.16Å; Q43-S47 PolarHBondContact O-N 3.07Å; Q43-S47 PolarHBondContact O-OG 3.41Å; F44-S47 WeakPolarHBondContact O-CB 3.17Å; F44-S47 PolarHBondContact O-N 2.89Å; F44-S47 VanDerWaalsContact O-N 3.1Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 3.08Å; S47-I50 WeakPolarHBondContact O-CB 3.42Å; S47-I50 PolarHBondContact O-N 2.92Å; S47-M51 WeakPolarHBondContact O-CG 3.07Å; S47-M51 PolarHBondContact O-N 2.73Å; S47-M51 VanDerWaalsContact O-N 3.1Å; S47-F71 VanDerWaalsContact OG-CE2 3.31Å; S47-F71 WeakPolarHBondContact OG-CE2 2.93Å |
| 48 | F | 90 | Very high | 82.1 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.3 | -51.9 | 174.8 | -176.7 | -90.1 | 0 | 0 | 0 | 111.4 | F44 I50 M51 D52 H57 V59 I95 D96 I97 F100 | F44-F48 WeakPolarHBondContact O-CB 3.26Å; F44-F48 PolarHBondContact O-N 2.92Å; F48-I50 PolarHBondContact O-N 2.91Å; F48-I50 VanDerWaalsContact O-N 3.15Å; F48-M51 PolarHBondContact O-N 2.85Å; F48-D52 HydrophobicContact CE1-CB 4.32Å; F48-D52 WeakPolarHBondContact O-CB 3.47Å; F48-D52 PolarHBondContact O-N 3.4Å; F48-H57 WeakPolarHBondContact CZ-O 3.47Å; F48-V59 HydrophobicContact CD2-CG2 3.83Å; F48-V59 HydrophobicContact CE1-CG2 4.27Å; F48-V59 HydrophobicContact CE2-CB 4.2Å; F48-V59 HydrophobicContact CE2-CG2 3.46Å; F48-V59 VanDerWaalsContact CE2-CG2 3.46Å; F48-V59 HydrophobicContact CG-CG2 4.39Å; F48-V59 HydrophobicContact CZ-CG2 3.71Å; F48-I95 HydrophobicContact CE2-CG2 4.4Å; F48-I95 WeakPolarHBondContact CE2-O 3.46Å; F48-D96 VanDerWaalsContact CE2-C 3.4Å; F48-D96 WeakPolarHBondContact CE2-O 3.29Å; F48-I97 HydrophobicContact CD1-CB 4.13Å; F48-I97 HydrophobicContact CD1-CD1 4.36Å; F48-I97 HydrophobicContact CD1-CG1 4.15Å; F48-I97 HydrophobicContact CD2-CB 4.48Å; F48-I97 HydrophobicContact CE1-CB 4.02Å; F48-I97 HydrophobicContact CE2-CB 4.35Å; F48-I97 HydrophobicContact CG-CB 4.35Å; F48-I97 HydrophobicContact CG-CG1 4.19Å; F48-I97 HydrophobicContact CZ-CB 4.13Å; F48-F100 HydrophobicContact CB-CD1 3.89Å; F48-F100 HydrophobicContact CB-CE1 4.11Å; F48-F100 HydrophobicContact CB-CG 4.45Å; F48-F100 HydrophobicContact CD2-CB 3.67Å; F48-F100 HydrophobicContact CD2-CD1 4.07Å; F48-F100 HydrophobicContact CD2-CD2 4.28Å; F48-F100 AromaticContact CD2-CG 3.77Å; F48-F100 HydrophobicContact CD2-CG 3.77Å; F48-F100 HydrophobicContact CE2-CB 4.18Å; F48-F100 HydrophobicContact CG-CD1 4.49Å |
| 49 | R | 89.2 | Confident | 84 | Confident | 175 Ų | 175 | 63.6 Ų | 63.6 | 66% | 0.66 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.8 | -23 | 178.5 | -171.5 | -179.6 | 62.9 | 179.5 | -2.2 | 114.3 | A45 R46 S47 | A45-R49 PolarHBondContact O-N 3.49Å; A45-R49 VanDerWaalsContact O-N 3.13Å; R46-R49 PolarHBondContact O-N 3.46Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 3.08Å |
| 50 | I | 89.7 | Confident | 85.8 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 40% | 0.395 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -79.5 | -31.7 | 174.4 | -68.7 | 163.5 | 0 | 0 | 0 | 110.5 | R46 S47 F48 F71 | R46-I50 HydrophobicContact CG-CD1 4.04Å; R46-I50 VanDerWaalsContact O-CG1 3.31Å; R46-I50 WeakPolarHBondContact O-CG1 3.13Å; R46-I50 PolarHBondContact O-N 2.86Å; R46-I50 VanDerWaalsContact O-N 3.15Å; S47-I50 WeakPolarHBondContact O-CB 3.42Å; S47-I50 PolarHBondContact O-N 2.92Å; F48-I50 PolarHBondContact O-N 2.91Å; F48-I50 VanDerWaalsContact O-N 3.15Å; I50-F71 HydrophobicContact CB-CE1 4.4Å; I50-F71 HydrophobicContact CB-CZ 4.45Å; I50-F71 HydrophobicContact CD1-CZ 4.48Å; I50-F71 HydrophobicContact CG2-CE1 3.89Å; I50-F71 HydrophobicContact CG2-CZ 4.42Å |
| 51 | M | 92 | Very high | 87.3 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -79.5 | -34.3 | 177.6 | -57.8 | -171.5 | 178.4 | 0 | 0 | 112.2 | L29 S47 F48 D53 V59 E63 F64 V68 F71 F100 | L29-M51 HydrophobicContact CD1-CE 4.16Å; S47-M51 WeakPolarHBondContact O-CG 3.07Å; S47-M51 PolarHBondContact O-N 2.73Å; S47-M51 VanDerWaalsContact O-N 3.1Å; F48-M51 PolarHBondContact O-N 2.85Å; M51-D53 VanDerWaalsContact C-N 3.28Å; M51-D53 PolarHBondContact O-N 3.3Å; M51-V59 HydrophobicContact CB-CG1 4.15Å; M51-V59 HydrophobicContact CB-CG2 4.15Å; M51-E63 WeakPolarHBondContact O-CB 3.43Å; M51-F64 HydrophobicContact SD-CD2 4.13Å; M51-F64 HydrophobicContact SD-CE2 4.48Å; M51-V68 HydrophobicContact CE-CG2 4.27Å; M51-F71 HydrophobicContact CE-CD1 4.31Å; M51-F71 HydrophobicContact CE-CD2 3.77Å; M51-F71 HydrophobicContact CE-CE1 4.3Å; M51-F71 HydrophobicContact CE-CE2 3.74Å; M51-F71 HydrophobicContact CE-CG 4.06Å; M51-F71 HydrophobicContact CE-CZ 4.02Å; M51-F100 HydrophobicContact CE-CZ 4.22Å; M51-F100 HydrophobicContact SD-CE2 3.97Å; M51-F100 HydrophobicContact SD-CZ 4.08Å |
| 52 | D | 92.9 | Very high | 88.7 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | trans | -70.8 | 80.2 | 175.1 | -180 | 11.5 | 0 | 0 | 0 | 110.7 | F48 S54 K55 D56 H57 V59 | F48-D52 HydrophobicContact CE1-CB 4.32Å; F48-D52 WeakPolarHBondContact O-CB 3.47Å; F48-D52 PolarHBondContact O-N 3.4Å; D52-S54 VanDerWaalsContact C-N 3.34Å; D52-S54 PolarHBondContact OD1-OG 3.31Å; D52-K55 WeakPolarHBondContact OD1-CA 3.14Å; D52-K55 PolarHBondContact OD1-N 2.99Å; D52-K55 WeakPolarHBondContact OD2-CA 3.35Å; D52-D56 PolarHBondContact OD1-N 3.5Å; D52-H57 VanDerWaalsContact OD2-CA 3.27Å; D52-H57 WeakPolarHBondContact OD2-CA 3.3Å; D52-H57 PolarHBondContact OD2-N 3.43Å; D52-V59 HydrophobicContact CB-CG2 4Å | ||
| 53 | D | 90.6 | Very high | 89.9 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -66.8 | -38 | 177.8 | -82 | -34.7 | 0 | 0 | 0 | 111 | M51 K55 E63 K66 | M51-D53 VanDerWaalsContact C-N 3.28Å; M51-D53 PolarHBondContact O-N 3.3Å; D53-K55 VanDerWaalsContact C-N 3.3Å; D53-K55 PolarHBondContact O-N 3.27Å; D53-E63 HydrophobicContact CB-CG 4.34Å; D53-E63 PolarHBondContact N-OE1 3.14Å; D53-K66 IonicContact OD1-NZ 2.92Å; D53-K66 PolarHBondContact OD1-NZ 3.28Å; D53-K66 WeakPolarHBondContact OD2-CD 3.4Å; D53-K66 IonicContact OD2-NZ 3.65Å; D53-K66 PolarHBondContact OD2-NZ 2.99Å |
| 54 | S | 91.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -71.3 | -23.9 | -178.9 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | D52 D56 E63 | D52-S54 VanDerWaalsContact C-N 3.34Å; D52-S54 PolarHBondContact OD1-OG 3.31Å; S54-D56 PolarHBondContact O-N 2.92Å; S54-D56 PolarHBondContact OG-N 3.13Å; S54-D56 PolarHBondContact OG-OD1 3.17Å; S54-E63 WeakPolarHBondContact CB-OE1 3.33Å; S54-E63 PolarHBondContact N-OE1 3.19Å; S54-E63 PolarHBondContact OG-OE1 3.18Å |
| 55 | K | 89.9 | Confident | 91.2 | Very high | 167 Ų | 167 | 60.4 Ų | 60.4 | 73% | 0.726 | 30% | 0.303 | S | S | * | . | trans | 60.8 | 30.5 | -175.3 | -54.5 | -179.6 | -176.6 | 174.5 | 0 | 113.3 | D52 D53 H57 | D52-K55 WeakPolarHBondContact OD1-CA 3.14Å; D52-K55 PolarHBondContact OD1-N 2.99Å; D52-K55 WeakPolarHBondContact OD2-CA 3.35Å; D53-K55 VanDerWaalsContact C-N 3.3Å; D53-K55 PolarHBondContact O-N 3.27Å; K55-H57 VanDerWaalsContact C-N 3.29Å | ||
| 56 | D | 92.4 | Very high | 91.6 | Very high | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -92.4 | 7.2 | 175 | 75.4 | -6.8 | 0 | 0 | 0 | 112.6 | D52 S54 K58 | D52-D56 PolarHBondContact OD1-N 3.5Å; S54-D56 PolarHBondContact O-N 2.92Å; S54-D56 PolarHBondContact OG-N 3.13Å; S54-D56 PolarHBondContact OG-OD1 3.17Å; D56-K58 PolarHBondContact O-N 3.32Å; D56-K58 WeakPolarHBondContact OD1-CA 3.38Å; D56-K58 VanDerWaalsContact OD1-CB 3.24Å; D56-K58 WeakPolarHBondContact OD1-CB 3.5Å; D56-K58 PolarHBondContact OD1-N 3.38Å; D56-K58 VanDerWaalsContact OD1-O 3.06Å |
| 57 | H | 89.1 | Confident | 91.9 | Very high | 140 Ų | 140 | 57.2 Ų | 57.2 | 65% | 0.648 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 65.7 | 22.4 | -175.6 | -58 | -64.5 | 0 | 0 | 0 | 114 | F48 D52 K55 | F48-H57 WeakPolarHBondContact CZ-O 3.47Å; D52-H57 VanDerWaalsContact OD2-CA 3.27Å; D52-H57 WeakPolarHBondContact OD2-CA 3.3Å; D52-H57 PolarHBondContact OD2-N 3.43Å; K55-H57 VanDerWaalsContact C-N 3.29Å |
| 58 | K | 93.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141 | 175.5 | -54.7 | 177.8 | 176.4 | -163.2 | 0 | 108.6 | D56 Y94 | D56-K58 PolarHBondContact O-N 3.32Å; D56-K58 WeakPolarHBondContact OD1-CA 3.38Å; D56-K58 VanDerWaalsContact OD1-CB 3.24Å; D56-K58 WeakPolarHBondContact OD1-CB 3.5Å; D56-K58 PolarHBondContact OD1-N 3.38Å; D56-K58 VanDerWaalsContact OD1-O 3.06Å; K58-Y94 HydrophobicContact CB-CD2 3.8Å; K58-Y94 HydrophobicContact CB-CG 3.98Å; K58-Y94 HydrophobicContact CD-CD1 4.05Å; K58-Y94 HydrophobicContact CD-CD2 3.68Å; K58-Y94 HydrophobicContact CD-CE1 4.05Å; K58-Y94 HydrophobicContact CD-CE2 3.69Å; K58-Y94 HydrophobicContact CD-CG 3.87Å; K58-Y94 HydrophobicContact CG-CD2 3.69Å; K58-Y94 HydrophobicContact CG-CE2 3.94Å; K58-Y94 HydrophobicContact CG-CG 4.18Å; K58-Y94 VanDerWaalsContact NZ-CZ 3.33Å; K58-Y94 PolarHBondContact NZ-OH 3.4Å |
| 59 | V | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.5 | 175 | 177.4 | 0 | 0 | 0 | 0 | 107.9 | F48 M51 D52 E63 F64 F84 Y94 I95 | F48-V59 HydrophobicContact CD2-CG2 3.83Å; F48-V59 HydrophobicContact CE1-CG2 4.27Å; F48-V59 HydrophobicContact CE2-CB 4.2Å; F48-V59 HydrophobicContact CE2-CG2 3.46Å; F48-V59 VanDerWaalsContact CE2-CG2 3.46Å; F48-V59 HydrophobicContact CG-CG2 4.39Å; F48-V59 HydrophobicContact CZ-CG2 3.71Å; M51-V59 HydrophobicContact CB-CG1 4.15Å; M51-V59 HydrophobicContact CB-CG2 4.15Å; D52-V59 HydrophobicContact CB-CG2 4Å; V59-E63 HydrophobicContact CG1-CB 3.93Å; V59-F64 HydrophobicContact CG1-CB 3.78Å; V59-F64 HydrophobicContact CG1-CD2 4.3Å; V59-F84 WeakPolarHBondContact O-CE2 2.99Å; V59-Y94 WeakPolarHBondContact O-CA 3.45Å; V59-I95 HydrophobicContact CB-CB 4.44Å; V59-I95 PolarHBondContact N-O 2.96Å; V59-I95 PolarHBondContact O-N 3.15Å |
| 60 | T | 95 | Very high | 92 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 163.3 | 174.2 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | G62 E63 F64 | T60-G62 PolarHBondContact O-N 3.14Å; T60-E63 WeakPolarHBondContact CB-OE2 3.29Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.4Å; T60-E63 PolarHBondContact N-OE2 3Å; T60-E63 PolarHBondContact O-N 3.36Å; T60-E63 VanDerWaalsContact O-N 3.15Å; T60-E63 WeakPolarHBondContact OG1-CG 3.49Å; T60-E63 PolarHBondContact OG1-N 2.96Å; T60-E63 PolarHBondContact OG1-OE2 3.37Å; T60-F64 WeakPolarHBondContact O-CB 3.26Å; T60-F64 PolarHBondContact O-N 3.02Å |
| 61 | L | 94.1 | Very high | 91.9 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 29% | 0.293 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55 | -37.3 | 176.4 | 176.4 | 62.3 | 0 | 0 | 0 | 112.8 | Q65 T81 F84 | L61-Q65 HydrophobicContact CD1-CG 4.19Å; L61-Q65 WeakPolarHBondContact O-CB 3.36Å; L61-Q65 VanDerWaalsContact O-CG 3.26Å; L61-Q65 WeakPolarHBondContact O-CG 3.37Å; L61-Q65 PolarHBondContact O-N 3.48Å; L61-T81 HydrophobicContact CD2-CG2 4.29Å; L61-F84 HydrophobicContact CB-CD1 4.4Å; L61-F84 HydrophobicContact CB-CD2 4.25Å; L61-F84 HydrophobicContact CB-CE1 4.31Å; L61-F84 HydrophobicContact CB-CE2 4.14Å; L61-F84 HydrophobicContact CB-CG 4.37Å; L61-F84 HydrophobicContact CB-CZ 4.16Å; L61-F84 HydrophobicContact CD1-CB 3.65Å; L61-F84 HydrophobicContact CD1-CD1 4.1Å; L61-F84 HydrophobicContact CD1-CD2 3.97Å; L61-F84 HydrophobicContact CD1-CG 3.63Å |
| 62 | G | 93.3 | Very high | 91.5 | Very high | 46 Ų | 46 | 55 Ų | 55 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T60 Q65 K66 | T60-G62 PolarHBondContact O-N 3.14Å; G62-Q65 PolarHBondContact O-N 3.35Å; G62-K66 PolarHBondContact O-N 2.84Å |
| 63 | E | 94.6 | Very high | 91 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 9% | 0.093 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 174.8 | -75.9 | 168.3 | 138.1 | 0 | 0 | 111.6 | M51 D53 S54 V59 T60 K66 G67 | M51-E63 WeakPolarHBondContact O-CB 3.43Å; D53-E63 HydrophobicContact CB-CG 4.34Å; D53-E63 PolarHBondContact N-OE1 3.14Å; S54-E63 WeakPolarHBondContact CB-OE1 3.33Å; S54-E63 PolarHBondContact N-OE1 3.19Å; S54-E63 PolarHBondContact OG-OE1 3.18Å; V59-E63 HydrophobicContact CG1-CB 3.93Å; T60-E63 WeakPolarHBondContact CB-OE2 3.29Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.4Å; T60-E63 PolarHBondContact N-OE2 3Å; T60-E63 PolarHBondContact O-N 3.36Å; T60-E63 VanDerWaalsContact O-N 3.15Å; T60-E63 WeakPolarHBondContact OG1-CG 3.49Å; T60-E63 PolarHBondContact OG1-N 2.96Å; T60-E63 PolarHBondContact OG1-OE2 3.37Å; E63-K66 PolarHBondContact O-N 2.86Å; E63-G67 PolarHBondContact O-N 3.41Å |
| 64 | F | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 174.9 | -171.2 | -109.5 | 0 | 0 | 0 | 111.3 | L29 M51 V59 T60 K66 G67 V68 T80 L83 F84 I87 I95 F100 | L29-F64 HydrophobicContact CD2-CE2 3.87Å; L29-F64 HydrophobicContact CD2-CZ 3.72Å; M51-F64 HydrophobicContact SD-CD2 4.13Å; M51-F64 HydrophobicContact SD-CE2 4.48Å; V59-F64 HydrophobicContact CG1-CB 3.78Å; V59-F64 HydrophobicContact CG1-CD2 4.3Å; T60-F64 WeakPolarHBondContact O-CB 3.26Å; T60-F64 PolarHBondContact O-N 3.02Å; F64-K66 VanDerWaalsContact C-N 3.32Å; F64-K66 PolarHBondContact O-N 2.9Å; F64-G67 PolarHBondContact O-N 3.48Å; F64-V68 HydrophobicContact CD1-CG2 3.97Å; F64-V68 HydrophobicContact CD2-CG2 3.97Å; F64-V68 HydrophobicContact CE1-CG2 3.74Å; F64-V68 HydrophobicContact CE2-CG2 3.74Å; F64-V68 HydrophobicContact CG-CG2 4.08Å; F64-V68 HydrophobicContact CZ-CG2 3.61Å; F64-V68 VanDerWaalsContact O-CB 3.24Å; F64-V68 WeakPolarHBondContact O-CB 3.46Å; F64-V68 WeakPolarHBondContact O-CG2 3.48Å; F64-V68 PolarHBondContact O-N 2.92Å; F64-T80 HydrophobicContact CD1-CG2 3.51Å; F64-T80 HydrophobicContact CE1-CG2 3.67Å; F64-L83 HydrophobicContact CE1-CB 4.25Å; F64-L83 HydrophobicContact CE1-CD2 4.08Å; F64-L83 HydrophobicContact CE1-CG 4.04Å; F64-L83 HydrophobicContact CZ-CD2 3.8Å; F64-L83 HydrophobicContact CZ-CG 3.87Å; F64-F84 HydrophobicContact CB-CD2 3.76Å; F64-F84 HydrophobicContact CB-CE2 4.22Å; F64-F84 HydrophobicContact CD1-CB 3.87Å; F64-F84 AromaticContact CD1-CD2 3.87Å; F64-F84 HydrophobicContact CD1-CD2 3.87Å; F64-F84 HydrophobicContact CD1-CG 4.39Å; F64-F84 HydrophobicContact CE1-CB 4.07Å; F64-F84 AromaticContact CG-CD2 3.84Å; F64-F84 HydrophobicContact CG-CD2 3.84Å; F64-I87 HydrophobicContact CE2-CD1 3.84Å; F64-I87 HydrophobicContact CZ-CD1 3.58Å; F64-I95 HydrophobicContact CD2-CD1 3.92Å; F64-I95 HydrophobicContact CE2-CD1 4.03Å; F64-I95 HydrophobicContact CG-CD1 4.3Å; F64-I95 HydrophobicContact CZ-CD1 4.5Å; F64-F100 HydrophobicContact CE2-CD2 4.47Å; F64-F100 HydrophobicContact CE2-CE2 4.02Å |
| 65 | Q | 92.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 55 Ų | 55 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 176.6 | -79.5 | 178.3 | -9.9 | 0 | 0 | 112.4 | L61 G62 N69 T80 T81 | L61-Q65 HydrophobicContact CD1-CG 4.19Å; L61-Q65 WeakPolarHBondContact O-CB 3.36Å; L61-Q65 VanDerWaalsContact O-CG 3.26Å; L61-Q65 WeakPolarHBondContact O-CG 3.37Å; L61-Q65 PolarHBondContact O-N 3.48Å; G62-Q65 PolarHBondContact O-N 3.35Å; Q65-N69 WeakPolarHBondContact O-CB 3.32Å; Q65-N69 PolarHBondContact O-N 3.47Å; Q65-N69 PolarHBondContact O-ND2 2.9Å; Q65-T80 HydrophobicContact CB-CG2 4.31Å; Q65-T80 HydrophobicContact CG-CG2 3.67Å; Q65-T81 PolarHBondContact NE2-OG1 2.87Å |
| 66 | K | 92 | Very high | 90.7 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 175.4 | -177.4 | -173.6 | 166.3 | -159 | 0 | 110.9 | D53 G62 E63 F64 V68 N69 D70 | D53-K66 IonicContact OD1-NZ 2.92Å; D53-K66 PolarHBondContact OD1-NZ 3.28Å; D53-K66 WeakPolarHBondContact OD2-CD 3.4Å; D53-K66 IonicContact OD2-NZ 3.65Å; D53-K66 PolarHBondContact OD2-NZ 2.99Å; G62-K66 PolarHBondContact O-N 2.84Å; E63-K66 PolarHBondContact O-N 2.86Å; F64-K66 VanDerWaalsContact C-N 3.32Å; F64-K66 PolarHBondContact O-N 2.9Å; K66-V68 PolarHBondContact O-N 3.42Å; K66-N69 PolarHBondContact O-N 3.44Å; K66-D70 WeakPolarHBondContact O-CB 3.44Å; K66-D70 PolarHBondContact O-N 3.21Å |
