| 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 | 78 | Confident | 83.2 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | 0 | -41 | 0 | -74.9 | -63.3 | -83.1 | 0 | 0 | 110.8 | K3 I4 I5 L25 L38 | M1-K3 PolarHBondContact O-N 3.44Å; M1-I4 WeakPolarHBondContact O-CA 3.35Å; M1-I4 VanDerWaalsContact O-CB 3.27Å; M1-I4 WeakPolarHBondContact O-CB 3.5Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 HydrophobicContact SD-CD1 4.16Å; M1-I5 PolarHBondContact O-N 3.44Å; M1-L25 HydrophobicContact CE-CD2 3.67Å; M1-L38 HydrophobicContact CB-CD2 4.05Å | |||
| 2 | D | 79.4 | Confident | 83.2 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 31% | 0.305 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -48.9 | -56.6 | -179.9 | -53.7 | 15 | 0 | 0 | 0 | 112.6 | I4 I5 T6 L38 V41 | D2-I4 PolarHBondContact O-N 3.34Å; D2-I5 PolarHBondContact O-N 3.27Å; D2-I5 VanDerWaalsContact O-N 3.11Å; D2-T6 WeakPolarHBondContact O-CG2 3.43Å; D2-T6 PolarHBondContact O-N 3.09Å; D2-T6 PolarHBondContact O-OG1 3.22Å; D2-L38 WeakPolarHBondContact OD1-CD2 3.32Å; D2-V41 HydrophobicContact CB-CG2 3.37Å; D2-V41 WeakPolarHBondContact OD1-CG2 3.35Å |
| 3 | K | 84.1 | Confident | 83.5 | Confident | 185 Ų | 185 | 64.4 Ų | 64.4 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.4 | -29.7 | 176.6 | -65.2 | -175.4 | -179.9 | 179.8 | 0 | 113.6 | M1 T6 G7 | M1-K3 PolarHBondContact O-N 3.44Å; K3-T6 WeakPolarHBondContact CA-OG1 3.38Å; K3-G7 WeakPolarHBondContact O-CA 3.44Å; K3-G7 PolarHBondContact O-N 2.97Å |
| 4 | I | 85.2 | Confident | 83.7 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.4 | -45.9 | 178.2 | -60.3 | 174.3 | 0 | 0 | 0 | 109.2 | M1 D2 L8 | M1-I4 WeakPolarHBondContact O-CA 3.35Å; M1-I4 VanDerWaalsContact O-CB 3.27Å; M1-I4 WeakPolarHBondContact O-CB 3.5Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 HydrophobicContact SD-CD1 4.16Å; D2-I4 PolarHBondContact O-N 3.34Å; I4-L8 WeakPolarHBondContact O-CB 3.45Å; I4-L8 PolarHBondContact O-N 2.98Å |
| 5 | I | 84.5 | Confident | 84 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.1 | -51.1 | 179.6 | -63.5 | 168.4 | 0 | 0 | 0 | 110 | M1 D2 L8 L9 L25 I29 V41 L66 I70 | M1-I5 PolarHBondContact O-N 3.44Å; D2-I5 PolarHBondContact O-N 3.27Å; D2-I5 VanDerWaalsContact O-N 3.11Å; I5-L8 PolarHBondContact O-N 3.47Å; I5-L9 HydrophobicContact CG2-CD1 4.19Å; I5-L9 PolarHBondContact O-N 3.49Å; I5-L9 VanDerWaalsContact O-N 3.08Å; I5-L25 HydrophobicContact CG1-CD1 4.35Å; I5-I29 HydrophobicContact CD1-CD1 4.06Å; I5-V41 HydrophobicContact CB-CG1 3.92Å; I5-V41 HydrophobicContact CD1-CG1 4.07Å; I5-V41 HydrophobicContact CG2-CG1 3.65Å; I5-L66 HydrophobicContact CG2-CD2 4.21Å; I5-I70 HydrophobicContact CD1-CD1 4.46Å |
| 6 | T | 83 | Confident | 84.3 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 179.4 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | D2 K3 L8 L9 A10 V41 T44 | D2-T6 WeakPolarHBondContact O-CG2 3.43Å; D2-T6 PolarHBondContact O-N 3.09Å; D2-T6 PolarHBondContact O-OG1 3.22Å; K3-T6 WeakPolarHBondContact CA-OG1 3.38Å; T6-L8 VanDerWaalsContact C-N 3.35Å; T6-L8 PolarHBondContact O-N 3.38Å; T6-L9 PolarHBondContact O-N 2.94Å; T6-A10 WeakPolarHBondContact O-CB 3.43Å; T6-A10 PolarHBondContact O-N 3.41Å; T6-V41 HydrophobicContact CG2-CG1 4.44Å; T6-T44 HydrophobicContact CG2-CG2 3.66Å |
| 7 | G | 85 | Confident | 84.7 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K3 A10 S11 | K3-G7 WeakPolarHBondContact O-CA 3.44Å; K3-G7 PolarHBondContact O-N 2.97Å; G7-A10 PolarHBondContact O-N 3.16Å; G7-S11 WeakPolarHBondContact O-CB 3.5Å; G7-S11 PolarHBondContact O-N 2.97Å |