| 67 | G | 91.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | E63 F64 N69 D70 F71 | E63-G67 PolarHBondContact O-N 3.41Å; F64-G67 PolarHBondContact O-N 3.48Å; G67-N69 VanDerWaalsContact C-N 3.34Å; G67-D70 PolarHBondContact O-N 3.47Å; G67-F71 WeakPolarHBondContact O-CB 3.36Å; G67-F71 WeakPolarHBondContact O-CD1 3.18Å; G67-F71 WeakPolarHBondContact O-CG 3.27Å; G67-F71 PolarHBondContact O-N 3.2Å |
| 68 | V | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.8 | 169.1 | 0 | 0 | 0 | 0 | 111 | L29 M51 F64 K66 F71 G72 T73 L75 T80 | L29-V68 HydrophobicContact CD1-CG2 4.01Å; L29-V68 HydrophobicContact CD2-CG2 4.37Å; M51-V68 HydrophobicContact CE-CG2 4.27Å; F64-V68 HydrophobicContact CD1-CG2 3.97Å; F64-V68 HydrophobicContact CD2-CG2 3.97Å; F64-V68 HydrophobicContact CE1-CG2 3.74Å; F64-V68 HydrophobicContact CE2-CG2 3.74Å; F64-V68 HydrophobicContact CG-CG2 4.08Å; F64-V68 HydrophobicContact CZ-CG2 3.61Å; F64-V68 VanDerWaalsContact O-CB 3.24Å; F64-V68 WeakPolarHBondContact O-CB 3.46Å; F64-V68 WeakPolarHBondContact O-CG2 3.48Å; F64-V68 PolarHBondContact O-N 2.92Å; K66-V68 PolarHBondContact O-N 3.42Å; V68-F71 WeakPolarHBondContact O-CA 3.17Å; V68-F71 WeakPolarHBondContact O-CB 3.24Å; V68-F71 PolarHBondContact O-N 3.44Å; V68-G72 PolarHBondContact O-N 3.06Å; V68-T73 HydrophobicContact CG1-CG2 4.03Å; V68-T73 WeakPolarHBondContact CG1-OG1 3.49Å; V68-T73 PolarHBondContact O-OG1 3.41Å; V68-L75 HydrophobicContact CG1-CB 4.33Å; V68-L75 HydrophobicContact CG1-CD1 3.85Å; V68-L75 HydrophobicContact CG1-CG 4.29Å; V68-T80 HydrophobicContact CB-CG2 4.21Å; V68-T80 HydrophobicContact CG1-CG2 4.2Å; V68-T80 HydrophobicContact CG2-CG2 4.32Å |
| 69 | N | 89 | Confident | 90.7 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.1 | -46.4 | 175.1 | -79.5 | -45.4 | 0 | 0 | 0 | 112.5 | Q65 K66 G67 F71 G72 | Q65-N69 WeakPolarHBondContact O-CB 3.32Å; Q65-N69 PolarHBondContact O-N 3.47Å; Q65-N69 PolarHBondContact O-ND2 2.9Å; K66-N69 PolarHBondContact O-N 3.44Å; G67-N69 VanDerWaalsContact C-N 3.34Å; N69-F71 PolarHBondContact O-N 2.9Å; N69-F71 VanDerWaalsContact O-N 3.08Å; N69-G72 PolarHBondContact O-N 3.23Å |
| 70 | D | 88.9 | Confident | 90.7 | Very high | 100 Ų | 100 | 52.1 Ų | 52.1 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.2 | -26.5 | 172.5 | -73.5 | -12.4 | 0 | 0 | 0 | 110.7 | R36 K66 G67 G72 | R36-D70 PolarHBondContact NH2-O 2.74Å; K66-D70 WeakPolarHBondContact O-CB 3.44Å; K66-D70 PolarHBondContact O-N 3.21Å; G67-D70 PolarHBondContact O-N 3.47Å; D70-G72 VanDerWaalsContact C-N 3.29Å; D70-G72 PolarHBondContact O-N 2.87Å |
| 71 | F | 86.6 | Confident | 90.6 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.3 | 178.1 | -84.3 | 34.1 | 0 | 0 | 0 | 115 | R36 S47 I50 M51 G67 V68 N69 T73 | R36-F71 PolarHBondContact NH1-O 3.11Å; S47-F71 VanDerWaalsContact OG-CE2 3.31Å; S47-F71 WeakPolarHBondContact OG-CE2 2.93Å; I50-F71 HydrophobicContact CB-CE1 4.4Å; I50-F71 HydrophobicContact CB-CZ 4.45Å; I50-F71 HydrophobicContact CD1-CZ 4.48Å; I50-F71 HydrophobicContact CG2-CE1 3.89Å; I50-F71 HydrophobicContact CG2-CZ 4.42Å; M51-F71 HydrophobicContact CE-CD1 4.31Å; M51-F71 HydrophobicContact CE-CD2 3.77Å; M51-F71 HydrophobicContact CE-CE1 4.3Å; M51-F71 HydrophobicContact CE-CE2 3.74Å; M51-F71 HydrophobicContact CE-CG 4.06Å; M51-F71 HydrophobicContact CE-CZ 4.02Å; G67-F71 WeakPolarHBondContact O-CB 3.36Å; G67-F71 WeakPolarHBondContact O-CD1 3.18Å; G67-F71 WeakPolarHBondContact O-CG 3.27Å; G67-F71 PolarHBondContact O-N 3.2Å; V68-F71 WeakPolarHBondContact O-CA 3.17Å; V68-F71 WeakPolarHBondContact O-CB 3.24Å; V68-F71 PolarHBondContact O-N 3.44Å; N69-F71 PolarHBondContact O-N 2.9Å; N69-F71 VanDerWaalsContact O-N 3.08Å; F71-T73 HydrophobicContact CB-CG2 4.45Å |
| 72 | G | 84.8 | Confident | 90.6 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 23.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q32 V68 N69 D70 N74 | Q32-G72 PolarHBondContact NE2-O 2.85Å; V68-G72 PolarHBondContact O-N 3.06Å; N69-G72 PolarHBondContact O-N 3.23Å; D70-G72 VanDerWaalsContact C-N 3.29Å; D70-G72 PolarHBondContact O-N 2.87Å; G72-N74 PolarHBondContact O-N 2.88Å |
| 73 | T | 81.6 | Confident | 90.6 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | trans | -69.2 | -19.9 | 175.2 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | L29 Q32 V68 F71 L75 | L29-T73 HydrophobicContact CD1-CG2 4.05Å; Q32-T73 HydrophobicContact CB-CG2 3.93Å; Q32-T73 HydrophobicContact CG-CG2 3.71Å; V68-T73 HydrophobicContact CG1-CG2 4.03Å; V68-T73 WeakPolarHBondContact CG1-OG1 3.49Å; V68-T73 PolarHBondContact O-OG1 3.41Å; F71-T73 HydrophobicContact CB-CG2 4.45Å; T73-L75 PolarHBondContact O-N 2.64Å | ||
| 74 | N | 84.3 | Confident | 90.5 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 76% | 0.759 | 26% | 0.263 | S | S | * | . | trans | 53.9 | 34.8 | -176.2 | -58.2 | -34.7 | 0 | 0 | 0 | 113.4 | G72 | G72-N74 PolarHBondContact O-N 2.88Š| ||
| 75 | L | 89.3 | Confident | 90.5 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | trans | -77.2 | 144.4 | 175.7 | -63.5 | -176.2 | 0 | 0 | 0 | 110.8 | T25 K28 V68 T73 E79 T80 L83 | T25-L75 HydrophobicContact CG2-CD1 4.4Å; T25-L75 HydrophobicContact CG2-CD2 3.83Å; K28-L75 HydrophobicContact CD-CD2 3.76Å; V68-L75 HydrophobicContact CG1-CB 4.33Å; V68-L75 HydrophobicContact CG1-CD1 3.85Å; V68-L75 HydrophobicContact CG1-CG 4.29Å; T73-L75 PolarHBondContact O-N 2.64Å; L75-E79 VanDerWaalsContact CA-OE2 3.31Å; L75-E79 WeakPolarHBondContact CA-OE2 3.31Å; L75-E79 HydrophobicContact CB-CB 4.11Å; L75-E79 HydrophobicContact CD2-CB 4.39Å; L75-T80 WeakPolarHBondContact CB-OG1 3.09Å; L75-L83 HydrophobicContact CD1-CD2 3.83Å | ||
| 76 | T | 91.7 | Very high | 90.3 | Very high | 65 Ų | 65 | 58 Ų | 58 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | trans | -69.3 | 167.4 | 170.7 | 82.6 | 0 | 0 | 0 | 0 | 110.8 | E78 E79 T80 | T76-E78 VanDerWaalsContact CB-OE2 3.25Å; T76-E78 WeakPolarHBondContact CB-OE2 3.36Å; T76-E78 PolarHBondContact O-N 3.46Å; T76-E78 PolarHBondContact OG1-N 3.27Å; T76-E78 PolarHBondContact OG1-OE2 3.5Å; T76-E79 PolarHBondContact N-OE2 3.39Å; T76-E79 PolarHBondContact O-N 2.8Å; T76-E79 PolarHBondContact OG1-N 3.23Å; T76-E79 VanDerWaalsContact OG1-N 3.16Å; T76-T80 WeakPolarHBondContact O-CB 3.35Å; T76-T80 PolarHBondContact O-N 2.84Å; T76-T80 PolarHBondContact O-OG1 3.35Å | ||
| 77 | K | 91.1 | Very high | 90.3 | Very high | 145 Ų | 145 | 53.4 Ų | 53.4 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.6 | -39.9 | 175.4 | -71.7 | -175.3 | 177.5 | -176.9 | 0 | 111 | T80 T81 | K77-T80 PolarHBondContact O-N 3.26Å; K77-T81 WeakPolarHBondContact O-CB 3.42Å; K77-T81 PolarHBondContact O-N 3.13Å; K77-T81 PolarHBondContact O-OG1 2.83Å; K77-T81 VanDerWaalsContact O-OG1 3.09Å |
| 78 | E | 92.7 | Very high | 90.4 | Very high | 136 Ų | 136 | 53.6 Ų | 53.6 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.8 | -49 | 178.7 | -57.5 | 69.9 | -149.2 | 0 | 0 | 110.8 | T76 T80 T81 E82 | T76-E78 VanDerWaalsContact CB-OE2 3.25Å; T76-E78 WeakPolarHBondContact CB-OE2 3.36Å; T76-E78 PolarHBondContact O-N 3.46Å; T76-E78 PolarHBondContact OG1-N 3.27Å; T76-E78 PolarHBondContact OG1-OE2 3.5Å; E78-T80 VanDerWaalsContact C-N 3.28Å; E78-T80 PolarHBondContact O-N 3.26Å; E78-T81 PolarHBondContact O-N 3.34Å; E78-E82 WeakPolarHBondContact O-CB 3.32Å; E78-E82 PolarHBondContact O-N 3.43Å |
| 79 | E | 92.9 | Very high | 90.2 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 175.9 | -73.4 | -179.6 | 133.1 | 0 | 0 | 112 | T25 L75 T76 L83 | T25-E79 HydrophobicContact CG2-CB 4.06Å; T25-E79 HydrophobicContact CG2-CG 4.24Å; L75-E79 VanDerWaalsContact CA-OE2 3.31Å; L75-E79 WeakPolarHBondContact CA-OE2 3.31Å; L75-E79 HydrophobicContact CB-CB 4.11Å; L75-E79 HydrophobicContact CD2-CB 4.39Å; T76-E79 PolarHBondContact N-OE2 3.39Å; T76-E79 PolarHBondContact O-N 2.8Å; T76-E79 PolarHBondContact OG1-N 3.23Å; T76-E79 VanDerWaalsContact OG1-N 3.16Å; E79-L83 VanDerWaalsContact O-CB 3.24Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.39Å |
| 80 | T | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73 | -37.6 | -180 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | F64 Q65 V68 L75 T76 K77 E78 L83 F84 | F64-T80 HydrophobicContact CD1-CG2 3.51Å; F64-T80 HydrophobicContact CE1-CG2 3.67Å; Q65-T80 HydrophobicContact CB-CG2 4.31Å; Q65-T80 HydrophobicContact CG-CG2 3.67Å; V68-T80 HydrophobicContact CB-CG2 4.21Å; V68-T80 HydrophobicContact CG1-CG2 4.2Å; V68-T80 HydrophobicContact CG2-CG2 4.32Å; L75-T80 WeakPolarHBondContact CB-OG1 3.09Å; T76-T80 WeakPolarHBondContact O-CB 3.35Å; T76-T80 PolarHBondContact O-N 2.84Å; T76-T80 PolarHBondContact O-OG1 3.35Å; K77-T80 PolarHBondContact O-N 3.26Å; E78-T80 VanDerWaalsContact C-N 3.28Å; E78-T80 PolarHBondContact O-N 3.26Å; T80-L83 PolarHBondContact O-N 3.01Å; T80-F84 WeakPolarHBondContact O-CB 3.39Å; T80-F84 PolarHBondContact O-N 3.32Å |
| 81 | T | 93.8 | Very high | 90.2 | Very high | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 173.3 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | L61 Q65 K77 E78 L83 F84 N85 | L61-T81 HydrophobicContact CD2-CG2 4.29Å; Q65-T81 PolarHBondContact NE2-OG1 2.87Å; K77-T81 WeakPolarHBondContact O-CB 3.42Å; K77-T81 PolarHBondContact O-N 3.13Å; K77-T81 PolarHBondContact O-OG1 2.83Å; K77-T81 VanDerWaalsContact O-OG1 3.09Å; E78-T81 PolarHBondContact O-N 3.34Å; T81-L83 VanDerWaalsContact C-N 3.35Å; T81-F84 WeakPolarHBondContact O-CB 3.49Å; T81-F84 PolarHBondContact O-N 2.8Å; T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 PolarHBondContact O-ND2 2.98Å |
| 82 | E | 93.5 | Very high | 90.5 | Very high | 117 Ų | 117 | 63.1 Ų | 63.1 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.7 | -173.5 | -176.7 | 168.7 | 0 | 0 | 111.3 | E78 F84 N85 R86 | E78-E82 WeakPolarHBondContact O-CB 3.32Å; E78-E82 PolarHBondContact O-N 3.43Å; E82-F84 VanDerWaalsContact C-N 3.34Å; E82-F84 PolarHBondContact O-N 2.73Å; E82-N85 PolarHBondContact O-N 3.37Å; E82-R86 WeakPolarHBondContact O-CG 3.3Å; E82-R86 PolarHBondContact O-N 2.91Å |
| 83 | L | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.4 | -179.1 | 59.9 | 0 | 0 | 0 | 111.7 | M26 L29 F64 L75 E79 T80 T81 R86 I87 | M26-L83 HydrophobicContact CB-CD1 3.95Å; M26-L83 HydrophobicContact CE-CD1 3.57Å; M26-L83 HydrophobicContact CG-CD1 4.45Å; M26-L83 HydrophobicContact SD-CD1 3.71Å; L29-L83 HydrophobicContact CB-CD2 4.08Å; L29-L83 HydrophobicContact CD2-CD2 3.79Å; F64-L83 HydrophobicContact CE1-CB 4.25Å; F64-L83 HydrophobicContact CE1-CD2 4.08Å; F64-L83 HydrophobicContact CE1-CG 4.04Å; F64-L83 HydrophobicContact CZ-CD2 3.8Å; F64-L83 HydrophobicContact CZ-CG 3.87Å; L75-L83 HydrophobicContact CD1-CD2 3.83Å; E79-L83 VanDerWaalsContact O-CB 3.24Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.39Å; T80-L83 PolarHBondContact O-N 3.01Å; T81-L83 VanDerWaalsContact C-N 3.35Å; L83-R86 WeakPolarHBondContact O-CB 3.35Å; L83-R86 PolarHBondContact O-N 3.15Å; L83-I87 HydrophobicContact CD1-CD1 4.17Å; L83-I87 HydrophobicContact CD1-CG1 4.43Å; L83-I87 HydrophobicContact CG-CD1 4.02Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.27Å; L83-I87 PolarHBondContact O-N 2.95Å; L83-I87 VanDerWaalsContact O-N 3.14Å |
| 84 | F | 94.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.2 | -52.3 | 175.8 | -178.4 | -85.9 | 0 | 0 | 0 | 111.1 | V59 L61 F64 T80 T81 E82 R86 I87 D88 I95 | V59-F84 WeakPolarHBondContact O-CE2 2.99Å; L61-F84 HydrophobicContact CB-CD1 4.4Å; L61-F84 HydrophobicContact CB-CD2 4.25Å; L61-F84 HydrophobicContact CB-CE1 4.31Å; L61-F84 HydrophobicContact CB-CE2 4.14Å; L61-F84 HydrophobicContact CB-CG 4.37Å; L61-F84 HydrophobicContact CB-CZ 4.16Å; L61-F84 HydrophobicContact CD1-CB 3.65Å; L61-F84 HydrophobicContact CD1-CD1 4.1Å; L61-F84 HydrophobicContact CD1-CD2 3.97Å; L61-F84 HydrophobicContact CD1-CG 3.63Å; F64-F84 HydrophobicContact CB-CD2 3.76Å; F64-F84 HydrophobicContact CB-CE2 4.22Å; F64-F84 HydrophobicContact CD1-CB 3.87Å; F64-F84 AromaticContact CD1-CD2 3.87Å; F64-F84 HydrophobicContact CD1-CD2 3.87Å; F64-F84 HydrophobicContact CD1-CG 4.39Å; F64-F84 HydrophobicContact CE1-CB 4.07Å; F64-F84 AromaticContact CG-CD2 3.84Å; F64-F84 HydrophobicContact CG-CD2 3.84Å; T80-F84 WeakPolarHBondContact O-CB 3.39Å; T80-F84 PolarHBondContact O-N 3.32Å; T81-F84 WeakPolarHBondContact O-CB 3.49Å; T81-F84 PolarHBondContact O-N 2.8Å; E82-F84 VanDerWaalsContact C-N 3.34Å; E82-F84 PolarHBondContact O-N 2.73Å; F84-R86 PolarHBondContact O-N 2.77Å; F84-I87 PolarHBondContact O-N 3.4Å; F84-D88 HydrophobicContact CD1-CB 4.44Å; F84-D88 HydrophobicContact CE1-CB 4.15Å; F84-D88 PolarHBondContact O-N 3.39Å; F84-I95 HydrophobicContact CD2-CD1 3.34Å; F84-I95 HydrophobicContact CD2-CG1 3.9Å; F84-I95 HydrophobicContact CE2-CB 4.47Å; F84-I95 HydrophobicContact CE2-CD1 3.59Å; F84-I95 HydrophobicContact CE2-CG1 3.65Å; F84-I95 HydrophobicContact CG-CD1 4.04Å; F84-I95 HydrophobicContact CZ-CD1 4.45Å; F84-I95 HydrophobicContact CZ-CG1 4.1Å |
| 85 | N | 92.9 | Very high | 91.8 | Very high | 92 Ų | 92 | 60 Ų | 60 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -24.4 | 178.9 | -63.6 | -16.4 | 0 | 0 | 0 | 112.9 | T81 E82 | T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 PolarHBondContact O-ND2 2.98Å; E82-N85 PolarHBondContact O-N 3.37Å |
| 86 | R | 90.1 | Very high | 91.9 | Very high | 91 Ų | 91 | 61.9 Ų | 61.9 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.8 | -30.3 | 173.3 | -78.9 | 176.3 | 53.9 | -177.9 | -4.5 | 112.7 | D24 M26 E82 L83 F84 K89 | D24-R86 IonicContact OD1-CZ 3.56Å; D24-R86 IonicContact OD1-NH1 2.83Å; D24-R86 PolarHBondContact OD1-NH1 2.66Å; D24-R86 IonicContact OD1-NH2 3.3Å; D24-R86 PolarHBondContact OD1-NH2 3.02Å; M26-R86 HydrophobicContact CE-CB 4.41Å; E82-R86 WeakPolarHBondContact O-CG 3.3Å; E82-R86 PolarHBondContact O-N 2.91Å; L83-R86 WeakPolarHBondContact O-CB 3.35Å; L83-R86 PolarHBondContact O-N 3.15Å; F84-R86 PolarHBondContact O-N 2.77Å; R86-K89 WeakPolarHBondContact O-CE 3.28Å; R86-K89 PolarHBondContact O-NZ 2.75Å |
| 87 | I | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -85 | -46.9 | -178.2 | -61.7 | 167.1 | 0 | 0 | 0 | 110.3 | M26 L29 F64 L83 F84 K89 I95 E99 A103 | M26-I87 HydrophobicContact CE-CD1 4.36Å; M26-I87 HydrophobicContact CE-CG1 3.65Å; M26-I87 HydrophobicContact SD-CD1 4.19Å; M26-I87 HydrophobicContact SD-CG1 4.04Å; L29-I87 HydrophobicContact CD2-CD1 4.4Å; F64-I87 HydrophobicContact CE2-CD1 3.84Å; F64-I87 HydrophobicContact CZ-CD1 3.58Å; L83-I87 HydrophobicContact CD1-CD1 4.17Å; L83-I87 HydrophobicContact CD1-CG1 4.43Å; L83-I87 HydrophobicContact CG-CD1 4.02Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.27Å; L83-I87 PolarHBondContact O-N 2.95Å; L83-I87 VanDerWaalsContact O-N 3.14Å; F84-I87 PolarHBondContact O-N 3.4Å; I87-K89 WeakPolarHBondContact O-CG 3.46Å; I87-K89 PolarHBondContact O-N 3.48Å; I87-I95 HydrophobicContact CB-CD1 3.73Å; I87-I95 HydrophobicContact CB-CG1 4.11Å; I87-I95 HydrophobicContact CD1-CD1 4.05Å; I87-I95 HydrophobicContact CG1-CD1 4.48Å; I87-I95 HydrophobicContact CG2-CB 4.34Å; I87-I95 HydrophobicContact CG2-CD1 3.71Å; I87-I95 HydrophobicContact CG2-CG1 3.81Å; I87-I95 HydrophobicContact CG2-CG2 3.56Å; I87-E99 HydrophobicContact CG2-CB 4.24Å; I87-A103 HydrophobicContact CB-CB 4.15Å; I87-A103 HydrophobicContact CG1-CB 3.7Å; I87-A103 HydrophobicContact CG2-CB 3.81Å |
| 88 | D | 92.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | trans | -63.6 | 93.7 | 174.8 | 179.6 | -0.4 | 0 | 0 | 0 | 109.2 | F84 D90 N91 N92 G93 I95 | F84-D88 HydrophobicContact CD1-CB 4.44Å; F84-D88 HydrophobicContact CE1-CB 4.15Å; F84-D88 PolarHBondContact O-N 3.39Å; D88-D90 VanDerWaalsContact OD1-OD1 3.07Å; D88-N91 WeakPolarHBondContact OD1-CA 3.27Å; D88-N91 PolarHBondContact OD1-N 3.46Å; D88-N92 PolarHBondContact OD1-N 3.3Å; D88-G93 WeakPolarHBondContact OD2-CA 3.43Å; D88-G93 PolarHBondContact OD2-N 3.26Å; D88-I95 HydrophobicContact CB-CG1 4.31Å | ||
| 89 | K | 87.1 | Confident | 91.1 | Very high | 131 Ų | 131 | 54.4 Ų | 54.4 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -81.4 | -34.7 | -172.7 | -72.2 | -48.5 | -170.8 | -165.7 | 0 | 111.5 | R86 I87 N91 E99 | R86-K89 WeakPolarHBondContact O-CE 3.28Å; R86-K89 PolarHBondContact O-NZ 2.75Å; I87-K89 WeakPolarHBondContact O-CG 3.46Å; I87-K89 PolarHBondContact O-N 3.48Å; K89-N91 PolarHBondContact O-ND2 3.04Å; K89-E99 PolarHBondContact N-OE1 2.92Å |
| 90 | D | 89.5 | Confident | 90.9 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -88.3 | -7.4 | -179.3 | 74.2 | -0.2 | 0 | 0 | 0 | 113 | D88 N92 E99 | D88-D90 VanDerWaalsContact OD1-OD1 3.07Å; D90-N92 VanDerWaalsContact C-N 3.26Å; D90-N92 PolarHBondContact O-N 3.15Å; D90-N92 WeakPolarHBondContact OD1-CB 3.33Å; D90-N92 PolarHBondContact OD1-N 3.32Å; D90-N92 PolarHBondContact OD1-ND2 3.46Å; D90-N92 PolarHBondContact OD2-ND2 2.86Å; D90-E99 PolarHBondContact N-OE1 3.44Å |
| 91 | N | 89.7 | Confident | 90.4 | Very high | 122 Ų | 122 | 52.5 Ų | 52.5 | 65% | 0.652 | 27% | 0.27 | S | S | * | . | trans | 59.1 | 33.7 | -178.7 | -58.8 | -91.7 | 0 | 0 | 0 | 112.7 | D88 K89 G93 | D88-N91 WeakPolarHBondContact OD1-CA 3.27Å; D88-N91 PolarHBondContact OD1-N 3.46Å; K89-N91 PolarHBondContact O-ND2 3.04Å; N91-G93 PolarHBondContact O-N 2.89Å | ||
| 92 | N | 91.9 | Very high | 89.6 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -77.5 | -8 | 178.1 | 70.9 | 30.3 | 0 | 0 | 0 | 112.7 | D88 D90 Y94 | D88-N92 PolarHBondContact OD1-N 3.3Å; D90-N92 VanDerWaalsContact C-N 3.26Å; D90-N92 PolarHBondContact O-N 3.15Å; D90-N92 WeakPolarHBondContact OD1-CB 3.33Å; D90-N92 PolarHBondContact OD1-N 3.32Å; D90-N92 PolarHBondContact OD1-ND2 3.46Å; D90-N92 PolarHBondContact OD2-ND2 2.86Å; N92-Y94 HydrophobicContact CB-CD1 4.43Å; N92-Y94 HydrophobicContact CB-CE1 3.94Å; N92-Y94 VanDerWaalsContact CG-CE1 3.44Å; N92-Y94 WeakPolarHBondContact ND2-CE2 3.41Å; N92-Y94 PolarHBondContact ND2-OH 3.29Å; N92-Y94 WeakPolarHBondContact OD1-CD1 3.47Å; N92-Y94 VanDerWaalsContact OD1-CD2 3.27Å; N92-Y94 WeakPolarHBondContact OD1-CD2 3.43Å; N92-Y94 VanDerWaalsContact OD1-CE1 3.31Å; N92-Y94 WeakPolarHBondContact OD1-CE1 3.41Å; N92-Y94 WeakPolarHBondContact OD1-CE2 3.23Å; N92-Y94 PolarHBondContact OD1-N 2.7Å; N92-Y94 PolarHBondContact OD1-O 2.84Å |
| 93 | G | 91.3 | Very high | 89.1 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 45% | 0.454 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 90.2 | 7.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D88 N91 | D88-G93 WeakPolarHBondContact OD2-CA 3.43Å; D88-G93 PolarHBondContact OD2-N 3.26Å; N91-G93 PolarHBondContact O-N 2.89Å |
| 94 | Y | 93.4 | Very high | 88.6 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 27% | 0.271 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 154.1 | 172.5 | 56.7 | -96.3 | 0 | 0 | 0 | 110.1 | K58 V59 N92 | K58-Y94 HydrophobicContact CB-CD2 3.8Å; K58-Y94 HydrophobicContact CB-CG 3.98Å; K58-Y94 HydrophobicContact CD-CD1 4.05Å; K58-Y94 HydrophobicContact CD-CD2 3.68Å; K58-Y94 HydrophobicContact CD-CE1 4.05Å; K58-Y94 HydrophobicContact CD-CE2 3.69Å; K58-Y94 HydrophobicContact CD-CG 3.87Å; K58-Y94 HydrophobicContact CG-CD2 3.69Å; K58-Y94 HydrophobicContact CG-CE2 3.94Å; K58-Y94 HydrophobicContact CG-CG 4.18Å; K58-Y94 VanDerWaalsContact NZ-CZ 3.33Å; K58-Y94 PolarHBondContact NZ-OH 3.4Å; V59-Y94 WeakPolarHBondContact O-CA 3.45Å; N92-Y94 HydrophobicContact CB-CD1 4.43Å; N92-Y94 HydrophobicContact CB-CE1 3.94Å; N92-Y94 VanDerWaalsContact CG-CE1 3.44Å; N92-Y94 WeakPolarHBondContact ND2-CE2 3.41Å; N92-Y94 PolarHBondContact ND2-OH 3.29Å; N92-Y94 WeakPolarHBondContact OD1-CD1 3.47Å; N92-Y94 VanDerWaalsContact OD1-CD2 3.27Å; N92-Y94 WeakPolarHBondContact OD1-CD2 3.43Å; N92-Y94 VanDerWaalsContact OD1-CE1 3.31Å; N92-Y94 WeakPolarHBondContact OD1-CE1 3.41Å; N92-Y94 WeakPolarHBondContact OD1-CE2 3.23Å; N92-Y94 PolarHBondContact OD1-N 2.7Å; N92-Y94 PolarHBondContact OD1-O 2.84Å |
| 95 | I | 93.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.5 | 172.6 | -66.2 | 166.3 | 0 | 0 | 0 | 108 | F48 V59 F64 F84 I87 D88 E99 F100 | F48-I95 HydrophobicContact CE2-CG2 4.4Å; F48-I95 WeakPolarHBondContact CE2-O 3.46Å; V59-I95 HydrophobicContact CB-CB 4.44Å; V59-I95 PolarHBondContact N-O 2.96Å; V59-I95 PolarHBondContact O-N 3.15Å; F64-I95 HydrophobicContact CD2-CD1 3.92Å; F64-I95 HydrophobicContact CE2-CD1 4.03Å; F64-I95 HydrophobicContact CG-CD1 4.3Å; F64-I95 HydrophobicContact CZ-CD1 4.5Å; F84-I95 HydrophobicContact CD2-CD1 3.34Å; F84-I95 HydrophobicContact CD2-CG1 3.9Å; F84-I95 HydrophobicContact CE2-CB 4.47Å; F84-I95 HydrophobicContact CE2-CD1 3.59Å; F84-I95 HydrophobicContact CE2-CG1 3.65Å; F84-I95 HydrophobicContact CG-CD1 4.04Å; F84-I95 HydrophobicContact CZ-CD1 4.45Å; F84-I95 HydrophobicContact CZ-CG1 4.1Å; I87-I95 HydrophobicContact CB-CD1 3.73Å; I87-I95 HydrophobicContact CB-CG1 4.11Å; I87-I95 HydrophobicContact CD1-CD1 4.05Å; I87-I95 HydrophobicContact CG1-CD1 4.48Å; I87-I95 HydrophobicContact CG2-CB 4.34Å; I87-I95 HydrophobicContact CG2-CD1 3.71Å; I87-I95 HydrophobicContact CG2-CG1 3.81Å; I87-I95 HydrophobicContact CG2-CG2 3.56Å; D88-I95 HydrophobicContact CB-CG1 4.31Å; I95-E99 WeakPolarHBondContact CA-OE2 3.4Å; I95-E99 HydrophobicContact CG2-CB 4.15Å; I95-F100 HydrophobicContact CG2-CB 3.69Å; I95-F100 HydrophobicContact CG2-CD2 4.16Å; I95-F100 HydrophobicContact CG2-CG 4.44Å |
| 96 | D | 92 | Very high | 86.3 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 171 | 168.4 | 73.8 | 48 | 0 | 0 | 0 | 112.5 | F48 D98 E99 F100 | F48-D96 VanDerWaalsContact CE2-C 3.4Å; F48-D96 WeakPolarHBondContact CE2-O 3.29Å; D96-D98 VanDerWaalsContact C-N 3.26Å; D96-D98 PolarHBondContact O-N 2.66Å; D96-D98 WeakPolarHBondContact OD1-CA 3.27Å; D96-D98 WeakPolarHBondContact OD1-CB 3.29Å; D96-D98 PolarHBondContact OD1-N 3.06Å; D96-E99 PolarHBondContact N-OE2 3.01Å; D96-E99 VanDerWaalsContact N-OE2 3.11Å; D96-E99 PolarHBondContact OD1-N 3.31Å; D96-F100 WeakPolarHBondContact O-CB 3.4Å; D96-F100 PolarHBondContact O-N 2.95Å |
| 97 | I | 87.1 | Confident | 84.7 | Confident | 62 Ų | 62 | 43.1 Ų | 43.1 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.2 | -34.1 | -176.6 | -169.1 | 168.3 | 0 | 0 | 0 | 112.5 | A45 F48 I101 | A45-I97 HydrophobicContact CB-CD1 4.27Å; F48-I97 HydrophobicContact CD1-CB 4.13Å; F48-I97 HydrophobicContact CD1-CD1 4.36Å; F48-I97 HydrophobicContact CD1-CG1 4.15Å; F48-I97 HydrophobicContact CD2-CB 4.48Å; F48-I97 HydrophobicContact CE1-CB 4.02Å; F48-I97 HydrophobicContact CE2-CB 4.35Å; F48-I97 HydrophobicContact CG-CB 4.35Å; F48-I97 HydrophobicContact CG-CG1 4.19Å; F48-I97 HydrophobicContact CZ-CB 4.13Å; I97-I101 HydrophobicContact CD1-CD1 4.39Å; I97-I101 HydrophobicContact CG1-CD1 3.79Å; I97-I101 HydrophobicContact CG1-CG1 4.39Å; I97-I101 WeakPolarHBondContact O-CB 3.41Å; I97-I101 WeakPolarHBondContact O-CG1 3.48Å; I97-I101 PolarHBondContact O-N 3.34Å |
| 98 | D | 83.7 | Confident | 82.8 | Confident | 110 Ų | 110 | 47.8 Ų | 47.8 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -73.7 | -47.8 | -177.5 | -67.8 | -34.2 | 0 | 0 | 0 | 109.2 | D96 F100 I101 V102 | D96-D98 VanDerWaalsContact C-N 3.26Å; D96-D98 PolarHBondContact O-N 2.66Å; D96-D98 WeakPolarHBondContact OD1-CA 3.27Å; D96-D98 WeakPolarHBondContact OD1-CB 3.29Å; D96-D98 PolarHBondContact OD1-N 3.06Å; D98-F100 VanDerWaalsContact C-N 3.32Å; D98-F100 PolarHBondContact O-N 2.8Å; D98-I101 PolarHBondContact O-N 2.91Å; D98-V102 VanDerWaalsContact O-CB 3.29Å; D98-V102 WeakPolarHBondContact O-CB 3.49Å; D98-V102 WeakPolarHBondContact O-CG2 3.33Å; D98-V102 PolarHBondContact O-N 2.93Å |
| 99 | E | 87.6 | Confident | 81 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.9 | -46.7 | 173.2 | -70.2 | -176.7 | 131.4 | 0 | 0 | 112.1 | I87 K89 D90 I95 D96 I101 V102 A103 | I87-E99 HydrophobicContact CG2-CB 4.24Å; K89-E99 PolarHBondContact N-OE1 2.92Å; D90-E99 PolarHBondContact N-OE1 3.44Å; I95-E99 WeakPolarHBondContact CA-OE2 3.4Å; I95-E99 HydrophobicContact CG2-CB 4.15Å; D96-E99 PolarHBondContact N-OE2 3.01Å; D96-E99 VanDerWaalsContact N-OE2 3.11Å; D96-E99 PolarHBondContact OD1-N 3.31Å; E99-I101 PolarHBondContact O-N 3.47Å; E99-V102 PolarHBondContact O-N 3.31Å; E99-A103 VanDerWaalsContact O-CB 3.27Å; E99-A103 WeakPolarHBondContact O-CB 3.18Å; E99-A103 PolarHBondContact O-N 3.43Å |
| 100 | F | 87.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 178.6 | -170.7 | -100.7 | 0 | 0 | 0 | 111.8 | L29 F44 F48 M51 F64 I95 D96 D98 L104 | L29-F100 HydrophobicContact CD2-CE2 4.39Å; F44-F100 HydrophobicContact CB-CE1 4.47Å; F44-F100 WeakPolarHBondContact O-CE1 3.28Å; F48-F100 HydrophobicContact CB-CD1 3.89Å; F48-F100 HydrophobicContact CB-CE1 4.11Å; F48-F100 HydrophobicContact CB-CG 4.45Å; F48-F100 HydrophobicContact CD2-CB 3.67Å; F48-F100 HydrophobicContact CD2-CD1 4.07Å; F48-F100 HydrophobicContact CD2-CD2 4.28Å; F48-F100 AromaticContact CD2-CG 3.77Å; F48-F100 HydrophobicContact CD2-CG 3.77Å; F48-F100 HydrophobicContact CE2-CB 4.18Å; F48-F100 HydrophobicContact CG-CD1 4.49Å; M51-F100 HydrophobicContact CE-CZ 4.22Å; M51-F100 HydrophobicContact SD-CE2 3.97Å; M51-F100 HydrophobicContact SD-CZ 4.08Å; F64-F100 HydrophobicContact CE2-CD2 4.47Å; F64-F100 HydrophobicContact CE2-CE2 4.02Å; I95-F100 HydrophobicContact CG2-CB 3.69Å; I95-F100 HydrophobicContact CG2-CD2 4.16Å; I95-F100 HydrophobicContact CG2-CG 4.44Å; D96-F100 WeakPolarHBondContact O-CB 3.4Å; D96-F100 PolarHBondContact O-N 2.95Å; D98-F100 VanDerWaalsContact C-N 3.32Å; D98-F100 PolarHBondContact O-N 2.8Å; F100-L104 HydrophobicContact CD1-CD1 3.82Å; F100-L104 HydrophobicContact CE1-CD1 3.3Å; F100-L104 HydrophobicContact CE1-CG 4.39Å; F100-L104 HydrophobicContact CE2-CD1 4.2Å; F100-L104 HydrophobicContact CG-CD1 4.46Å; F100-L104 HydrophobicContact CZ-CD1 3.53Å; F100-L104 WeakPolarHBondContact O-CB 3.42Å; F100-L104 VanDerWaalsContact O-CG 3.29Å; F100-L104 WeakPolarHBondContact O-CG 3.44Å; F100-L104 PolarHBondContact O-N 2.9Å |
| 101 | I | 82.3 | Confident | 78.4 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -43.9 | -179.7 | -71.9 | 172.9 | 0 | 0 | 0 | 110.5 | F44 A45 I97 D98 E99 L104 R105 | F44-I101 HydrophobicContact CB-CG1 4.03Å; A45-I101 HydrophobicContact CB-CD1 4.36Å; I97-I101 HydrophobicContact CD1-CD1 4.39Å; I97-I101 HydrophobicContact CG1-CD1 3.79Å; I97-I101 HydrophobicContact CG1-CG1 4.39Å; I97-I101 WeakPolarHBondContact O-CB 3.41Å; I97-I101 WeakPolarHBondContact O-CG1 3.48Å; I97-I101 PolarHBondContact O-N 3.34Å; D98-I101 PolarHBondContact O-N 2.91Å; E99-I101 PolarHBondContact O-N 3.47Å; I101-L104 PolarHBondContact O-N 3.44Å; I101-R105 HydrophobicContact CG2-CG 4.18Å; I101-R105 VanDerWaalsContact O-CB 3.3Å; I101-R105 WeakPolarHBondContact O-CB 3.3Å; I101-R105 WeakPolarHBondContact O-CG 3.48Å; I101-R105 PolarHBondContact O-N 2.89Å |
| 102 | V | 78.6 | Confident | 77.8 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 179.4 | 167 | 0 | 0 | 0 | 0 | 110.5 | D98 E99 L104 R105 A106 I172 | D98-V102 VanDerWaalsContact O-CB 3.29Å; D98-V102 WeakPolarHBondContact O-CB 3.49Å; D98-V102 WeakPolarHBondContact O-CG2 3.33Å; D98-V102 PolarHBondContact O-N 2.93Å; E99-V102 PolarHBondContact O-N 3.31Å; V102-L104 VanDerWaalsContact C-N 3.35Å; V102-L104 PolarHBondContact O-N 3.33Å; V102-R105 PolarHBondContact O-N 2.85Å; V102-R105 VanDerWaalsContact O-N 3.15Å; V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 2.8Å; V102-I172 HydrophobicContact CB-CG2 4.23Å; V102-I172 HydrophobicContact CG1-CG2 3.5Å; V102-I172 VanDerWaalsContact CG1-CG2 3.5Å; V102-I172 HydrophobicContact CG2-CG2 3.82Å |
| 103 | A | 83.2 | Confident | 77.5 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | M26 I87 E99 R105 A106 S107 | M26-A103 HydrophobicContact CE-CB 3.87Å; M26-A103 HydrophobicContact SD-CB 3.89Å; I87-A103 HydrophobicContact CB-CB 4.15Å; I87-A103 HydrophobicContact CG1-CB 3.7Å; I87-A103 HydrophobicContact CG2-CB 3.81Å; E99-A103 VanDerWaalsContact O-CB 3.27Å; E99-A103 WeakPolarHBondContact O-CB 3.18Å; E99-A103 PolarHBondContact O-N 3.43Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.01Å; A103-A106 PolarHBondContact O-N 3.42Å; A103-S107 PolarHBondContact O-N 3.01Å |
| 104 | L | 81.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.3 | -26 | 176.9 | -67.6 | -173.9 | 0 | 0 | 0 | 113.1 | M26 L29 R30 F44 F100 I101 V102 | M26-L104 HydrophobicContact SD-CD2 4.05Å; L29-L104 HydrophobicContact CB-CD2 4.28Å; L29-L104 HydrophobicContact CD2-CD2 3.89Å; L29-L104 HydrophobicContact CG-CD2 3.83Å; R30-L104 HydrophobicContact CB-CD2 4.24Å; R30-L104 WeakPolarHBondContact CD-O 3.33Å; R30-L104 PolarHBondContact NH1-O 3.18Å; F44-L104 HydrophobicContact CB-CD1 4.31Å; F44-L104 HydrophobicContact CD1-CB 4.09Å; F44-L104 HydrophobicContact CD1-CD1 3.49Å; F44-L104 VanDerWaalsContact CD1-CD1 3.49Å; F44-L104 HydrophobicContact CD1-CG 4.46Å; F44-L104 HydrophobicContact CD2-CB 4.1Å; F44-L104 HydrophobicContact CE1-CB 4.01Å; F44-L104 HydrophobicContact CE1-CD1 3.94Å; F44-L104 HydrophobicContact CE2-CB 4.02Å; F44-L104 HydrophobicContact CG-CB 4.14Å; F44-L104 HydrophobicContact CG-CD1 3.95Å; F44-L104 HydrophobicContact CZ-CB 3.98Å; F100-L104 HydrophobicContact CD1-CD1 3.82Å; F100-L104 HydrophobicContact CE1-CD1 3.3Å; F100-L104 HydrophobicContact CE1-CG 4.39Å; F100-L104 HydrophobicContact CE2-CD1 4.2Å; F100-L104 HydrophobicContact CG-CD1 4.46Å; F100-L104 HydrophobicContact CZ-CD1 3.53Å; F100-L104 WeakPolarHBondContact O-CB 3.42Å; F100-L104 VanDerWaalsContact O-CG 3.29Å; F100-L104 WeakPolarHBondContact O-CG 3.44Å; F100-L104 PolarHBondContact O-N 2.9Å; I101-L104 PolarHBondContact O-N 3.44Å; V102-L104 VanDerWaalsContact C-N 3.35Å; V102-L104 PolarHBondContact O-N 3.33Å |
| 105 | R | 72.7 | Confident | 77.2 | Confident | 31 Ų | 31 | 47 Ų | 47 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.9 | -44.5 | 173.3 | -79.7 | 175 | -176.3 | 175.6 | 7.5 | 111.9 | R30 F44 I101 V102 A103 S107 | R30-R105 PolarHBondContact NH1-O 3.15Å; F44-R105 HydrophobicContact CE2-CG 4.41Å; I101-R105 HydrophobicContact CG2-CG 4.18Å; I101-R105 VanDerWaalsContact O-CB 3.3Å; I101-R105 WeakPolarHBondContact O-CB 3.3Å; I101-R105 WeakPolarHBondContact O-CG 3.48Å; I101-R105 PolarHBondContact O-N 2.89Å; V102-R105 PolarHBondContact O-N 2.85Å; V102-R105 VanDerWaalsContact O-N 3.15Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.01Å; R105-S107 VanDerWaalsContact C-N 3.29Å; R105-S107 PolarHBondContact O-N 3.35Å |
| 106 | A | 65.2 | Low | 77.1 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 60% | 0.603 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70.4 | -21.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V102 A103 T108 | V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 2.8Å; A103-A106 PolarHBondContact O-N 3.42Å; A106-T108 PolarHBondContact O-N 3.19Å |
| 107 | S | 57.8 | Low | 77.1 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -56.8 | 127.4 | 177.8 | -164.1 | 0 | 0 | 0 | 0 | 111 | E27 A103 R105 T109 | E27-S107 WeakPolarHBondContact CA-OG 3.15Å; E27-S107 PolarHBondContact N-OG 3.49Å; E27-S107 VanDerWaalsContact OE2-C 3.29Å; E27-S107 WeakPolarHBondContact OE2-CB 3.44Å; E27-S107 PolarHBondContact OE2-OG 2.83Å; A103-S107 PolarHBondContact O-N 3.01Å; R105-S107 VanDerWaalsContact C-N 3.29Å; R105-S107 PolarHBondContact O-N 3.35Å; S107-T109 VanDerWaalsContact C-N 3.33Å; S107-T109 PolarHBondContact O-N 3.02Å |
| 108 | T | 51.3 | Low | 77.4 | Confident | 97 Ų | 97 | 49.2 Ų | 49.2 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | trans | -21.8 | 82.3 | -172.7 | 44.3 | 0 | 0 | 0 | 0 | 114.4 | E27 A106 P110 | E27-T108 PolarHBondContact OE2-N 3.15Å; E27-T108 PolarHBondContact OE2-OG1 3.4Å; A106-T108 PolarHBondContact O-N 3.19Å; T108-P110 WeakPolarHBondContact O-CD 3.22Å | ||
| 109 | T | 54.3 | Low | 77.9 | Confident | 37 Ų | 37 | 44 Ų | 44 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 129.1 | 171.8 | -26.5 | 0 | 0 | 0 | 0 | 106.3 | S107 A190 A194 | S107-T109 VanDerWaalsContact C-N 3.33Å; S107-T109 PolarHBondContact O-N 3.02Å; T109-A190 HydrophobicContact CG2-CB 4.25Å; T109-A190 WeakPolarHBondContact CG2-O 3.48Å; T109-A194 HydrophobicContact CG2-CB 3.83Å |
| 110 | P | 55.5 | Low | 78.2 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -48.9 | 140.6 | 170.2 | -23.9 | 31.5 | 0 | 0 | 0 | 108.7 | T108 M112 | T108-P110 WeakPolarHBondContact O-CD 3.22Å; P110-M112 PolarHBondContact O-N 3.03Å |
| 111 | P | 65.6 | Low | 78.5 | Confident | 128 Ų | 128 | 45 Ų | 45 | 83% | 0.831 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -51 | 118.6 | 179.7 | 19.4 | -30.7 | 0 | 0 | 0 | 108.7 | ||
| 112 | M | 76.9 | Confident | 79.1 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 14% | 0.138 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 143 | 179.1 | -75.6 | -169.5 | -81.5 | 0 | 0 | 109.1 | P110 R116 L117 I120 L186 A190 S193 | P110-M112 PolarHBondContact O-N 3.03Å; M112-R116 HydrophobicContact CB-CB 4.16Å; M112-R116 HydrophobicContact SD-CB 4.38Å; M112-L117 HydrophobicContact CB-CD2 3.99Å; M112-L117 HydrophobicContact CB-CG 4.1Å; M112-L117 HydrophobicContact CE-CD2 3.92Å; M112-I120 HydrophobicContact CE-CD1 3.77Å; M112-I120 HydrophobicContact SD-CD1 3.67Å; M112-L186 HydrophobicContact CE-CD1 3.5Å; M112-L186 VanDerWaalsContact CE-CD1 3.5Å; M112-L186 HydrophobicContact CE-CG 4.07Å; M112-A190 HydrophobicContact CE-CB 3.78Å; M112-A190 HydrophobicContact SD-CB 4.42Å; M112-S193 WeakPolarHBondContact CG-OG 3.42Å; M112-S193 WeakPolarHBondContact SD-CB 3.19Å; M112-S193 PolarHBondContact SD-OG 2.83Å; M112-S193 VanDerWaalsContact SD-OG 3.32Å |
| 113 | S | 86.1 | Confident | 79.9 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 28% | 0.28 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 153.1 | 175.7 | 78.7 | 0 | 0 | 0 | 0 | 110.4 | S115 R116 L117 D199 | S113-S115 PolarHBondContact O-N 3.16Å; S113-S115 VanDerWaalsContact O-N 3.1Å; S113-R116 PolarHBondContact O-N 3.41Å; S113-R116 PolarHBondContact OG-N 3.18Å; S113-L117 PolarHBondContact O-N 3.29Å; S113-L117 VanDerWaalsContact O-N 3.07Å; S113-D199 WeakPolarHBondContact CB-OD2 3.41Å; S113-D199 VanDerWaalsContact OG-CG 3.31Å; S113-D199 PolarHBondContact OG-OD2 2.91Å |
| 114 | Q | 88.2 | Confident | 80.4 | Confident | 125 Ų | 125 | 46.7 Ų | 46.7 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56.7 | -31.5 | 178.5 | -168 | 60.6 | 48.6 | 0 | 0 | 111.8 | L117 N118 | Q114-L117 PolarHBondContact O-N 3.21Å; Q114-N118 PolarHBondContact NE2-OD1 3.22Å; Q114-N118 VanDerWaalsContact O-CB 3.31Å; Q114-N118 WeakPolarHBondContact O-CB 3.47Å; Q114-N118 PolarHBondContact O-N 3.39Å; Q114-N118 PolarHBondContact O-ND2 3.41Å; Q114-N118 PolarHBondContact O-OD1 3.21Å |
| 115 | S | 90.8 | Very high | 80.9 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.6 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | S113 N118 I119 | S113-S115 PolarHBondContact O-N 3.16Å; S113-S115 VanDerWaalsContact O-N 3.1Å; S115-N118 PolarHBondContact O-N 2.63Å; S115-I119 PolarHBondContact O-N 3.09Å; S115-I119 VanDerWaalsContact O-N 3.13Å |
| 116 | R | 91.4 | Very high | 81.9 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 6% | 0.064 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 177.8 | -63.1 | -169.5 | -169 | -153.1 | -2.6 | 111.5 | M112 S113 N118 I119 I120 S193 I196 D197 D199 F202 | M112-R116 HydrophobicContact CB-CB 4.16Å; M112-R116 HydrophobicContact SD-CB 4.38Å; S113-R116 PolarHBondContact O-N 3.41Å; S113-R116 PolarHBondContact OG-N 3.18Å; R116-N118 VanDerWaalsContact C-N 3.29Å; R116-N118 PolarHBondContact O-N 2.97Å; R116-I119 VanDerWaalsContact O-CG2 3.27Å; R116-I119 WeakPolarHBondContact O-CG2 3.35Å; R116-I119 PolarHBondContact O-N 3.3Å; R116-I120 WeakPolarHBondContact O-CB 3.39Å; R116-I120 WeakPolarHBondContact O-CD1 3.2Å; R116-I120 WeakPolarHBondContact O-CG1 3.31Å; R116-I120 PolarHBondContact O-N 3.02Å; R116-S193 WeakPolarHBondContact CD-OG 3.35Å; R116-S193 PolarHBondContact NH1-O 3.44Å; R116-S193 PolarHBondContact NH1-OG 3.17Å; R116-I196 PolarHBondContact NH1-O 3.45Å; R116-I196 PolarHBondContact NH2-O 2.84Å; R116-D197 PolarHBondContact NH2-O 3.46Å; R116-D199 IonicContact CZ-OD1 3.15Å; R116-D199 VanDerWaalsContact CZ-OD1 3.24Å; R116-D199 IonicContact NE-OD1 3.46Å; R116-D199 PolarHBondContact NE-OD1 3.3Å; R116-D199 IonicContact NH2-OD1 3.74Å; R116-D199 PolarHBondContact NH2-OD1 3.31Å; R116-F202 HydrophobicContact CB-CD1 3.9Å; R116-F202 HydrophobicContact CB-CE1 3.85Å; R116-F202 HydrophobicContact CG-CB 4.48Å; R116-F202 HydrophobicContact CG-CD1 3.58Å; R116-F202 HydrophobicContact CG-CE1 4.05Å; R116-F202 HydrophobicContact CG-CG 4.12Å |
| 117 | L | 91.6 | Very high | 83.2 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.7 | -65.4 | 177 | 0 | 0 | 0 | 111.7 | M112 S113 Q114 S121 L186 | M112-L117 HydrophobicContact CB-CD2 3.99Å; M112-L117 HydrophobicContact CB-CG 4.1Å; M112-L117 HydrophobicContact CE-CD2 3.92Å; S113-L117 PolarHBondContact O-N 3.29Å; S113-L117 VanDerWaalsContact O-N 3.07Å; Q114-L117 PolarHBondContact O-N 3.21Å; L117-S121 WeakPolarHBondContact O-CB 3.3Å; L117-S121 PolarHBondContact O-N 2.9Å; L117-L186 HydrophobicContact CD2-CD1 3.68Å |
| 118 | N | 93.5 | Very high | 84.9 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 178.7 | -70.6 | -11.3 | 0 | 0 | 0 | 111.7 | Q114 S115 R116 S121 M122 | Q114-N118 PolarHBondContact NE2-OD1 3.22Å; Q114-N118 VanDerWaalsContact O-CB 3.31Å; Q114-N118 WeakPolarHBondContact O-CB 3.47Å; Q114-N118 PolarHBondContact O-N 3.39Å; Q114-N118 PolarHBondContact O-ND2 3.41Å; Q114-N118 PolarHBondContact O-OD1 3.21Å; S115-N118 PolarHBondContact O-N 2.63Å; R116-N118 VanDerWaalsContact C-N 3.29Å; R116-N118 PolarHBondContact O-N 2.97Å; N118-S121 PolarHBondContact O-N 2.85Å; N118-M122 VanDerWaalsContact O-CG 3.32Å; N118-M122 WeakPolarHBondContact O-CG 3.48Å; N118-M122 PolarHBondContact O-N 3.33Å |
| 119 | I | 94.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -34.7 | -178.8 | -164 | 66.4 | 0 | 0 | 0 | 112.3 | S115 R116 M122 A123 F202 M206 R207 L212 | S115-I119 PolarHBondContact O-N 3.09Å; S115-I119 VanDerWaalsContact O-N 3.13Å; R116-I119 VanDerWaalsContact O-CG2 3.27Å; R116-I119 WeakPolarHBondContact O-CG2 3.35Å; R116-I119 PolarHBondContact O-N 3.3Å; I119-M122 HydrophobicContact CD1-SD 4.15Å; I119-M122 PolarHBondContact O-N 3.32Å; I119-A123 PolarHBondContact O-N 2.93Å; I119-F202 HydrophobicContact CG2-CD1 3.98Å; I119-F202 HydrophobicContact CG2-CE1 3.82Å; I119-M206 HydrophobicContact CB-CB 4.49Å; I119-M206 HydrophobicContact CG1-CB 3.55Å; I119-M206 HydrophobicContact CG1-CG 4.32Å; I119-M206 HydrophobicContact CG2-CB 4.11Å; I119-M206 HydrophobicContact CG2-CG 3.96Å; I119-R207 HydrophobicContact CD1-CG 3.88Å; I119-L212 HydrophobicContact CD1-CD1 3.52Å; I119-L212 HydrophobicContact CG1-CD1 4.06Å |
| 120 | I | 93.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 172 | -65 | 162.2 | 0 | 0 | 0 | 109.9 | M112 R116 M122 A123 F124 F185 L186 Y189 F202 M206 | M112-I120 HydrophobicContact CE-CD1 3.77Å; M112-I120 HydrophobicContact SD-CD1 3.67Å; R116-I120 WeakPolarHBondContact O-CB 3.39Å; R116-I120 WeakPolarHBondContact O-CD1 3.2Å; R116-I120 WeakPolarHBondContact O-CG1 3.31Å; R116-I120 PolarHBondContact O-N 3.02Å; I120-M122 VanDerWaalsContact C-N 3.3Å; I120-M122 PolarHBondContact O-N 3.21Å; I120-A123 WeakPolarHBondContact O-CB 3.48Å; I120-A123 PolarHBondContact O-N 2.95Å; I120-F124 PolarHBondContact O-N 3.35Å; I120-F185 HydrophobicContact CG2-CD1 3.74Å; I120-F185 HydrophobicContact CG2-CE1 3.92Å; I120-L186 HydrophobicContact CD1-CD1 4.08Å; I120-L186 HydrophobicContact CG2-CD1 4.02Å; I120-Y189 HydrophobicContact CD1-CG 4.41Å; I120-Y189 HydrophobicContact CG1-CD2 4.45Å; I120-Y189 HydrophobicContact CG1-CG 4.1Å; I120-Y189 HydrophobicContact CG2-CD2 4.18Å; I120-F202 HydrophobicContact CD1-CE1 4.02Å; I120-F202 HydrophobicContact CD1-CZ 3.92Å; I120-F202 HydrophobicContact CG1-CE1 3.93Å; I120-F202 HydrophobicContact CG1-CZ 4Å; I120-M206 HydrophobicContact CB-CE 4.33Å; I120-M206 HydrophobicContact CG1-CE 3.86Å |
| 121 | S | 93.6 | Very high | 90 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -34.4 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | L117 N118 K125 | L117-S121 WeakPolarHBondContact O-CB 3.3Å; L117-S121 PolarHBondContact O-N 2.9Å; N118-S121 PolarHBondContact O-N 2.85Å; S121-K125 WeakPolarHBondContact O-CB 3.1Å; S121-K125 VanDerWaalsContact O-CG 3.28Å; S121-K125 WeakPolarHBondContact O-CG 3.35Å; S121-K125 PolarHBondContact O-N 3.1Å |
| 122 | M | 94.4 | Very high | 91.3 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 41% | 0.409 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 173.9 | -74.6 | 176.5 | 65.5 | 0 | 0 | 111.7 | N118 I119 I120 K126 L212 | N118-M122 VanDerWaalsContact O-CG 3.32Å; N118-M122 WeakPolarHBondContact O-CG 3.48Å; N118-M122 PolarHBondContact O-N 3.33Å; I119-M122 HydrophobicContact CD1-SD 4.15Å; I119-M122 PolarHBondContact O-N 3.32Å; I120-M122 VanDerWaalsContact C-N 3.3Å; I120-M122 PolarHBondContact O-N 3.21Å; M122-K126 PolarHBondContact O-N 3.1Å; M122-K126 VanDerWaalsContact O-N 3.12Å; M122-L212 HydrophobicContact CB-CD1 4.09Å; M122-L212 HydrophobicContact CB-CD2 4.47Å |
| 123 | A | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I119 I120 K125 K126 L127 F185 M206 W210 L212 | I119-A123 PolarHBondContact O-N 2.93Å; I120-A123 WeakPolarHBondContact O-CB 3.48Å; I120-A123 PolarHBondContact O-N 2.95Å; A123-K125 PolarHBondContact O-N 3.01Å; A123-K126 WeakPolarHBondContact O-CB 3.47Å; A123-K126 PolarHBondContact O-N 3.31Å; A123-K126 VanDerWaalsContact O-N 3.14Å; A123-L127 WeakPolarHBondContact O-CG 3.28Å; A123-L127 PolarHBondContact O-N 2.82Å; A123-F185 HydrophobicContact CB-CE1 4.01Å; A123-F185 HydrophobicContact CB-CZ 4.01Å; A123-M206 HydrophobicContact CB-CE 3.81Å; A123-W210 HydrophobicContact CB-CB 4.16Å; A123-W210 HydrophobicContact CB-CD2 4.21Å; A123-W210 HydrophobicContact CB-CG 3.65Å; A123-L212 HydrophobicContact CB-CD1 4.13Å |
| 124 | F | 94.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -51.6 | 178.1 | -171.2 | -86.9 | 0 | 0 | 0 | 111.8 | I120 K126 L127 D128 G133 I135 K182 F185 | I120-F124 PolarHBondContact O-N 3.35Å; F124-K126 PolarHBondContact O-N 3.49Å; F124-L127 PolarHBondContact O-N 3.34Å; F124-D128 HydrophobicContact CD1-CB 4.23Å; F124-D128 HydrophobicContact CE1-CB 3.92Å; F124-D128 PolarHBondContact O-N 3.39Å; F124-G133 VanDerWaalsContact CZ-O 3.28Å; F124-G133 WeakPolarHBondContact CZ-O 3.31Å; F124-I135 HydrophobicContact CD2-CD1 3.47Å; F124-I135 VanDerWaalsContact CD2-CD1 3.47Å; F124-I135 HydrophobicContact CD2-CG1 4.14Å; F124-I135 HydrophobicContact CE2-CD1 3.45Å; F124-I135 VanDerWaalsContact CE2-CD1 3.45Å; F124-I135 HydrophobicContact CE2-CG1 3.71Å; F124-I135 HydrophobicContact CG-CD1 4.21Å; F124-I135 HydrophobicContact CZ-CD1 4.18Å; F124-I135 HydrophobicContact CZ-CG1 3.94Å; F124-K182 HydrophobicContact CD1-CG 4.49Å; F124-K182 HydrophobicContact CD2-CB 4.45Å; F124-K182 HydrophobicContact CE1-CB 4.18Å; F124-K182 VanDerWaalsContact CE2-CA 3.42Å; F124-K182 HydrophobicContact CE2-CB 4.04Å; F124-K182 HydrophobicContact CG-CG 4.48Å; F124-K182 HydrophobicContact CZ-CB 3.88Å; F124-F185 HydrophobicContact CB-CD1 4.04Å; F124-F185 HydrophobicContact CB-CE1 4.08Å; F124-F185 HydrophobicContact CD2-CB 3.7Å; F124-F185 AromaticContact CD2-CD1 3.86Å; F124-F185 HydrophobicContact CD2-CD1 3.86Å; F124-F185 HydrophobicContact CD2-CD2 4.3Å; F124-F185 AromaticContact CD2-CG 3.72Å; F124-F185 HydrophobicContact CD2-CG 3.72Å; F124-F185 HydrophobicContact CE2-CB 4.05Å; F124-F185 HydrophobicContact CE2-CG 4.45Å; F124-F185 HydrophobicContact CG-CD1 4.46Å |
| 125 | K | 93.4 | Very high | 92.5 | Very high | 150 Ų | 150 | 47.7 Ų | 47.7 | 65% | 0.652 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.6 | -24.7 | 178.3 | -74.7 | 178.5 | 179.8 | -175.4 | 0 | 114.1 | S121 A123 | S121-K125 WeakPolarHBondContact O-CB 3.1Å; S121-K125 VanDerWaalsContact O-CG 3.28Å; S121-K125 WeakPolarHBondContact O-CG 3.35Å; S121-K125 PolarHBondContact O-N 3.1Å; A123-K125 PolarHBondContact O-N 3.01Å |
| 126 | K | 92.7 | Very high | 92.6 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.9 | -36 | 175.4 | 174.6 | 173.4 | 178.4 | 176 | 0 | 111.2 | M122 A123 F124 K129 W210 K211 L212 | M122-K126 PolarHBondContact O-N 3.1Å; M122-K126 VanDerWaalsContact O-N 3.12Å; A123-K126 WeakPolarHBondContact O-CB 3.47Å; A123-K126 PolarHBondContact O-N 3.31Å; A123-K126 VanDerWaalsContact O-N 3.14Å; F124-K126 PolarHBondContact O-N 3.49Å; K126-K129 WeakPolarHBondContact O-CE 3.46Å; K126-K129 PolarHBondContact O-NZ 2.87Å; K126-W210 WeakPolarHBondContact CD-O 3.24Å; K126-W210 WeakPolarHBondContact CE-O 3.47Å; K126-W210 PolarHBondContact NZ-O 3.09Å; K126-K211 PolarHBondContact NZ-O 3.5Å; K126-L212 HydrophobicContact CB-CD2 4.08Å; K126-L212 HydrophobicContact CD-CD2 3.68Å |
| 127 | L | 92.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -79.8 | -51.7 | -178.2 | -62.3 | 171.1 | 0 | 0 | 0 | 110.8 | A123 F124 K129 I135 D139 M140 V143 Y144 F185 W210 | A123-L127 WeakPolarHBondContact O-CG 3.28Å; A123-L127 PolarHBondContact O-N 2.82Å; F124-L127 PolarHBondContact O-N 3.34Å; L127-K129 WeakPolarHBondContact O-CG 3.44Å; L127-K129 PolarHBondContact O-N 3.23Å; L127-I135 HydrophobicContact CB-CD1 3.63Å; L127-I135 HydrophobicContact CB-CG1 3.88Å; L127-I135 HydrophobicContact CB-CG2 4.09Å; L127-I135 HydrophobicContact CD1-CD1 3.7Å; L127-I135 HydrophobicContact CG-CD1 4.32Å; L127-D139 WeakPolarHBondContact O-CB 3.48Å; L127-M140 HydrophobicContact CD2-SD 3.95Å; L127-V143 HydrophobicContact CD2-CG1 4.38Å; L127-V143 HydrophobicContact CD2-CG2 4.47Å; L127-Y144 HydrophobicContact CD2-CE2 3.72Å; L127-F185 HydrophobicContact CD1-CE2 3.75Å; L127-F185 HydrophobicContact CD1-CZ 3.95Å; L127-W210 HydrophobicContact CD1-CD2 4.4Å; L127-W210 HydrophobicContact CD1-CE3 3.82Å; L127-W210 HydrophobicContact CD1-CH2 3.52Å; L127-W210 HydrophobicContact CD1-CZ2 4.12Å; L127-W210 HydrophobicContact CD1-CZ3 3.37Å; L127-W210 HydrophobicContact CD2-CE3 3.85Å; L127-W210 HydrophobicContact CD2-CZ3 3.61Å; L127-W210 HydrophobicContact CG-CE3 4.16Å; L127-W210 HydrophobicContact CG-CZ3 4.01Å |
| 128 | D | 93.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | trans | -61.7 | 93 | 174.3 | 175.1 | 6.6 | 0 | 0 | 0 | 109.8 | F124 N130 G131 D132 G133 I135 | F124-D128 HydrophobicContact CD1-CB 4.23Å; F124-D128 HydrophobicContact CE1-CB 3.92Å; F124-D128 PolarHBondContact O-N 3.39Å; D128-N130 PolarHBondContact OD1-OD1 3.5Å; D128-G131 WeakPolarHBondContact OD1-CA 3.27Å; D128-G131 PolarHBondContact OD1-N 3.43Å; D128-D132 PolarHBondContact OD1-N 3.03Å; D128-G133 WeakPolarHBondContact OD2-CA 3.44Å; D128-G133 PolarHBondContact OD2-N 3.43Å; D128-I135 HydrophobicContact CB-CG1 4.31Å | ||
| 129 | K | 88.6 | Confident | 92.5 | Very high | 119 Ų | 119 | 44 Ų | 44 | 52% | 0.517 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -84.9 | -36.1 | -171 | -80.1 | -61.7 | 179.4 | -168 | 0 | 111.9 | K126 L127 G131 D139 V143 | K126-K129 WeakPolarHBondContact O-CE 3.46Å; K126-K129 PolarHBondContact O-NZ 2.87Å; L127-K129 WeakPolarHBondContact O-CG 3.44Å; L127-K129 PolarHBondContact O-N 3.23Å; K129-G131 VanDerWaalsContact C-N 3.31Å; K129-D139 PolarHBondContact N-OD1 2.9Å; K129-V143 HydrophobicContact CD-CG2 4.3Å; K129-V143 HydrophobicContact CG-CG2 4.01Å |
| 130 | N | 90.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 44.1 Ų | 44.1 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -80.5 | -16.5 | 178 | 66.8 | 3.3 | 0 | 0 | 0 | 112.1 | D128 D132 D139 | D128-N130 PolarHBondContact OD1-OD1 3.5Å; N130-D132 VanDerWaalsContact C-N 3.35Å; N130-D132 PolarHBondContact ND2-OD2 3.28Å; N130-D132 PolarHBondContact OD1-N 2.79Å; N130-D132 PolarHBondContact OD1-OD1 3.45Å; N130-D132 VanDerWaalsContact OD1-OD1 3.13Å; N130-D132 PolarHBondContact OD1-OD2 3.41Å; N130-D139 PolarHBondContact N-OD1 3.39Å |
| 131 | G | 90.4 | Very high | 92 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | trans | 75.1 | 23 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D128 K129 G133 | D128-G131 WeakPolarHBondContact OD1-CA 3.27Å; D128-G131 PolarHBondContact OD1-N 3.43Å; K129-G131 VanDerWaalsContact C-N 3.31Å; G131-G133 VanDerWaalsContact C-N 3.26Å | ||
| 132 | D | 92.5 | Very high | 91.6 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -82.4 | -5.1 | -178.3 | 72 | 5.6 | 0 | 0 | 0 | 113.2 | D128 N130 V134 | D128-D132 PolarHBondContact OD1-N 3.03Å; N130-D132 VanDerWaalsContact C-N 3.35Å; N130-D132 PolarHBondContact ND2-OD2 3.28Å; N130-D132 PolarHBondContact OD1-N 2.79Å; N130-D132 PolarHBondContact OD1-OD1 3.45Å; N130-D132 VanDerWaalsContact OD1-OD1 3.13Å; N130-D132 PolarHBondContact OD1-OD2 3.41Å; D132-V134 WeakPolarHBondContact OD1-CG2 3.04Å; D132-V134 PolarHBondContact OD1-N 2.98Å |
| 133 | G | 91.7 | Very high | 91.2 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 90.2 | 5.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F124 D128 G131 | F124-G133 VanDerWaalsContact CZ-O 3.28Å; F124-G133 WeakPolarHBondContact CZ-O 3.31Å; D128-G133 WeakPolarHBondContact OD2-CA 3.44Å; D128-G133 PolarHBondContact OD2-N 3.43Å; G131-G133 VanDerWaalsContact C-N 3.26Å |
| 134 | V | 93.1 | Very high | 91 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 162.2 | 172.2 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | D132 T136 I179 V180 T181 | D132-V134 WeakPolarHBondContact OD1-CG2 3.04Å; D132-V134 PolarHBondContact OD1-N 2.98Å; V134-T136 HydrophobicContact CG2-CG2 4.18Å; V134-I179 HydrophobicContact CB-CG2 3.49Å; V134-I179 VanDerWaalsContact CB-CG2 3.49Å; V134-I179 HydrophobicContact CG1-CG2 3.77Å; V134-I179 HydrophobicContact CG2-CG2 3.68Å; V134-V180 CarbonylContact C-O 3.49Å; V134-V180 WeakPolarHBondContact CA-O 3.13Å; V134-T181 HydrophobicContact CG1-CG2 4.3Å |
| 135 | I | 92.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.7 | 173.9 | -57.7 | 163.1 | 0 | 0 | 0 | 108.3 | F124 L127 D128 D139 M140 L167 V180 F185 | F124-I135 HydrophobicContact CD2-CD1 3.47Å; F124-I135 VanDerWaalsContact CD2-CD1 3.47Å; F124-I135 HydrophobicContact CD2-CG1 4.14Å; F124-I135 HydrophobicContact CE2-CD1 3.45Å; F124-I135 VanDerWaalsContact CE2-CD1 3.45Å; F124-I135 HydrophobicContact CE2-CG1 3.71Å; F124-I135 HydrophobicContact CG-CD1 4.21Å; F124-I135 HydrophobicContact CZ-CD1 4.18Å; F124-I135 HydrophobicContact CZ-CG1 3.94Å; L127-I135 HydrophobicContact CB-CD1 3.63Å; L127-I135 HydrophobicContact CB-CG1 3.88Å; L127-I135 HydrophobicContact CB-CG2 4.09Å; L127-I135 HydrophobicContact CD1-CD1 3.7Å; L127-I135 HydrophobicContact CG-CD1 4.32Å; D128-I135 HydrophobicContact CB-CG1 4.31Å; I135-D139 HydrophobicContact CG2-CB 4.36Å; I135-M140 HydrophobicContact CG2-CG 4.2Å; I135-M140 HydrophobicContact CG2-SD 4.12Å; I135-L167 HydrophobicContact CB-CD2 4.47Å; I135-L167 HydrophobicContact CG2-CD2 3.75Å; I135-V180 HydrophobicContact CB-CB 4.26Å; I135-V180 PolarHBondContact N-O 3.39Å; I135-V180 PolarHBondContact O-N 2.99Å; I135-F185 HydrophobicContact CD1-CD2 4.09Å; I135-F185 HydrophobicContact CD1-CE2 4.25Å |
| 136 | T | 92.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 18% | 0.184 | 29% | 0.288 | C | S | . | . | trans | -115.1 | 170.3 | 178.1 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | V134 S138 D139 M140 L167 I179 | V134-T136 HydrophobicContact CG2-CG2 4.18Å; T136-S138 PolarHBondContact O-N 3.04Å; T136-S138 PolarHBondContact OG1-N 3.18Å; T136-D139 WeakPolarHBondContact CB-OD2 3.4Å; T136-D139 PolarHBondContact N-OD2 2.81Å; T136-D139 WeakPolarHBondContact O-CB 3.45Å; T136-D139 PolarHBondContact O-N 3.18Å; T136-D139 VanDerWaalsContact O-N 3.11Å; T136-D139 PolarHBondContact OG1-N 2.74Å; T136-D139 PolarHBondContact OG1-OD2 3.49Å; T136-M140 WeakPolarHBondContact O-CG 3.48Å; T136-M140 PolarHBondContact O-N 3.21Å; T136-M140 VanDerWaalsContact O-N 3.12Å; T136-L167 VanDerWaalsContact C-CD1 3.48Å; T136-I179 HydrophobicContact CG2-CG1 4.42Å; T136-I179 HydrophobicContact CG2-CG2 4.48Å | ||
| 137 | A | 91.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -29.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M140 K141 E160 F163 L167 | A137-M140 PolarHBondContact O-N 2.78Å; A137-K141 WeakPolarHBondContact O-CG 3.09Å; A137-K141 PolarHBondContact O-N 2.84Å; A137-E160 HydrophobicContact CB-CG 4.42Å; A137-F163 HydrophobicContact CB-CB 3.91Å; A137-L167 HydrophobicContact CB-CD1 4.46Å |
| 138 | S | 90.7 | Very high | 90.3 | Very high | 90 Ų | 90 | 53 Ų | 53 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.5 | -38.9 | 176.4 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | T136 M140 K141 G142 | T136-S138 PolarHBondContact O-N 3.04Å; T136-S138 PolarHBondContact OG1-N 3.18Å; S138-M140 VanDerWaalsContact C-N 3.35Å; S138-K141 PolarHBondContact O-N 2.92Å; S138-G142 PolarHBondContact O-N 3.03Å |
| 139 | D | 91.7 | Very high | 90 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.032 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 174.4 | -64.7 | -64.6 | 0 | 0 | 0 | 111.1 | L127 K129 N130 I135 T136 K141 G142 V143 | L127-D139 WeakPolarHBondContact O-CB 3.48Å; K129-D139 PolarHBondContact N-OD1 2.9Å; N130-D139 PolarHBondContact N-OD1 3.39Å; I135-D139 HydrophobicContact CG2-CB 4.36Å; T136-D139 WeakPolarHBondContact CB-OD2 3.4Å; T136-D139 PolarHBondContact N-OD2 2.81Å; T136-D139 WeakPolarHBondContact O-CB 3.45Å; T136-D139 PolarHBondContact O-N 3.18Å; T136-D139 VanDerWaalsContact O-N 3.11Å; T136-D139 PolarHBondContact OG1-N 2.74Å; T136-D139 PolarHBondContact OG1-OD2 3.49Å; D139-K141 PolarHBondContact O-N 2.88Å; D139-G142 WeakPolarHBondContact O-CA 3.42Å; D139-G142 PolarHBondContact O-N 2.84Å; D139-V143 WeakPolarHBondContact O-CG2 3.15Å |
| 140 | M | 89.7 | Confident | 90.2 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 178.1 | -68.1 | -62.9 | -65.9 | 0 | 0 | 112.9 | L127 I135 T136 A137 S138 G142 V143 Y144 F163 F166 L167 | L127-M140 HydrophobicContact CD2-SD 3.95Å; I135-M140 HydrophobicContact CG2-CG 4.2Å; I135-M140 HydrophobicContact CG2-SD 4.12Å; T136-M140 WeakPolarHBondContact O-CG 3.48Å; T136-M140 PolarHBondContact O-N 3.21Å; T136-M140 VanDerWaalsContact O-N 3.12Å; A137-M140 PolarHBondContact O-N 2.78Å; S138-M140 VanDerWaalsContact C-N 3.35Å; M140-G142 PolarHBondContact O-N 3.35Å; M140-V143 PolarHBondContact O-N 3.2Å; M140-Y144 HydrophobicContact CE-CD2 3.52Å; M140-Y144 HydrophobicContact CE-CE2 3.87Å; M140-Y144 PolarHBondContact O-N 3.11Å; M140-Y144 HydrophobicContact SD-CD2 4.32Å; M140-Y144 HydrophobicContact SD-CE2 4.49Å; M140-F163 HydrophobicContact CB-CB 4.21Å; M140-F163 HydrophobicContact CB-CD1 3.53Å; M140-F163 HydrophobicContact CB-CD2 4.17Å; M140-F163 HydrophobicContact CB-CE1 3.84Å; M140-F163 HydrophobicContact CB-CE2 4.43Å; M140-F163 HydrophobicContact CB-CG 3.72Å; M140-F163 HydrophobicContact CB-CZ 4.27Å; M140-F163 HydrophobicContact CE-CD1 4.18Å; M140-F163 HydrophobicContact CE-CE1 4.38Å; M140-F163 HydrophobicContact CG-CD1 4.31Å; M140-F166 HydrophobicContact CE-CD1 3.46Å; M140-F166 VanDerWaalsContact CE-CD1 3.46Å; M140-F166 HydrophobicContact CE-CE1 3.41Å; M140-F166 VanDerWaalsContact CE-CE1 3.41Å; M140-F166 HydrophobicContact CE-CG 4.48Å; M140-F166 HydrophobicContact CE-CZ 4.42Å; M140-F166 HydrophobicContact SD-CD1 4.46Å; M140-F166 HydrophobicContact SD-CE1 4.3Å; M140-L167 HydrophobicContact CG-CD1 4.35Å; M140-L167 HydrophobicContact CG-CD2 4.04Å; M140-L167 HydrophobicContact CG-CG 4.35Å; M140-L167 HydrophobicContact SD-CD2 4.39Å |
| 141 | K | 88.7 | Confident | 90.3 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.1 | -33.5 | 172.5 | -76.3 | 173.3 | -178.8 | 176.4 | 0 | 112.4 | A137 S138 D139 V143 E159 F163 | A137-K141 WeakPolarHBondContact O-CG 3.09Å; A137-K141 PolarHBondContact O-N 2.84Å; S138-K141 PolarHBondContact O-N 2.92Å; D139-K141 PolarHBondContact O-N 2.88Å; K141-V143 VanDerWaalsContact C-N 3.3Å; K141-V143 PolarHBondContact O-N 2.81Å; K141-E159 HydrophobicContact CD-CG 4.48Å; K141-E159 WeakPolarHBondContact CE-OE2 3.38Å; K141-E159 HydrophobicContact CG-CG 4.1Å; K141-F163 HydrophobicContact CB-CE2 4.15Å; K141-F163 HydrophobicContact CG-CD2 3.73Å; K141-F163 HydrophobicContact CG-CE2 3.39Å; K141-F163 HydrophobicContact CG-CZ 4.47Å |
| 142 | G | 84.9 | Confident | 90.4 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 57% | 0.567 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S138 D139 M140 | S138-G142 PolarHBondContact O-N 3.03Å; D139-G142 WeakPolarHBondContact O-CA 3.42Å; D139-G142 PolarHBondContact O-N 2.84Å; M140-G142 PolarHBondContact O-N 3.35Å |
| 143 | V | 86.3 | Confident | 90.4 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -37.7 | -175 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | L127 K129 D139 M140 K141 | L127-V143 HydrophobicContact CD2-CG1 4.38Å; L127-V143 HydrophobicContact CD2-CG2 4.47Å; K129-V143 HydrophobicContact CD-CG2 4.3Å; K129-V143 HydrophobicContact CG-CG2 4.01Å; D139-V143 WeakPolarHBondContact O-CG2 3.15Å; M140-V143 PolarHBondContact O-N 3.2Å; K141-V143 VanDerWaalsContact C-N 3.3Å; K141-V143 PolarHBondContact O-N 2.81Å |
| 144 | Y | 89.1 | Confident | 90.5 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | trans | -127.1 | 156.5 | -171.1 | -64.8 | -74.6 | 0 | 0 | 0 | 111.7 | L127 M140 W210 | L127-Y144 HydrophobicContact CD2-CE2 3.72Å; M140-Y144 HydrophobicContact CE-CD2 3.52Å; M140-Y144 HydrophobicContact CE-CE2 3.87Å; M140-Y144 PolarHBondContact O-N 3.11Å; M140-Y144 HydrophobicContact SD-CD2 4.32Å; M140-Y144 HydrophobicContact SD-CE2 4.49Å; Y144-W210 HydrophobicContact CE2-CZ3 4.33Å; Y144-W210 VanDerWaalsContact OH-CE3 3.3Å | ||
| 145 | S | 90 | Very high | 90.3 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 60% | 0.601 | 37% | 0.37 | S | S | * | . | trans | -119.5 | 131.4 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | L147 | S145-L147 WeakPolarHBondContact OG-CG 3.36Š| ||
| 146 | V | 89.4 | Confident | 90.4 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.048 | 40% | 0.401 | C | S | . | . | trans | -88.3 | 0 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | G148 H149 Y152 E159 I162 F163 | V146-G148 PolarHBondContact O-N 2.86Å; V146-H149 HydrophobicContact CB-CB 4.43Å; V146-H149 VanDerWaalsContact O-CB 3.26Å; V146-H149 WeakPolarHBondContact O-CB 3.4Å; V146-H149 PolarHBondContact O-N 3.3Å; V146-Y152 HydrophobicContact CB-CD2 4.48Å; V146-Y152 HydrophobicContact CB-CG 4.36Å; V146-Y152 HydrophobicContact CG2-CD1 4.19Å; V146-Y152 HydrophobicContact CG2-CD2 3.63Å; V146-Y152 HydrophobicContact CG2-CE1 4.4Å; V146-Y152 HydrophobicContact CG2-CE2 3.84Å; V146-Y152 HydrophobicContact CG2-CG 3.8Å; V146-Y152 WeakPolarHBondContact O-CB 3.46Å; V146-E159 HydrophobicContact CB-CG 4.42Å; V146-E159 HydrophobicContact CG1-CG 3.96Å; V146-E159 HydrophobicContact CG2-CB 3.68Å; V146-E159 HydrophobicContact CG2-CG 3.58Å; V146-I162 HydrophobicContact CB-CD1 4.2Å; V146-I162 HydrophobicContact CG1-CB 4.23Å; V146-I162 HydrophobicContact CG1-CD1 4.37Å; V146-I162 HydrophobicContact CG1-CG2 3.91Å; V146-F163 HydrophobicContact CG1-CD1 4.5Å; V146-F163 HydrophobicContact CG1-CD2 4.48Å; V146-F163 HydrophobicContact CG1-CE1 3.91Å; V146-F163 HydrophobicContact CG1-CE2 3.88Å; V146-F163 HydrophobicContact CG1-CZ 3.59Å | ||
| 147 | L | 89 | Confident | 90.3 | Very high | 118 Ų | 118 | 64.8 Ų | 64.8 | 62% | 0.618 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.4 | -172.8 | -65.6 | 177.9 | 0 | 0 | 0 | 113.8 | S145 Y152 V153 | S145-L147 WeakPolarHBondContact OG-CG 3.36Å; L147-Y152 HydrophobicContact CD2-CD1 4.43Å; L147-Y152 HydrophobicContact CD2-CE1 3.66Å; L147-V153 WeakPolarHBondContact O-CG2 3.42Å |
| 148 | G | 88.9 | Confident | 90.3 | Very high | 71 Ų | 71 | 68 Ų | 68 | 73% | 0.732 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 0.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V146 | V146-G148 PolarHBondContact O-N 2.86Š|
| 149 | H | 88.9 | Confident | 90.4 | Very high | 64 Ų | 64 | 66.5 Ų | 66.5 | 30% | 0.296 | 40% | 0.4 | S | S | . | . | trans | -76.2 | 128.2 | -177.8 | -169.9 | -90.4 | 0 | 0 | 0 | 110.4 | V146 K151 Y152 V153 I162 | V146-H149 HydrophobicContact CB-CB 4.43Å; V146-H149 VanDerWaalsContact O-CB 3.26Å; V146-H149 WeakPolarHBondContact O-CB 3.4Å; V146-H149 PolarHBondContact O-N 3.3Å; H149-K151 VanDerWaalsContact C-N 3.34Å; H149-K151 PolarHBondContact ND1-N 3.22Å; H149-K151 PolarHBondContact O-N 2.84Å; H149-Y152 WeakPolarHBondContact O-CB 3.29Å; H149-Y152 PolarHBondContact O-N 2.87Å; H149-V153 WeakPolarHBondContact O-CG2 3.21Å; H149-V153 PolarHBondContact O-N 3.12Å; H149-I162 HydrophobicContact CB-CD1 4.04Å; H149-I162 WeakPolarHBondContact ND1-CD1 3.4Å | ||
| 150 | P | 92.7 | Very high | 90.3 | Very high | 93 Ų | 93 | 71.2 Ų | 71.2 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -53 | -46.3 | -176.2 | -28.6 | 35.1 | 0 | 0 | 0 | 113.7 | Y152 V153 T154 | P150-Y152 VanDerWaalsContact C-N 3.27Å; P150-Y152 PolarHBondContact O-N 2.74Å; P150-V153 PolarHBondContact O-N 3.17Å; P150-T154 WeakPolarHBondContact O-CG2 3.44Å; P150-T154 PolarHBondContact O-N 3.14Å; P150-T154 PolarHBondContact O-OG1 2.9Å; P150-T154 VanDerWaalsContact O-OG1 3.1Å |
| 151 | K | 91.2 | Very high | 90.3 | Very high | 57 Ų | 57 | 74.9 Ų | 74.9 | 25% | 0.248 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.1 | -26.9 | 178.8 | -58.5 | -174 | -173.6 | 170.4 | 0 | 113.7 | H149 T154 G155 E156 A157 E165 | H149-K151 VanDerWaalsContact C-N 3.34Å; H149-K151 PolarHBondContact ND1-N 3.22Å; H149-K151 PolarHBondContact O-N 2.84Å; K151-T154 WeakPolarHBondContact CA-OG1 3.42Å; K151-T154 PolarHBondContact O-OG1 2.83Å; K151-G155 PolarHBondContact O-N 3.35Å; K151-E156 HydrophobicContact CB-CB 4.23Å; K151-E156 PolarHBondContact O-N 2.88Å; K151-A157 HydrophobicContact CB-CB 3.73Å; K151-A157 HydrophobicContact CD-CB 4.24Å; K151-A157 PolarHBondContact O-N 2.96Å; K151-E165 VanDerWaalsContact NZ-CD 3.27Å; K151-E165 IonicContact NZ-OE1 2.93Å; K151-E165 PolarHBondContact NZ-OE1 3.4Å; K151-E165 IonicContact NZ-OE2 2.77Å; K151-E165 PolarHBondContact NZ-OE2 3.33Å |
| 152 | Y | 92.5 | Very high | 90.4 | Very high | 91 Ų | 91 | 71.8 Ų | 71.8 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76.1 | -44.7 | 175.4 | -173.9 | -100.9 | 0 | 0 | 0 | 110.4 | V146 L147 H149 P150 T154 G155 E159 I162 | V146-Y152 HydrophobicContact CB-CD2 4.48Å; V146-Y152 HydrophobicContact CB-CG 4.36Å; V146-Y152 HydrophobicContact CG2-CD1 4.19Å; V146-Y152 HydrophobicContact CG2-CD2 3.63Å; V146-Y152 HydrophobicContact CG2-CE1 4.4Å; V146-Y152 HydrophobicContact CG2-CE2 3.84Å; V146-Y152 HydrophobicContact CG2-CG 3.8Å; V146-Y152 WeakPolarHBondContact O-CB 3.46Å; L147-Y152 HydrophobicContact CD2-CD1 4.43Å; L147-Y152 HydrophobicContact CD2-CE1 3.66Å; H149-Y152 WeakPolarHBondContact O-CB 3.29Å; H149-Y152 PolarHBondContact O-N 2.87Å; P150-Y152 VanDerWaalsContact C-N 3.27Å; P150-Y152 PolarHBondContact O-N 2.74Å; Y152-T154 VanDerWaalsContact C-N 3.32Å; Y152-T154 PolarHBondContact O-N 3.47Å; Y152-G155 PolarHBondContact O-N 3Å; Y152-G155 VanDerWaalsContact O-N 3.09Å; Y152-E159 HydrophobicContact CE2-CB 4.24Å; Y152-I162 HydrophobicContact CD2-CD1 4.35Å; Y152-I162 HydrophobicContact CG-CD1 4.43Å |
| 153 | V | 92.4 | Very high | 90.7 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 62% | 0.624 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.9 | -36.6 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | L147 H149 P150 G155 | L147-V153 WeakPolarHBondContact O-CG2 3.42Å; H149-V153 WeakPolarHBondContact O-CG2 3.21Å; H149-V153 PolarHBondContact O-N 3.12Å; P150-V153 PolarHBondContact O-N 3.17Å; V153-G155 VanDerWaalsContact C-N 3.28Å |
| 154 | T | 93.3 | Very high | 90.9 | Very high | 100 Ų | 100 | 69.5 Ų | 69.5 | 61% | 0.613 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12 | 175.9 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | P150 K151 Y152 E156 | P150-T154 WeakPolarHBondContact O-CG2 3.44Å; P150-T154 PolarHBondContact O-N 3.14Å; P150-T154 PolarHBondContact O-OG1 2.9Å; P150-T154 VanDerWaalsContact O-OG1 3.1Å; K151-T154 WeakPolarHBondContact CA-OG1 3.42Å; K151-T154 PolarHBondContact O-OG1 2.83Å; Y152-T154 VanDerWaalsContact C-N 3.32Å; Y152-T154 PolarHBondContact O-N 3.47Å; T154-E156 PolarHBondContact O-N 3.26Å; T154-E156 WeakPolarHBondContact OG1-CB 3.37Å; T154-E156 PolarHBondContact OG1-N 3.15Å |
| 155 | G | 90.7 | Very high | 90.7 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 67% | 0.67 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 12.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K151 Y152 V153 | K151-G155 PolarHBondContact O-N 3.35Å; Y152-G155 PolarHBondContact O-N 3Å; Y152-G155 VanDerWaalsContact O-N 3.09Å; V153-G155 VanDerWaalsContact C-N 3.28Å |
| 156 | E | 93.1 | Very high | 90.6 | Very high | 143 Ų | 143 | 70.4 Ų | 70.4 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -71.3 | -31.7 | 178.5 | -176.1 | -173.3 | 157.6 | 0 | 0 | 112.4 | K151 T154 | K151-E156 HydrophobicContact CB-CB 4.23Å; K151-E156 PolarHBondContact O-N 2.88Å; T154-E156 PolarHBondContact O-N 3.26Å; T154-E156 WeakPolarHBondContact OG1-CB 3.37Å; T154-E156 PolarHBondContact OG1-N 3.15Å |
| 157 | A | 91.2 | Very high | 90.5 | Very high | 14 Ų | 14 | 70.1 Ų | 70.1 | 12% | 0.116 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -138 | 142.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K151 D161 I162 | K151-A157 HydrophobicContact CB-CB 3.73Å; K151-A157 HydrophobicContact CD-CB 4.24Å; K151-A157 PolarHBondContact O-N 2.96Å; A157-D161 HydrophobicContact CB-CB 4.07Å; A157-I162 HydrophobicContact CB-CD1 4.27Å; A157-I162 HydrophobicContact CB-CG1 3.89Å |
| 158 | T | 92.3 | Very high | 90.2 | Very high | 75 Ų | 75 | 70.1 Ų | 70.1 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | trans | -74.9 | 167.4 | 171.8 | 69.9 | 0 | 0 | 0 | 0 | 111 | E160 D161 I162 | T158-E160 PolarHBondContact O-N 3.42Å; T158-E160 PolarHBondContact OG1-N 2.88Å; T158-D161 WeakPolarHBondContact CB-OD2 3.19Å; T158-D161 WeakPolarHBondContact CG2-OD2 3.5Å; T158-D161 PolarHBondContact N-OD2 3.13Å; T158-D161 PolarHBondContact O-N 2.99Å; T158-D161 PolarHBondContact OG1-N 3.43Å; T158-D161 PolarHBondContact OG1-OD2 3.15Å; T158-I162 WeakPolarHBondContact O-CG1 3.5Å; T158-I162 PolarHBondContact O-N 2.71Å; T158-I162 VanDerWaalsContact O-N 3.15Å | ||
| 159 | E | 91.4 | Very high | 89.8 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.9 | -38.9 | 172.5 | 178.7 | 172.8 | -138.8 | 0 | 0 | 112.2 | K141 V146 Y152 I162 F163 | K141-E159 HydrophobicContact CD-CG 4.48Å; K141-E159 WeakPolarHBondContact CE-OE2 3.38Å; K141-E159 HydrophobicContact CG-CG 4.1Å; V146-E159 HydrophobicContact CB-CG 4.42Å; V146-E159 HydrophobicContact CG1-CG 3.96Å; V146-E159 HydrophobicContact CG2-CB 3.68Å; V146-E159 HydrophobicContact CG2-CG 3.58Å; Y152-E159 HydrophobicContact CE2-CB 4.24Å; E159-I162 PolarHBondContact O-N 3Å; E159-F163 HydrophobicContact CG-CD2 3.71Å; E159-F163 HydrophobicContact CG-CE2 3.34Å; E159-F163 HydrophobicContact CG-CZ 4.34Å; E159-F163 WeakPolarHBondContact O-CD2 3.34Å; E159-F163 PolarHBondContact O-N 3.38Å; E159-F163 VanDerWaalsContact O-N 3.12Å |
| 160 | E | 90.2 | Very high | 89.5 | Confident | 104 Ų | 104 | 67 Ų | 67 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 179.1 | -173.7 | 167.4 | 170.4 | 0 | 0 | 112.1 | A137 T158 I162 F163 N164 | A137-E160 HydrophobicContact CB-CG 4.42Å; T158-E160 PolarHBondContact O-N 3.42Å; T158-E160 PolarHBondContact OG1-N 2.88Å; E160-I162 VanDerWaalsContact C-N 3.31Å; E160-I162 PolarHBondContact O-N 3.48Å; E160-F163 PolarHBondContact O-N 2.76Å; E160-N164 WeakPolarHBondContact O-CB 3.43Å; E160-N164 VanDerWaalsContact O-CG 3.27Å; E160-N164 PolarHBondContact O-N 2.98Å; E160-N164 PolarHBondContact O-ND2 2.68Å |
| 161 | D | 90.7 | Very high | 88.7 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.6 | -62 | -45 | 0 | 0 | 0 | 111.7 | A157 T158 N164 E165 | A157-D161 HydrophobicContact CB-CB 4.07Å; T158-D161 WeakPolarHBondContact CB-OD2 3.19Å; T158-D161 WeakPolarHBondContact CG2-OD2 3.5Å; T158-D161 PolarHBondContact N-OD2 3.13Å; T158-D161 PolarHBondContact O-N 2.99Å; T158-D161 PolarHBondContact OG1-N 3.43Å; T158-D161 PolarHBondContact OG1-OD2 3.15Å; D161-N164 PolarHBondContact O-N 3.39Å; D161-E165 VanDerWaalsContact O-CB 3.32Å; D161-E165 WeakPolarHBondContact O-CB 3.13Å; D161-E165 PolarHBondContact O-N 2.94Å |
| 162 | I | 90.7 | Very high | 87.5 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -42.7 | -179.9 | -67.1 | 163.4 | 0 | 0 | 0 | 111 | V146 H149 Y152 A157 T158 E159 E160 E165 F166 | V146-I162 HydrophobicContact CB-CD1 4.2Å; V146-I162 HydrophobicContact CG1-CB 4.23Å; V146-I162 HydrophobicContact CG1-CD1 4.37Å; V146-I162 HydrophobicContact CG1-CG2 3.91Å; H149-I162 HydrophobicContact CB-CD1 4.04Å; H149-I162 WeakPolarHBondContact ND1-CD1 3.4Å; Y152-I162 HydrophobicContact CD2-CD1 4.35Å; Y152-I162 HydrophobicContact CG-CD1 4.43Å; A157-I162 HydrophobicContact CB-CD1 4.27Å; A157-I162 HydrophobicContact CB-CG1 3.89Å; T158-I162 WeakPolarHBondContact O-CG1 3.5Å; T158-I162 PolarHBondContact O-N 2.71Å; T158-I162 VanDerWaalsContact O-N 3.15Å; E159-I162 PolarHBondContact O-N 3Å; E160-I162 VanDerWaalsContact C-N 3.31Å; E160-I162 PolarHBondContact O-N 3.48Å; I162-E165 PolarHBondContact O-N 3.33Å; I162-F166 PolarHBondContact O-N 2.78Å |
| 163 | F | 91.7 | Very high | 86 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.1 | -40 | 177 | -71.4 | -46 | 0 | 0 | 0 | 112.3 | A137 M140 K141 V146 E159 E160 E165 F166 L167 | A137-F163 HydrophobicContact CB-CB 3.91Å; M140-F163 HydrophobicContact CB-CB 4.21Å; M140-F163 HydrophobicContact CB-CD1 3.53Å; M140-F163 HydrophobicContact CB-CD2 4.17Å; M140-F163 HydrophobicContact CB-CE1 3.84Å; M140-F163 HydrophobicContact CB-CE2 4.43Å; M140-F163 HydrophobicContact CB-CG 3.72Å; M140-F163 HydrophobicContact CB-CZ 4.27Å; M140-F163 HydrophobicContact CE-CD1 4.18Å; M140-F163 HydrophobicContact CE-CE1 4.38Å; M140-F163 HydrophobicContact CG-CD1 4.31Å; K141-F163 HydrophobicContact CB-CE2 4.15Å; K141-F163 HydrophobicContact CG-CD2 3.73Å; K141-F163 HydrophobicContact CG-CE2 3.39Å; K141-F163 HydrophobicContact CG-CZ 4.47Å; V146-F163 HydrophobicContact CG1-CD1 4.5Å; V146-F163 HydrophobicContact CG1-CD2 4.48Å; V146-F163 HydrophobicContact CG1-CE1 3.91Å; V146-F163 HydrophobicContact CG1-CE2 3.88Å; V146-F163 HydrophobicContact CG1-CZ 3.59Å; E159-F163 HydrophobicContact CG-CD2 3.71Å; E159-F163 HydrophobicContact CG-CE2 3.34Å; E159-F163 HydrophobicContact CG-CZ 4.34Å; E159-F163 WeakPolarHBondContact O-CD2 3.34Å; E159-F163 PolarHBondContact O-N 3.38Å; E159-F163 VanDerWaalsContact O-N 3.12Å; E160-F163 PolarHBondContact O-N 2.76Å; F163-E165 VanDerWaalsContact C-N 3.35Å; F163-E165 PolarHBondContact O-N 2.89Å; F163-F166 WeakPolarHBondContact O-CB 3.33Å; F163-F166 PolarHBondContact O-N 3.48Å; F163-F166 VanDerWaalsContact O-N 3.17Å; F163-L167 VanDerWaalsContact O-CG 3.31Å; F163-L167 WeakPolarHBondContact O-CG 3.2Å; F163-L167 PolarHBondContact O-N 3.3Å |
| 164 | N | 88.7 | Confident | 84.3 | Confident | 39 Ų | 39 | 61 Ų | 61 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 174.2 | -72.4 | -26.4 | 0 | 0 | 0 | 111.4 | E160 D161 F166 L167 K168 | E160-N164 WeakPolarHBondContact O-CB 3.43Å; E160-N164 VanDerWaalsContact O-CG 3.27Å; E160-N164 PolarHBondContact O-N 2.98Å; E160-N164 PolarHBondContact O-ND2 2.68Å; D161-N164 PolarHBondContact O-N 3.39Å; N164-F166 VanDerWaalsContact C-N 3.26Å; N164-F166 PolarHBondContact O-N 3.04Å; N164-L167 PolarHBondContact O-N 2.88Å; N164-K168 WeakPolarHBondContact O-CB 3.4Å; N164-K168 WeakPolarHBondContact O-CG 3.11Å; N164-K168 PolarHBondContact O-N 2.96Å |
| 165 | E | 85.5 | Confident | 82.8 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 173.1 | -172.4 | 177.4 | -179.6 | 0 | 0 | 111.8 | K151 D161 I162 F163 | K151-E165 VanDerWaalsContact NZ-CD 3.27Å; K151-E165 IonicContact NZ-OE1 2.93Å; K151-E165 PolarHBondContact NZ-OE1 3.4Å; K151-E165 IonicContact NZ-OE2 2.77Å; K151-E165 PolarHBondContact NZ-OE2 3.33Å; D161-E165 VanDerWaalsContact O-CB 3.32Å; D161-E165 WeakPolarHBondContact O-CB 3.13Å; D161-E165 PolarHBondContact O-N 2.94Å; I162-E165 PolarHBondContact O-N 3.33Å; F163-E165 VanDerWaalsContact C-N 3.35Å; F163-E165 PolarHBondContact O-N 2.89Å |
| 166 | F | 87.3 | Confident | 81.8 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.3 | -45.9 | 174.9 | 178.9 | -100.4 | 0 | 0 | 0 | 112.9 | M140 I162 F163 N164 K168 T169 F170 W210 | M140-F166 HydrophobicContact CE-CD1 3.46Å; M140-F166 VanDerWaalsContact CE-CD1 3.46Å; M140-F166 HydrophobicContact CE-CE1 3.41Å; M140-F166 VanDerWaalsContact CE-CE1 3.41Å; M140-F166 HydrophobicContact CE-CG 4.48Å; M140-F166 HydrophobicContact CE-CZ 4.42Å; M140-F166 HydrophobicContact SD-CD1 4.46Å; M140-F166 HydrophobicContact SD-CE1 4.3Å; I162-F166 PolarHBondContact O-N 2.78Å; F163-F166 WeakPolarHBondContact O-CB 3.33Å; F163-F166 PolarHBondContact O-N 3.48Å; F163-F166 VanDerWaalsContact O-N 3.17Å; N164-F166 VanDerWaalsContact C-N 3.26Å; N164-F166 PolarHBondContact O-N 3.04Å; F166-K168 VanDerWaalsContact C-N 3.29Å; F166-K168 PolarHBondContact O-N 3.02Å; F166-T169 WeakPolarHBondContact O-CB 3.4Å; F166-T169 WeakPolarHBondContact O-CG2 3.08Å; F166-T169 PolarHBondContact O-N 3.13Å; F166-T169 PolarHBondContact O-OG1 2.74Å; F166-F170 HydrophobicContact CD1-CE2 4.05Å; F166-F170 HydrophobicContact CE1-CD2 4.47Å; F166-F170 AromaticContact CE1-CE2 3.48Å; F166-F170 HydrophobicContact CE1-CE2 3.48Å; F166-F170 VanDerWaalsContact CE1-CE2 3.48Å; F166-F170 HydrophobicContact CE1-CZ 4.14Å; F166-F170 HydrophobicContact CE2-CE2 4.2Å; F166-F170 AromaticContact CZ-CE2 3.57Å; F166-F170 HydrophobicContact CZ-CE2 3.57Å; F166-F170 AromaticContact CZ-CZ 3.87Å; F166-F170 HydrophobicContact CZ-CZ 3.87Å; F166-W210 HydrophobicContact CE1-CH2 4.1Å; F166-W210 HydrophobicContact CE1-CZ3 4.45Å; F166-W210 AromaticContact CZ-CH2 3.81Å; F166-W210 HydrophobicContact CZ-CH2 3.81Å; F166-W210 HydrophobicContact CZ-CZ3 4.24Å |
| 167 | L | 88.3 | Confident | 81.3 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | -178.3 | -70.7 | 173.9 | 0 | 0 | 0 | 112.1 | I135 T136 A137 M140 F163 N164 T169 F170 E171 V180 | I135-L167 HydrophobicContact CB-CD2 4.47Å; I135-L167 HydrophobicContact CG2-CD2 3.75Å; T136-L167 VanDerWaalsContact C-CD1 3.48Å; A137-L167 HydrophobicContact CB-CD1 4.46Å; M140-L167 HydrophobicContact CG-CD1 4.35Å; M140-L167 HydrophobicContact CG-CD2 4.04Å; M140-L167 HydrophobicContact CG-CG 4.35Å; M140-L167 HydrophobicContact SD-CD2 4.39Å; F163-L167 VanDerWaalsContact O-CG 3.31Å; F163-L167 WeakPolarHBondContact O-CG 3.2Å; F163-L167 PolarHBondContact O-N 3.3Å; N164-L167 PolarHBondContact O-N 2.88Å; L167-T169 PolarHBondContact O-N 2.86Å; L167-F170 PolarHBondContact O-N 3.21Å; L167-E171 PolarHBondContact O-N 3.3Å; L167-V180 HydrophobicContact CB-CG2 3.91Å; L167-V180 HydrophobicContact CD2-CB 4.47Å; L167-V180 HydrophobicContact CD2-CG2 3.73Å; L167-V180 HydrophobicContact CG-CG2 4.36Å; L167-V180 WeakPolarHBondContact O-CG2 3.49Å |
| 168 | K | 82.8 | Confident | 80.9 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -25.2 | 170.3 | -80.2 | 174.9 | -174.5 | -175 | 0 | 114.3 | N164 F166 F170 E171 V176 | N164-K168 WeakPolarHBondContact O-CB 3.4Å; N164-K168 WeakPolarHBondContact O-CG 3.11Å; N164-K168 PolarHBondContact O-N 2.96Å; F166-K168 VanDerWaalsContact C-N 3.29Å; F166-K168 PolarHBondContact O-N 3.02Å; K168-F170 PolarHBondContact O-N 2.82Å; K168-E171 WeakPolarHBondContact CA-OE2 3.35Å; K168-V176 HydrophobicContact CD-CG1 4.07Å; K168-V176 HydrophobicContact CG-CG1 3.64Å |
| 169 | T | 80.1 | Confident | 80.8 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.6 | 178.9 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | F166 L167 Y188 | F166-T169 WeakPolarHBondContact O-CB 3.4Å; F166-T169 WeakPolarHBondContact O-CG2 3.08Å; F166-T169 PolarHBondContact O-N 3.13Å; F166-T169 PolarHBondContact O-OG1 2.74Å; L167-T169 PolarHBondContact O-N 2.86Å; T169-Y188 WeakPolarHBondContact O-CD2 3.39Å; T169-Y188 VanDerWaalsContact O-CE2 3.29Å; T169-Y188 WeakPolarHBondContact O-CE2 3.22Å |
| 170 | F | 82.7 | Confident | 80.7 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -29.7 | 178.5 | -59.6 | -87.8 | 0 | 0 | 0 | 113 | F166 L167 K168 I172 V180 F185 Y188 Y189 W210 | F166-F170 HydrophobicContact CD1-CE2 4.05Å; F166-F170 HydrophobicContact CE1-CD2 4.47Å; F166-F170 AromaticContact CE1-CE2 3.48Å; F166-F170 HydrophobicContact CE1-CE2 3.48Å; F166-F170 VanDerWaalsContact CE1-CE2 3.48Å; F166-F170 HydrophobicContact CE1-CZ 4.14Å; F166-F170 HydrophobicContact CE2-CE2 4.2Å; F166-F170 AromaticContact CZ-CE2 3.57Å; F166-F170 HydrophobicContact CZ-CE2 3.57Å; F166-F170 AromaticContact CZ-CZ 3.87Å; F166-F170 HydrophobicContact CZ-CZ 3.87Å; L167-F170 PolarHBondContact O-N 3.21Å; K168-F170 PolarHBondContact O-N 2.82Å; F170-I172 WeakPolarHBondContact O-CG1 3.48Å; F170-V180 HydrophobicContact CB-CB 4.39Å; F170-V180 HydrophobicContact CB-CG1 3.62Å; F170-V180 HydrophobicContact CB-CG2 3.8Å; F170-V180 HydrophobicContact CG-CG1 4.34Å; F170-F185 AromaticContact CD1-CD2 3.63Å; F170-F185 HydrophobicContact CD1-CD2 3.63Å; F170-F185 AromaticContact CD1-CE2 3.96Å; F170-F185 HydrophobicContact CD1-CE2 3.96Å; F170-F185 AromaticContact CE1-CD2 3.86Å; F170-F185 HydrophobicContact CE1-CD2 3.86Å; F170-F185 AromaticContact CE1-CE2 3.67Å; F170-F185 HydrophobicContact CE1-CE2 3.67Å; F170-F185 HydrophobicContact CG-CD2 4.26Å; F170-F185 HydrophobicContact CZ-CE2 4.23Å; F170-Y188 AromaticContact CD1-CD1 3.74Å; F170-Y188 HydrophobicContact CD1-CD1 3.74Å; F170-Y188 HydrophobicContact CD1-CD2 4.13Å; F170-Y188 HydrophobicContact CD1-CE1 4.27Å; F170-Y188 AromaticContact CD1-CG 3.68Å; F170-Y188 HydrophobicContact CD1-CG 3.68Å; F170-Y188 AromaticContact CE1-CD1 3.68Å; F170-Y188 HydrophobicContact CE1-CD1 3.68Å; F170-Y188 AromaticContact CE1-CE1 3.84Å; F170-Y188 HydrophobicContact CE1-CE1 3.84Å; F170-Y188 HydrophobicContact CE1-CG 4.1Å; F170-Y189 HydrophobicContact CE1-CE2 4.02Å; F170-W210 HydrophobicContact CE1-CH2 4.4Å; F170-W210 HydrophobicContact CE1-CZ2 4.04Å; F170-W210 HydrophobicContact CE2-CH2 4.41Å; F170-W210 AromaticContact CZ-CH2 3.7Å; F170-W210 HydrophobicContact CZ-CH2 3.7Å; F170-W210 AromaticContact CZ-CZ2 3.74Å; F170-W210 HydrophobicContact CZ-CZ2 3.74Å |
| 171 | E | 76.9 | Confident | 80.8 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | trans | -61.5 | 135.1 | 175.9 | -63.3 | 177.9 | 113.9 | 0 | 0 | 110 | L167 K168 N177 G178 I179 V180 | L167-E171 PolarHBondContact O-N 3.3Å; K168-E171 WeakPolarHBondContact CA-OE2 3.35Å; E171-N177 PolarHBondContact OE1-N 3.38Å; E171-N177 PolarHBondContact OE1-OD1 3.05Å; E171-G178 WeakPolarHBondContact OE1-CA 3.45Å; E171-G178 PolarHBondContact OE1-N 2.76Å; E171-I179 PolarHBondContact OE1-N 2.9Å; E171-V180 HydrophobicContact CG-CG2 3.96Å | ||
| 172 | I | 65.3 | Low | 80.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | trans | -120.8 | 126.2 | -175.2 | -64.1 | -179.4 | 0 | 0 | 0 | 108.8 | V102 F170 E184 D187 | V102-I172 HydrophobicContact CB-CG2 4.23Å; V102-I172 HydrophobicContact CG1-CG2 3.5Å; V102-I172 VanDerWaalsContact CG1-CG2 3.5Å; V102-I172 HydrophobicContact CG2-CG2 3.82Å; F170-I172 WeakPolarHBondContact O-CG1 3.48Å; I172-E184 PolarHBondContact N-OE1 3.04Å; I172-D187 HydrophobicContact CD1-CB 3.44Å; I172-D187 VanDerWaalsContact CD1-CB 3.44Å | ||
| 173 | G | 61.2 | Low | 80.5 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 83.8 | -152.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | H175 | G173-H175 PolarHBondContact O-N 2.93Š|
| 174 | N | 55.3 | Low | 80.2 | Confident | 138 Ų | 138 | 62.2 Ų | 62.2 | 74% | 0.738 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -82 | 11 | -169.8 | -69 | -14.8 | 0 | 0 | 0 | 114.5 | ||
| 175 | H | 62.1 | Low | 80.2 | Confident | 135 Ų | 135 | 60.5 Ų | 60.5 | 63% | 0.625 | 31% | 0.314 | S | S | * | . | trans | -106 | 51.3 | -177.5 | -63.9 | -55.1 | 0 | 0 | 0 | 112.2 | G173 N177 | G173-H175 PolarHBondContact O-N 2.93Å; H175-N177 PolarHBondContact O-N 2.89Å | ||
| 176 | V | 70.9 | Confident | 80.3 | Confident | 86 Ų | 86 | 58.7 Ų | 58.7 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | trans | -77.9 | 87.8 | 172.3 | -177.7 | 0 | 0 | 0 | 0 | 109 | K168 | K168-V176 HydrophobicContact CD-CG1 4.07Å; K168-V176 HydrophobicContact CG-CG1 3.64Å | ||
| 177 | N | 82.4 | Confident | 80 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -118.8 | 0.4 | -177.4 | 65.6 | 10.6 | 0 | 0 | 0 | 113.1 | E171 H175 I179 | E171-N177 PolarHBondContact OE1-N 3.38Å; E171-N177 PolarHBondContact OE1-OD1 3.05Å; H175-N177 PolarHBondContact O-N 2.89Å; N177-I179 VanDerWaalsContact C-N 3.34Å; N177-I179 WeakPolarHBondContact OD1-CA 3.43Å; N177-I179 WeakPolarHBondContact OD1-CB 3.31Å; N177-I179 PolarHBondContact OD1-N 2.67Å; N177-I179 PolarHBondContact OD1-O 2.93Å |
| 178 | G | 83 | Confident | 79.7 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 78.7 | 16.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E171 | E171-G178 WeakPolarHBondContact OE1-CA 3.45Å; E171-G178 PolarHBondContact OE1-N 2.76Å |
| 179 | I | 89.1 | Confident | 79.9 | Confident | 61 Ų | 61 | 56 Ų | 56 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | trans | -125.1 | 110.7 | -177.7 | -53.6 | 177.5 | 0 | 0 | 0 | 108.2 | V134 T136 E171 N177 | V134-I179 HydrophobicContact CB-CG2 3.49Å; V134-I179 VanDerWaalsContact CB-CG2 3.49Å; V134-I179 HydrophobicContact CG1-CG2 3.77Å; V134-I179 HydrophobicContact CG2-CG2 3.68Å; T136-I179 HydrophobicContact CG2-CG1 4.42Å; T136-I179 HydrophobicContact CG2-CG2 4.48Å; E171-I179 PolarHBondContact OE1-N 2.9Å; N177-I179 VanDerWaalsContact C-N 3.34Å; N177-I179 WeakPolarHBondContact OD1-CA 3.43Å; N177-I179 WeakPolarHBondContact OD1-CB 3.31Å; N177-I179 PolarHBondContact OD1-N 2.67Å; N177-I179 PolarHBondContact OD1-O 2.93Å | ||
| 180 | V | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 114 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | V134 I135 L167 F170 E171 E184 F185 | V134-V180 CarbonylContact C-O 3.49Å; V134-V180 WeakPolarHBondContact CA-O 3.13Å; I135-V180 HydrophobicContact CB-CB 4.26Å; I135-V180 PolarHBondContact N-O 3.39Å; I135-V180 PolarHBondContact O-N 2.99Å; L167-V180 HydrophobicContact CB-CG2 3.91Å; L167-V180 HydrophobicContact CD2-CB 4.47Å; L167-V180 HydrophobicContact CD2-CG2 3.73Å; L167-V180 HydrophobicContact CG-CG2 4.36Å; L167-V180 WeakPolarHBondContact O-CG2 3.49Å; F170-V180 HydrophobicContact CB-CB 4.39Å; F170-V180 HydrophobicContact CB-CG1 3.62Å; F170-V180 HydrophobicContact CB-CG2 3.8Å; F170-V180 HydrophobicContact CG-CG1 4.34Å; E171-V180 HydrophobicContact CG-CG2 3.96Å; V180-E184 HydrophobicContact CG1-CB 4.28Å; V180-F185 HydrophobicContact CG1-CB 4.02Å; V180-F185 HydrophobicContact CG1-CD2 4.29Å |
| 181 | T | 91.2 | Very high | 79.5 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 162 | 173.5 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | V134 E183 E184 F185 | V134-T181 HydrophobicContact CG1-CG2 4.3Å; T181-E183 PolarHBondContact O-N 2.87Å; T181-E184 WeakPolarHBondContact CB-OE2 3.45Å; T181-E184 PolarHBondContact N-OE2 2.99Å; T181-E184 PolarHBondContact O-N 2.99Å; T181-E184 WeakPolarHBondContact OG1-CB 3.41Å; T181-E184 VanDerWaalsContact OG1-CG 3.24Å; T181-E184 WeakPolarHBondContact OG1-CG 3.24Å; T181-E184 PolarHBondContact OG1-N 2.9Å; T181-E184 PolarHBondContact OG1-OE2 2.97Å; T181-F185 WeakPolarHBondContact O-CB 3.44Å; T181-F185 PolarHBondContact O-N 3.34Å |
| 182 | K | 89.3 | Confident | 79.7 | Confident | 108 Ų | 108 | 53.6 Ų | 53.6 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 174.9 | -174.5 | -178.8 | 175.7 | -171.2 | 0 | 111.7 | F124 L186 | F124-K182 HydrophobicContact CD1-CG 4.49Å; F124-K182 HydrophobicContact CD2-CB 4.45Å; F124-K182 HydrophobicContact CE1-CB 4.18Å; F124-K182 VanDerWaalsContact CE2-CA 3.42Å; F124-K182 HydrophobicContact CE2-CB 4.04Å; F124-K182 HydrophobicContact CG-CG 4.48Å; F124-K182 HydrophobicContact CZ-CB 3.88Å; K182-L186 VanDerWaalsContact O-CB 3.23Å; K182-L186 WeakPolarHBondContact O-CB 3.43Å; K182-L186 PolarHBondContact O-N 3.42Å |
| 183 | E | 86 | Confident | 80.5 | Confident | 121 Ų | 121 | 52.4 Ų | 52.4 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.6 | -50.3 | 177.2 | -68.5 | 66.2 | -148.1 | 0 | 0 | 110.7 | T181 F185 L186 D187 | T181-E183 PolarHBondContact O-N 2.87Å; E183-F185 PolarHBondContact O-N 3.38Å; E183-L186 WeakPolarHBondContact O-CB 3.35Å; E183-L186 PolarHBondContact O-N 3.46Å; E183-D187 WeakPolarHBondContact O-CB 3.27Å; E183-D187 PolarHBondContact O-N 3.47Å |
| 184 | E | 85.2 | Confident | 81.1 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 177.3 | -73.8 | 166.8 | 129.2 | 0 | 0 | 112.5 | I172 V180 T181 L186 D187 Y188 | I172-E184 PolarHBondContact N-OE1 3.04Å; V180-E184 HydrophobicContact CG1-CB 4.28Å; T181-E184 WeakPolarHBondContact CB-OE2 3.45Å; T181-E184 PolarHBondContact N-OE2 2.99Å; T181-E184 PolarHBondContact O-N 2.99Å; T181-E184 WeakPolarHBondContact OG1-CB 3.41Å; T181-E184 VanDerWaalsContact OG1-CG 3.24Å; T181-E184 WeakPolarHBondContact OG1-CG 3.24Å; T181-E184 PolarHBondContact OG1-N 2.9Å; T181-E184 PolarHBondContact OG1-OE2 2.97Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.41Å; E184-D187 PolarHBondContact O-N 2.74Å; E184-Y188 WeakPolarHBondContact O-CB 3.37Å; E184-Y188 PolarHBondContact O-N 2.64Å |
| 185 | F | 88.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 176.2 | -166.3 | -96.6 | 0 | 0 | 0 | 111.7 | I120 A123 F124 L127 I135 F170 V180 T181 E183 Y189 W210 | I120-F185 HydrophobicContact CG2-CD1 3.74Å; I120-F185 HydrophobicContact CG2-CE1 3.92Å; A123-F185 HydrophobicContact CB-CE1 4.01Å; A123-F185 HydrophobicContact CB-CZ 4.01Å; F124-F185 HydrophobicContact CB-CD1 4.04Å; F124-F185 HydrophobicContact CB-CE1 4.08Å; F124-F185 HydrophobicContact CD2-CB 3.7Å; F124-F185 AromaticContact CD2-CD1 3.86Å; F124-F185 HydrophobicContact CD2-CD1 3.86Å; F124-F185 HydrophobicContact CD2-CD2 4.3Å; F124-F185 AromaticContact CD2-CG 3.72Å; F124-F185 HydrophobicContact CD2-CG 3.72Å; F124-F185 HydrophobicContact CE2-CB 4.05Å; F124-F185 HydrophobicContact CE2-CG 4.45Å; F124-F185 HydrophobicContact CG-CD1 4.46Å; L127-F185 HydrophobicContact CD1-CE2 3.75Å; L127-F185 HydrophobicContact CD1-CZ 3.95Å; I135-F185 HydrophobicContact CD1-CD2 4.09Å; I135-F185 HydrophobicContact CD1-CE2 4.25Å; F170-F185 AromaticContact CD1-CD2 3.63Å; F170-F185 HydrophobicContact CD1-CD2 3.63Å; F170-F185 AromaticContact CD1-CE2 3.96Å; F170-F185 HydrophobicContact CD1-CE2 3.96Å; F170-F185 AromaticContact CE1-CD2 3.86Å; F170-F185 HydrophobicContact CE1-CD2 3.86Å; F170-F185 AromaticContact CE1-CE2 3.67Å; F170-F185 HydrophobicContact CE1-CE2 3.67Å; F170-F185 HydrophobicContact CG-CD2 4.26Å; F170-F185 HydrophobicContact CZ-CE2 4.23Å; V180-F185 HydrophobicContact CG1-CB 4.02Å; V180-F185 HydrophobicContact CG1-CD2 4.29Å; T181-F185 WeakPolarHBondContact O-CB 3.44Å; T181-F185 PolarHBondContact O-N 3.34Å; E183-F185 PolarHBondContact O-N 3.38Å; F185-Y189 AromaticContact CD1-CD2 3.83Å; F185-Y189 HydrophobicContact CD1-CD2 3.83Å; F185-Y189 HydrophobicContact CD1-CE2 4.09Å; F185-Y189 HydrophobicContact CD2-CE2 4.37Å; F185-Y189 AromaticContact CE1-CD2 3.6Å; F185-Y189 HydrophobicContact CE1-CD2 3.6Å; F185-Y189 AromaticContact CE1-CE2 3.5Å; F185-Y189 HydrophobicContact CE1-CE2 3.5Å; F185-Y189 HydrophobicContact CE2-CD2 4.48Å; F185-Y189 AromaticContact CE2-CE2 3.83Å; F185-Y189 HydrophobicContact CE2-CE2 3.83Å; F185-Y189 HydrophobicContact CG-CD2 4.38Å; F185-Y189 AromaticContact CZ-CD2 3.99Å; F185-Y189 HydrophobicContact CZ-CD2 3.99Å; F185-Y189 AromaticContact CZ-CE2 3.38Å; F185-Y189 HydrophobicContact CZ-CE2 3.38Å; F185-Y189 WeakPolarHBondContact O-CD2 3.48Å; F185-Y189 PolarHBondContact O-N 3.43Å; F185-Y189 VanDerWaalsContact O-N 3.16Å; F185-W210 HydrophobicContact CE2-CH2 4.08Å; F185-W210 AromaticContact CE2-CZ2 3.66Å; F185-W210 HydrophobicContact CE2-CZ2 3.66Å; F185-W210 AromaticContact CZ-CE2 3.88Å; F185-W210 HydrophobicContact CZ-CH2 4.35Å; F185-W210 AromaticContact CZ-CZ2 3.62Å; F185-W210 HydrophobicContact CZ-CZ2 3.62Å |
| 186 | L | 87.7 | Confident | 82.5 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65 | -44.3 | 176.4 | -176.5 | 67.8 | 0 | 0 | 0 | 111.2 | M112 L117 I120 K182 E183 E184 Y189 A190 | M112-L186 HydrophobicContact CE-CD1 3.5Å; M112-L186 VanDerWaalsContact CE-CD1 3.5Å; M112-L186 HydrophobicContact CE-CG 4.07Å; L117-L186 HydrophobicContact CD2-CD1 3.68Å; I120-L186 HydrophobicContact CD1-CD1 4.08Å; I120-L186 HydrophobicContact CG2-CD1 4.02Å; K182-L186 VanDerWaalsContact O-CB 3.23Å; K182-L186 WeakPolarHBondContact O-CB 3.43Å; K182-L186 PolarHBondContact O-N 3.42Å; E183-L186 WeakPolarHBondContact O-CB 3.35Å; E183-L186 PolarHBondContact O-N 3.46Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.41Å; L186-Y189 CarbonylContact O-C 3.57Å; L186-Y189 PolarHBondContact O-N 3.11Å; L186-A190 WeakPolarHBondContact O-CB 3.39Å; L186-A190 PolarHBondContact O-N 3.32Å |
| 187 | D | 80.6 | Confident | 82.8 | Confident | 77 Ų | 77 | 39 Ų | 39 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.9 | -41.3 | -179.6 | -79.4 | 0.4 | 0 | 0 | 0 | 111.8 | I172 E183 E184 Y189 A190 G191 | I172-D187 HydrophobicContact CD1-CB 3.44Å; I172-D187 VanDerWaalsContact CD1-CB 3.44Å; E183-D187 WeakPolarHBondContact O-CB 3.27Å; E183-D187 PolarHBondContact O-N 3.47Å; E184-D187 PolarHBondContact O-N 2.74Å; D187-Y189 VanDerWaalsContact C-N 3.31Å; D187-Y189 PolarHBondContact O-N 3.47Å; D187-A190 WeakPolarHBondContact O-CB 3.36Å; D187-A190 PolarHBondContact O-N 3.19Å; D187-G191 PolarHBondContact O-N 3.44Å; D187-G191 VanDerWaalsContact O-N 3.11Å |
| 188 | Y | 82.4 | Confident | 82.8 | Confident | 47 Ų | 47 | 36.2 Ų | 36.2 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.5 | -50.9 | 171 | 177.2 | -88.6 | 0 | 0 | 0 | 110.7 | I41 T169 F170 E184 A190 G191 V192 | I41-Y188 HydrophobicContact CD1-CE2 4.04Å; T169-Y188 WeakPolarHBondContact O-CD2 3.39Å; T169-Y188 VanDerWaalsContact O-CE2 3.29Å; T169-Y188 WeakPolarHBondContact O-CE2 3.22Å; F170-Y188 AromaticContact CD1-CD1 3.74Å; F170-Y188 HydrophobicContact CD1-CD1 3.74Å; F170-Y188 HydrophobicContact CD1-CD2 4.13Å; F170-Y188 HydrophobicContact CD1-CE1 4.27Å; F170-Y188 AromaticContact CD1-CG 3.68Å; F170-Y188 HydrophobicContact CD1-CG 3.68Å; F170-Y188 AromaticContact CE1-CD1 3.68Å; F170-Y188 HydrophobicContact CE1-CD1 3.68Å; F170-Y188 AromaticContact CE1-CE1 3.84Å; F170-Y188 HydrophobicContact CE1-CE1 3.84Å; F170-Y188 HydrophobicContact CE1-CG 4.1Å; E184-Y188 WeakPolarHBondContact O-CB 3.37Å; E184-Y188 PolarHBondContact O-N 2.64Å; Y188-A190 VanDerWaalsContact C-N 3.33Å; Y188-A190 PolarHBondContact O-N 3.06Å; Y188-G191 PolarHBondContact O-N 3.12Å; Y188-V192 HydrophobicContact CD1-CG2 4.24Å; Y188-V192 HydrophobicContact CE1-CG2 3.79Å; Y188-V192 PolarHBondContact O-N 3.23Å |
| 189 | Y | 86.3 | Confident | 83 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.8 | -23.2 | 179.9 | -83.4 | -62.4 | 0 | 0 | 0 | 113.9 | I120 F170 F185 L186 D187 G191 V192 S193 F202 M205 M206 W210 | I120-Y189 HydrophobicContact CD1-CG 4.41Å; I120-Y189 HydrophobicContact CG1-CD2 4.45Å; I120-Y189 HydrophobicContact CG1-CG 4.1Å; I120-Y189 HydrophobicContact CG2-CD2 4.18Å; F170-Y189 HydrophobicContact CE1-CE2 4.02Å; F185-Y189 AromaticContact CD1-CD2 3.83Å; F185-Y189 HydrophobicContact CD1-CD2 3.83Å; F185-Y189 HydrophobicContact CD1-CE2 4.09Å; F185-Y189 HydrophobicContact CD2-CE2 4.37Å; F185-Y189 AromaticContact CE1-CD2 3.6Å; F185-Y189 HydrophobicContact CE1-CD2 3.6Å; F185-Y189 AromaticContact CE1-CE2 3.5Å; F185-Y189 HydrophobicContact CE1-CE2 3.5Å; F185-Y189 HydrophobicContact CE2-CD2 4.48Å; F185-Y189 AromaticContact CE2-CE2 3.83Å; F185-Y189 HydrophobicContact CE2-CE2 3.83Å; F185-Y189 HydrophobicContact CG-CD2 4.38Å; F185-Y189 AromaticContact CZ-CD2 3.99Å; F185-Y189 HydrophobicContact CZ-CD2 3.99Å; F185-Y189 AromaticContact CZ-CE2 3.38Å; F185-Y189 HydrophobicContact CZ-CE2 3.38Å; F185-Y189 WeakPolarHBondContact O-CD2 3.48Å; F185-Y189 PolarHBondContact O-N 3.43Å; F185-Y189 VanDerWaalsContact O-N 3.16Å; L186-Y189 CarbonylContact O-C 3.57Å; L186-Y189 PolarHBondContact O-N 3.11Å; D187-Y189 VanDerWaalsContact C-N 3.31Å; D187-Y189 PolarHBondContact O-N 3.47Å; Y189-G191 VanDerWaalsContact C-N 3.32Å; Y189-V192 HydrophobicContact CD1-CB 4.19Å; Y189-V192 HydrophobicContact CD1-CG2 4.38Å; Y189-V192 PolarHBondContact O-N 3.48Å; Y189-S193 WeakPolarHBondContact O-CA 3.47Å; Y189-S193 WeakPolarHBondContact O-CB 3.34Å; Y189-S193 PolarHBondContact O-N 3.23Å; Y189-F202 HydrophobicContact CD1-CE2 4.43Å; Y189-F202 HydrophobicContact CD1-CZ 4.11Å; Y189-M205 HydrophobicContact CE1-CE 4.21Å; Y189-M206 HydrophobicContact CD1-CE 4.02Å; Y189-M206 HydrophobicContact CD1-SD 3.48Å; Y189-M206 WeakPolarHBondContact CD1-SD 3.42Å; Y189-M206 HydrophobicContact CD2-CE 4.01Å; Y189-M206 HydrophobicContact CD2-SD 4.49Å; Y189-M206 HydrophobicContact CE1-CE 3.89Å; Y189-M206 HydrophobicContact CE1-SD 3.15Å; Y189-M206 WeakPolarHBondContact CE1-SD 3.43Å; Y189-M206 HydrophobicContact CE2-CE 3.85Å; Y189-M206 HydrophobicContact CE2-SD 4.22Å; Y189-M206 HydrophobicContact CG-CE 4.1Å; Y189-M206 HydrophobicContact CG-SD 4.18Å; Y189-M206 VanDerWaalsContact CZ-SD 3.57Å; Y189-W210 HydrophobicContact CE2-CZ2 4.1Å; Y189-W210 AromaticContact CE2-NE1 3.77Å; Y189-W210 AromaticContact CZ-NE1 3.41Å; Y189-W210 WeakPolarHBondContact OH-CZ2 3.37Å; Y189-W210 PolarHBondContact OH-NE1 3.42Å |
| 190 | A | 81.4 | Confident | 83.1 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T109 M112 L186 D187 Y188 S193 A194 | T109-A190 HydrophobicContact CG2-CB 4.25Å; T109-A190 WeakPolarHBondContact CG2-O 3.48Å; M112-A190 HydrophobicContact CE-CB 3.78Å; M112-A190 HydrophobicContact SD-CB 4.42Å; L186-A190 WeakPolarHBondContact O-CB 3.39Å; L186-A190 PolarHBondContact O-N 3.32Å; D187-A190 WeakPolarHBondContact O-CB 3.36Å; D187-A190 PolarHBondContact O-N 3.19Å; Y188-A190 VanDerWaalsContact C-N 3.33Å; Y188-A190 PolarHBondContact O-N 3.06Å; A190-S193 PolarHBondContact O-N 3.03Å; A190-A194 PolarHBondContact O-N 3.05Å |
| 191 | G | 74 | Confident | 83 | Confident | 5 Ų | 5 | 47 Ų | 47 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | D187 Y188 Y189 | D187-G191 PolarHBondContact O-N 3.44Å; D187-G191 VanDerWaalsContact O-N 3.11Å; Y188-G191 PolarHBondContact O-N 3.12Å; Y189-G191 VanDerWaalsContact C-N 3.32Å |
| 192 | V | 80.6 | Confident | 82.9 | Confident | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | I41 Y188 Y189 A194 S195 I196 F202 M205 | I41-V192 HydrophobicContact CD1-CG2 3.69Å; Y188-V192 HydrophobicContact CD1-CG2 4.24Å; Y188-V192 HydrophobicContact CE1-CG2 3.79Å; Y188-V192 PolarHBondContact O-N 3.23Å; Y189-V192 HydrophobicContact CD1-CB 4.19Å; Y189-V192 HydrophobicContact CD1-CG2 4.38Å; Y189-V192 PolarHBondContact O-N 3.48Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3.5Å; V192-S195 PolarHBondContact O-N 3.32Å; V192-S195 PolarHBondContact O-OG 3.37Å; V192-I196 HydrophobicContact CG1-CD1 4.05Å; V192-F202 HydrophobicContact CG1-CE2 4.34Å; V192-M205 HydrophobicContact CG1-CE 4.22Å; V192-M205 HydrophobicContact CG1-SD 4.04Å |
| 193 | S | 82.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -41.9 | -179.2 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | M112 R116 Y189 A190 S195 I196 | M112-S193 WeakPolarHBondContact CG-OG 3.42Å; M112-S193 WeakPolarHBondContact SD-CB 3.19Å; M112-S193 PolarHBondContact SD-OG 2.83Å; M112-S193 VanDerWaalsContact SD-OG 3.32Å; R116-S193 WeakPolarHBondContact CD-OG 3.35Å; R116-S193 PolarHBondContact NH1-O 3.44Å; R116-S193 PolarHBondContact NH1-OG 3.17Å; Y189-S193 WeakPolarHBondContact O-CA 3.47Å; Y189-S193 WeakPolarHBondContact O-CB 3.34Å; Y189-S193 PolarHBondContact O-N 3.23Å; A190-S193 PolarHBondContact O-N 3.03Å; S193-S195 PolarHBondContact O-N 2.88Å; S193-S195 VanDerWaalsContact O-N 3.15Å; S193-I196 CarbonylContact O-C 3.54Å; S193-I196 PolarHBondContact O-N 2.97Å |
| 194 | A | 74.3 | Confident | 83.4 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -19.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T109 A190 V192 I196 | T109-A194 HydrophobicContact CG2-CB 3.83Å; A190-A194 PolarHBondContact O-N 3.05Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3.5Å; A194-I196 VanDerWaalsContact C-N 3.32Å |
| 195 | S | 69.4 | Low | 83.7 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.6 | 173 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | G40 V192 S193 | G40-S195 WeakPolarHBondContact CA-OG 3.49Å; V192-S195 PolarHBondContact O-N 3.32Å; V192-S195 PolarHBondContact O-OG 3.37Å; S193-S195 PolarHBondContact O-N 2.88Å; S193-S195 VanDerWaalsContact O-N 3.15Å |
| 196 | I | 77.2 | Confident | 84 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | trans | -124.2 | 120.8 | -178.7 | -67.7 | 168.8 | 0 | 0 | 0 | 109.3 | R116 V192 S193 A194 S198 Y201 F202 M205 | R116-I196 PolarHBondContact NH1-O 3.45Å; R116-I196 PolarHBondContact NH2-O 2.84Å; V192-I196 HydrophobicContact CG1-CD1 4.05Å; S193-I196 CarbonylContact O-C 3.54Å; S193-I196 PolarHBondContact O-N 2.97Å; A194-I196 VanDerWaalsContact C-N 3.32Å; I196-S198 WeakPolarHBondContact CG2-O 3.37Å; I196-Y201 HydrophobicContact CD1-CD1 4.28Å; I196-Y201 HydrophobicContact CD1-CE1 4.24Å; I196-Y201 HydrophobicContact CG1-CD1 4.18Å; I196-Y201 HydrophobicContact CG1-CE1 4.25Å; I196-Y201 HydrophobicContact CG2-CD1 3.68Å; I196-F202 HydrophobicContact CB-CD2 4.28Å; I196-F202 HydrophobicContact CD1-CD2 3.77Å; I196-F202 HydrophobicContact CD1-CE2 4.49Å; I196-F202 HydrophobicContact CG2-CB 3.78Å; I196-F202 HydrophobicContact CG2-CD2 4.39Å; I196-M205 HydrophobicContact CD1-SD 3.71Å | ||
| 197 | D | 75.4 | Confident | 84.3 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | trans | -82.8 | -30.1 | -175.7 | 68.1 | -34 | 0 | 0 | 0 | 113.8 | S7 R116 | S7-D197 WeakPolarHBondContact CA-OD2 3.32Å; S7-D197 WeakPolarHBondContact CB-OD1 3.46Å; S7-D197 WeakPolarHBondContact CB-OD2 3.45Å; R116-D197 PolarHBondContact NH2-O 3.46Å | ||
| 198 | S | 82.7 | Confident | 84.8 | Confident | 43 Ų | 43 | 45.9 Ų | 45.9 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | trans | -103.4 | 123.8 | -176.3 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | I196 V200 Y201 F202 | I196-S198 WeakPolarHBondContact CG2-O 3.37Å; S198-V200 PolarHBondContact O-N 3.39Å; S198-V200 PolarHBondContact OG-N 2.86Å; S198-Y201 PolarHBondContact O-N 3.34Å; S198-Y201 VanDerWaalsContact O-N 3.15Å; S198-Y201 PolarHBondContact OG-N 3.27Å; S198-F202 PolarHBondContact O-N 3.15Å | ||
| 199 | D | 87.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.3 | -35.7 | 172.5 | -74.3 | 10.6 | 0 | 0 | 0 | 112 | S113 R116 F202 D203 | S113-D199 WeakPolarHBondContact CB-OD2 3.41Å; S113-D199 VanDerWaalsContact OG-CG 3.31Å; S113-D199 PolarHBondContact OG-OD2 2.91Å; R116-D199 IonicContact CZ-OD1 3.15Å; R116-D199 VanDerWaalsContact CZ-OD1 3.24Å; R116-D199 IonicContact NE-OD1 3.46Å; R116-D199 PolarHBondContact NE-OD1 3.3Å; R116-D199 IonicContact NH2-OD1 3.74Å; R116-D199 PolarHBondContact NH2-OD1 3.31Å; D199-F202 PolarHBondContact O-N 3.17Å; D199-D203 VanDerWaalsContact O-CB 3.27Å; D199-D203 WeakPolarHBondContact O-CB 3.45Å; D199-D203 PolarHBondContact O-N 3.27Å |
| 200 | V | 90.8 | Very high | 85.6 | Confident | 111 Ų | 111 | 46.1 Ų | 46.1 | 67% | 0.673 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.5 | -41.9 | 177.7 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | S198 L204 | S198-V200 PolarHBondContact O-N 3.39Å; S198-V200 PolarHBondContact OG-N 2.86Å; V200-L204 VanDerWaalsContact O-CB 3.3Å; V200-L204 WeakPolarHBondContact O-CB 3.17Å; V200-L204 PolarHBondContact O-N 3.47Å |
| 201 | Y | 88.4 | Confident | 86 | Confident | 130 Ų | 130 | 53.5 Ų | 53.5 | 51% | 0.51 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 176.9 | -177.4 | -107 | 0 | 0 | 0 | 111.4 | I196 S198 L204 M205 | I196-Y201 HydrophobicContact CD1-CD1 4.28Å; I196-Y201 HydrophobicContact CD1-CE1 4.24Å; I196-Y201 HydrophobicContact CG1-CD1 4.18Å; I196-Y201 HydrophobicContact CG1-CE1 4.25Å; I196-Y201 HydrophobicContact CG2-CD1 3.68Å; S198-Y201 PolarHBondContact O-N 3.34Å; S198-Y201 VanDerWaalsContact O-N 3.15Å; S198-Y201 PolarHBondContact OG-N 3.27Å; Y201-L204 PolarHBondContact O-N 3.12Å; Y201-M205 VanDerWaalsContact O-CB 3.28Å; Y201-M205 WeakPolarHBondContact O-CB 3.37Å; Y201-M205 PolarHBondContact O-N 3.48Å |
| 202 | F | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 175.2 | -173.8 | -93.2 | 0 | 0 | 0 | 111.5 | R116 I119 I120 Y189 V192 I196 S198 D199 L204 M205 M206 | R116-F202 HydrophobicContact CB-CD1 3.9Å; R116-F202 HydrophobicContact CB-CE1 3.85Å; R116-F202 HydrophobicContact CG-CB 4.48Å; R116-F202 HydrophobicContact CG-CD1 3.58Å; R116-F202 HydrophobicContact CG-CE1 4.05Å; R116-F202 HydrophobicContact CG-CG 4.12Å; I119-F202 HydrophobicContact CG2-CD1 3.98Å; I119-F202 HydrophobicContact CG2-CE1 3.82Å; I120-F202 HydrophobicContact CD1-CE1 4.02Å; I120-F202 HydrophobicContact CD1-CZ 3.92Å; I120-F202 HydrophobicContact CG1-CE1 3.93Å; I120-F202 HydrophobicContact CG1-CZ 4Å; Y189-F202 HydrophobicContact CD1-CE2 4.43Å; Y189-F202 HydrophobicContact CD1-CZ 4.11Å; V192-F202 HydrophobicContact CG1-CE2 4.34Å; I196-F202 HydrophobicContact CB-CD2 4.28Å; I196-F202 HydrophobicContact CD1-CD2 3.77Å; I196-F202 HydrophobicContact CD1-CE2 4.49Å; I196-F202 HydrophobicContact CG2-CB 3.78Å; I196-F202 HydrophobicContact CG2-CD2 4.39Å; S198-F202 PolarHBondContact O-N 3.15Å; D199-F202 PolarHBondContact O-N 3.17Å; F202-L204 PolarHBondContact O-N 2.77Å; F202-M205 HydrophobicContact CD2-CE 4.46Å; F202-M205 HydrophobicContact CE2-CE 4.29Å; F202-M205 PolarHBondContact O-N 2.93Å; F202-M206 HydrophobicContact CD1-CG 4.01Å; F202-M206 HydrophobicContact CE1-CG 3.64Å; F202-M206 HydrophobicContact CE1-SD 4.41Å; F202-M206 HydrophobicContact CZ-CG 3.93Å; F202-M206 HydrophobicContact CZ-SD 4.17Å; F202-M206 WeakPolarHBondContact O-CB 3.34Å; F202-M206 VanDerWaalsContact O-CG 3.3Å; F202-M206 WeakPolarHBondContact O-CG 3.47Å; F202-M206 PolarHBondContact O-N 2.83Å |
| 203 | D | 92.8 | Very high | 87.1 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 176.4 | 176.5 | -81.1 | 0 | 0 | 0 | 111.2 | D199 M205 M206 R207 | D199-D203 VanDerWaalsContact O-CB 3.27Å; D199-D203 WeakPolarHBondContact O-CB 3.45Å; D199-D203 PolarHBondContact O-N 3.27Å; D203-M205 VanDerWaalsContact C-N 3.34Å; D203-M205 PolarHBondContact O-N 2.65Å; D203-M206 PolarHBondContact O-N 3.03Å; D203-R207 WeakPolarHBondContact O-CG 3.37Å; D203-R207 PolarHBondContact O-N 2.96Å; D203-R207 WeakPolarHBondContact OD1-CD 3.26Å; D203-R207 IonicContact OD1-CZ 2.73Å; D203-R207 IonicContact OD1-NE 3.31Å; D203-R207 PolarHBondContact OD1-NE 2.92Å; D203-R207 IonicContact OD1-NH2 3.95Å; D203-R207 IonicContact OD2-CZ 2.7Å; D203-R207 IonicContact OD2-NE 2.63Å; D203-R207 PolarHBondContact OD2-NE 3.47Å; D203-R207 IonicContact OD2-NH2 3.24Å; D203-R207 PolarHBondContact OD2-NH2 3.41Å; D203-R207 VanDerWaalsContact OD2-NH2 3.15Å |
| 204 | L | 91.9 | Very high | 87.3 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.1 | -179 | 63.3 | 0 | 0 | 0 | 112.3 | V200 Y201 F202 R207 K208 | V200-L204 VanDerWaalsContact O-CB 3.3Å; V200-L204 WeakPolarHBondContact O-CB 3.17Å; V200-L204 PolarHBondContact O-N 3.47Å; Y201-L204 PolarHBondContact O-N 3.12Å; F202-L204 PolarHBondContact O-N 2.77Å; L204-R207 PolarHBondContact O-N 3.32Å; L204-K208 HydrophobicContact CD1-CG 4.49Å; L204-K208 WeakPolarHBondContact O-CB 3.38Å; L204-K208 WeakPolarHBondContact O-CG 3.45Å; L204-K208 PolarHBondContact O-N 2.99Å |
| 205 | M | 92.6 | Very high | 88.1 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 176.8 | -178 | -139.6 | 66.2 | 0 | 0 | 110.4 | Y189 V192 I196 Y201 F202 D203 K208 A209 | Y189-M205 HydrophobicContact CE1-CE 4.21Å; V192-M205 HydrophobicContact CG1-CE 4.22Å; V192-M205 HydrophobicContact CG1-SD 4.04Å; I196-M205 HydrophobicContact CD1-SD 3.71Å; Y201-M205 VanDerWaalsContact O-CB 3.28Å; Y201-M205 WeakPolarHBondContact O-CB 3.37Å; Y201-M205 PolarHBondContact O-N 3.48Å; F202-M205 HydrophobicContact CD2-CE 4.46Å; F202-M205 HydrophobicContact CE2-CE 4.29Å; F202-M205 PolarHBondContact O-N 2.93Å; D203-M205 VanDerWaalsContact C-N 3.34Å; D203-M205 PolarHBondContact O-N 2.65Å; M205-K208 PolarHBondContact O-N 3Å; M205-A209 WeakPolarHBondContact O-CB 3.47Å; M205-A209 PolarHBondContact O-N 2.93Å |
| 206 | M | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 178.1 | -73.1 | -64.2 | -76.9 | 0 | 0 | 112.1 | I119 I120 A123 Y189 F202 D203 K208 A209 W210 | I119-M206 HydrophobicContact CB-CB 4.49Å; I119-M206 HydrophobicContact CG1-CB 3.55Å; I119-M206 HydrophobicContact CG1-CG 4.32Å; I119-M206 HydrophobicContact CG2-CB 4.11Å; I119-M206 HydrophobicContact CG2-CG 3.96Å; I120-M206 HydrophobicContact CB-CE 4.33Å; I120-M206 HydrophobicContact CG1-CE 3.86Å; A123-M206 HydrophobicContact CB-CE 3.81Å; Y189-M206 HydrophobicContact CD1-CE 4.02Å; Y189-M206 HydrophobicContact CD1-SD 3.48Å; Y189-M206 WeakPolarHBondContact CD1-SD 3.42Å; Y189-M206 HydrophobicContact CD2-CE 4.01Å; Y189-M206 HydrophobicContact CD2-SD 4.49Å; Y189-M206 HydrophobicContact CE1-CE 3.89Å; Y189-M206 HydrophobicContact CE1-SD 3.15Å; Y189-M206 WeakPolarHBondContact CE1-SD 3.43Å; Y189-M206 HydrophobicContact CE2-CE 3.85Å; Y189-M206 HydrophobicContact CE2-SD 4.22Å; Y189-M206 HydrophobicContact CG-CE 4.1Å; Y189-M206 HydrophobicContact CG-SD 4.18Å; Y189-M206 VanDerWaalsContact CZ-SD 3.57Å; F202-M206 HydrophobicContact CD1-CG 4.01Å; F202-M206 HydrophobicContact CE1-CG 3.64Å; F202-M206 HydrophobicContact CE1-SD 4.41Å; F202-M206 HydrophobicContact CZ-CG 3.93Å; F202-M206 HydrophobicContact CZ-SD 4.17Å; F202-M206 WeakPolarHBondContact O-CB 3.34Å; F202-M206 VanDerWaalsContact O-CG 3.3Å; F202-M206 WeakPolarHBondContact O-CG 3.47Å; F202-M206 PolarHBondContact O-N 2.83Å; D203-M206 PolarHBondContact O-N 3.03Å; M206-K208 VanDerWaalsContact C-N 3.31Å; M206-K208 PolarHBondContact O-N 3.24Å; M206-A209 PolarHBondContact O-N 3.26Å; M206-W210 PolarHBondContact O-N 3.24Å |
| 207 | R | 94.1 | Very high | 89.9 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 35% | 0.347 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.9 | -71.8 | 179.5 | -171.5 | -75.9 | -12.2 | 112.2 | I119 D203 L204 K211 L212 | I119-R207 HydrophobicContact CD1-CG 3.88Å; D203-R207 WeakPolarHBondContact O-CG 3.37Å; D203-R207 PolarHBondContact O-N 2.96Å; D203-R207 WeakPolarHBondContact OD1-CD 3.26Å; D203-R207 IonicContact OD1-CZ 2.73Å; D203-R207 IonicContact OD1-NE 3.31Å; D203-R207 PolarHBondContact OD1-NE 2.92Å; D203-R207 IonicContact OD1-NH2 3.95Å; D203-R207 IonicContact OD2-CZ 2.7Å; D203-R207 IonicContact OD2-NE 2.63Å; D203-R207 PolarHBondContact OD2-NE 3.47Å; D203-R207 IonicContact OD2-NH2 3.24Å; D203-R207 PolarHBondContact OD2-NH2 3.41Å; D203-R207 VanDerWaalsContact OD2-NH2 3.15Å; L204-R207 PolarHBondContact O-N 3.32Å; R207-K211 CarbonylContact O-C 3.55Å; R207-K211 WeakPolarHBondContact O-CA 3.39Å; R207-K211 PolarHBondContact O-N 2.97Å; R207-L212 HydrophobicContact CG-CB 4.24Å; R207-L212 PolarHBondContact O-N 3.49Å |
| 208 | K | 92.6 | Very high | 90.9 | Very high | 152 Ų | 152 | 70.4 Ų | 70.4 | 66% | 0.661 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.2 | -45.8 | 176.9 | -75.5 | -175.3 | 175.5 | -175.5 | 0 | 112.3 | L204 M205 M206 | L204-K208 HydrophobicContact CD1-CG 4.49Å; L204-K208 WeakPolarHBondContact O-CB 3.38Å; L204-K208 WeakPolarHBondContact O-CG 3.45Å; L204-K208 PolarHBondContact O-N 2.99Å; M205-K208 PolarHBondContact O-N 3Å; M206-K208 VanDerWaalsContact C-N 3.31Å; M206-K208 PolarHBondContact O-N 3.24Å |
| 209 | A | 91.7 | Very high | 91.5 | Very high | 56 Ų | 56 | 72.4 Ų | 72.4 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M205 M206 | M205-A209 WeakPolarHBondContact O-CB 3.47Å; M205-A209 PolarHBondContact O-N 2.93Å; M206-A209 PolarHBondContact O-N 3.26Å |
| 210 | W | 92.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 73.5 Ų | 73.5 | 3% | 0.034 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -97.7 | 2.8 | -174.6 | -63 | 111.5 | 0 | 0 | 0 | 113.9 | A123 K126 L127 Y144 F166 F170 F185 Y189 M206 L212 | A123-W210 HydrophobicContact CB-CB 4.16Å; A123-W210 HydrophobicContact CB-CD2 4.21Å; A123-W210 HydrophobicContact CB-CG 3.65Å; K126-W210 WeakPolarHBondContact CD-O 3.24Å; K126-W210 WeakPolarHBondContact CE-O 3.47Å; K126-W210 PolarHBondContact NZ-O 3.09Å; L127-W210 HydrophobicContact CD1-CD2 4.4Å; L127-W210 HydrophobicContact CD1-CE3 3.82Å; L127-W210 HydrophobicContact CD1-CH2 3.52Å; L127-W210 HydrophobicContact CD1-CZ2 4.12Å; L127-W210 HydrophobicContact CD1-CZ3 3.37Å; L127-W210 HydrophobicContact CD2-CE3 3.85Å; L127-W210 HydrophobicContact CD2-CZ3 3.61Å; L127-W210 HydrophobicContact CG-CE3 4.16Å; L127-W210 HydrophobicContact CG-CZ3 4.01Å; Y144-W210 HydrophobicContact CE2-CZ3 4.33Å; Y144-W210 VanDerWaalsContact OH-CE3 3.3Å; F166-W210 HydrophobicContact CE1-CH2 4.1Å; F166-W210 HydrophobicContact CE1-CZ3 4.45Å; F166-W210 AromaticContact CZ-CH2 3.81Å; F166-W210 HydrophobicContact CZ-CH2 3.81Å; F166-W210 HydrophobicContact CZ-CZ3 4.24Å; F170-W210 HydrophobicContact CE1-CH2 4.4Å; F170-W210 HydrophobicContact CE1-CZ2 4.04Å; F170-W210 HydrophobicContact CE2-CH2 4.41Å; F170-W210 AromaticContact CZ-CH2 3.7Å; F170-W210 HydrophobicContact CZ-CH2 3.7Å; F170-W210 AromaticContact CZ-CZ2 3.74Å; F170-W210 HydrophobicContact CZ-CZ2 3.74Å; F185-W210 HydrophobicContact CE2-CH2 4.08Å; F185-W210 AromaticContact CE2-CZ2 3.66Å; F185-W210 HydrophobicContact CE2-CZ2 3.66Å; F185-W210 AromaticContact CZ-CE2 3.88Å; F185-W210 HydrophobicContact CZ-CH2 4.35Å; F185-W210 AromaticContact CZ-CZ2 3.62Å; F185-W210 HydrophobicContact CZ-CZ2 3.62Å; Y189-W210 HydrophobicContact CE2-CZ2 4.1Å; Y189-W210 AromaticContact CE2-NE1 3.77Å; Y189-W210 AromaticContact CZ-NE1 3.41Å; Y189-W210 WeakPolarHBondContact OH-CZ2 3.37Å; Y189-W210 PolarHBondContact OH-NE1 3.42Å; M206-W210 PolarHBondContact O-N 3.24Å; W210-L212 VanDerWaalsContact C-N 3.31Å; W210-L212 HydrophobicContact CB-CD1 4.24Å; W210-L212 HydrophobicContact CB-CD2 4.41Å; W210-L212 HydrophobicContact CB-CG 3.88Å; W210-L212 PolarHBondContact O-N 3.1Å |
| 211 | K | 90.8 | Very high | 91.8 | Very high | 162 Ų | 162 | 70.3 Ų | 70.3 | 70% | 0.704 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 50.8 | -175.3 | -56.7 | 180 | -178.7 | 178.3 | 0 | 111.8 | K126 R207 | K126-K211 PolarHBondContact NZ-O 3.5Å; R207-K211 CarbonylContact O-C 3.55Å; R207-K211 WeakPolarHBondContact O-CA 3.39Å; R207-K211 PolarHBondContact O-N 2.97Å |
| 212 | L | 90.2 | Very high | 92.1 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | trans | -84.6 | 0 | 177.7 | -61.9 | 171.2 | 0 | 0 | 0 | 112.2 | I119 M122 A123 K126 R207 W210 | I119-L212 HydrophobicContact CD1-CD1 3.52Å; I119-L212 HydrophobicContact CG1-CD1 4.06Å; M122-L212 HydrophobicContact CB-CD1 4.09Å; M122-L212 HydrophobicContact CB-CD2 4.47Å; A123-L212 HydrophobicContact CB-CD1 4.13Å; K126-L212 HydrophobicContact CB-CD2 4.08Å; K126-L212 HydrophobicContact CD-CD2 3.68Å; R207-L212 HydrophobicContact CG-CB 4.24Å; R207-L212 PolarHBondContact O-N 3.49Å; W210-L212 VanDerWaalsContact C-N 3.31Å; W210-L212 HydrophobicContact CB-CD1 4.24Å; W210-L212 HydrophobicContact CB-CD2 4.41Å; W210-L212 HydrophobicContact CB-CG 3.88Å; W210-L212 PolarHBondContact O-N 3.1Å |
Retrieved 212 of 212 residues in 325.3 ms
(Link to these results)