| 8 | L | 87 | Confident | 85 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.089 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 177.2 | -179.2 | 63.8 | 0 | 0 | 0 | 111.5 | I4 I5 T6 S11 K18 L21 L22 L25 | I4-L8 WeakPolarHBondContact O-CB 3.45Å; I4-L8 PolarHBondContact O-N 2.98Å; I5-L8 PolarHBondContact O-N 3.47Å; T6-L8 VanDerWaalsContact C-N 3.35Å; T6-L8 PolarHBondContact O-N 3.38Å; L8-S11 PolarHBondContact O-N 3.07Å; L8-S11 PolarHBondContact O-OG 3.17Å; L8-K18 HydrophobicContact CD1-CG 4.34Å; L8-K18 WeakPolarHBondContact O-CE 2.93Å; L8-L21 HydrophobicContact CD1-CB 4.17Å; L8-L21 HydrophobicContact CD1-CD1 3.64Å; L8-L21 HydrophobicContact CD2-CB 3.72Å; L8-L22 HydrophobicContact CD2-CD2 3.81Å; L8-L22 HydrophobicContact CD2-CG 3.89Å; L8-L25 HydrophobicContact CD2-CD1 3.78Å |
| 9 | L | 82.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 175.2 | -75.9 | 158.2 | 0 | 0 | 0 | 111 | I5 T6 S11 K18 C45 Y59 V63 | I5-L9 HydrophobicContact CG2-CD1 4.19Å; I5-L9 PolarHBondContact O-N 3.49Å; I5-L9 VanDerWaalsContact O-N 3.08Å; T6-L9 PolarHBondContact O-N 2.94Å; L9-S11 VanDerWaalsContact C-N 3.3Å; L9-S11 PolarHBondContact O-N 2.78Å; L9-K18 PolarHBondContact O-NZ 3.17Å; L9-C45 HydrophobicContact CD1-CB 3.88Å; L9-C45 WeakPolarHBondContact CD1-SG 3.27Å; L9-Y59 HydrophobicContact CD2-CE1 4.11Å; L9-Y59 WeakPolarHBondContact CD2-OH 3.44Å; L9-V63 HydrophobicContact CD2-CG1 4.27Å; L9-V63 HydrophobicContact CD2-CG2 3.8Å |
| 10 | A | 81.7 | Confident | 85.7 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 49% | 0.488 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.7 | -14.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | T6 G7 | T6-A10 WeakPolarHBondContact O-CB 3.43Å; T6-A10 PolarHBondContact O-N 3.41Å; G7-A10 PolarHBondContact O-N 3.16Å |
| 11 | S | 85.4 | Confident | 86 | Confident | 25 Ų | 25 | 63 Ų | 63 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -65.2 | 154.9 | -176.2 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | G7 L8 L9 Y13 K18 | G7-S11 WeakPolarHBondContact O-CB 3.5Å; G7-S11 PolarHBondContact O-N 2.97Å; L8-S11 PolarHBondContact O-N 3.07Å; L8-S11 PolarHBondContact O-OG 3.17Å; L9-S11 VanDerWaalsContact C-N 3.3Å; L9-S11 PolarHBondContact O-N 2.78Å; S11-Y13 PolarHBondContact O-N 3.14Å; S11-Y13 VanDerWaalsContact OG-CD2 3.25Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.29Å; S11-K18 WeakPolarHBondContact O-CE 3.31Å; S11-K18 PolarHBondContact O-NZ 3.24Å; S11-K18 VanDerWaalsContact OG-CE 3.3Å; S11-K18 WeakPolarHBondContact OG-CE 3.06Å |
| 12 | G | 82.5 | Confident | 86.6 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 91% | 0.907 | 35% | 0.346 | S | S | * | . | trans | -80.4 | 12 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 13 | Y | 86.7 | Confident | 87.2 | Confident | 145 Ų | 145 | 61 Ų | 61 | 57% | 0.569 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -68.2 | 150.3 | -178.9 | -68.8 | -59.8 | 0 | 0 | 0 | 112.1 | S11 K18 | S11-Y13 PolarHBondContact O-N 3.14Å; S11-Y13 VanDerWaalsContact OG-CD2 3.25Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.29Å; Y13-K18 WeakPolarHBondContact O-CE 3.5Å |
| 14 | P | 87.2 | Confident | 87.6 | Confident | 79 Ų | 79 | 59 Ų | 59 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | trans | -55.4 | 143.1 | 171.7 | -24.1 | 33.4 | 0 | 0 | 0 | 111.9 | S16 T17 K18 | P14-S16 PolarHBondContact O-N 3.32Å; P14-T17 WeakPolarHBondContact O-CB 3.49Å; P14-T17 PolarHBondContact O-N 3.27Å; P14-K18 PolarHBondContact O-N 3.22Å; P14-K18 VanDerWaalsContact O-N 3.12Å | ||
| 15 | E | 87.3 | Confident | 87.9 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.8 | -38.5 | -179.8 | -73.7 | -167 | 157.2 | 0 | 0 | 112.3 | T17 K18 I19 S56 Y59 | E15-T17 VanDerWaalsContact C-N 3.31Å; E15-T17 PolarHBondContact O-N 3.37Å; E15-K18 PolarHBondContact O-N 3.31Å; E15-K18 VanDerWaalsContact O-N 3.15Å; E15-I19 WeakPolarHBondContact O-CB 3.49Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.47Å; E15-I19 PolarHBondContact O-N 2.86Å; E15-S56 PolarHBondContact OE1-N 3.48Å; E15-S56 WeakPolarHBondContact OE2-CB 3.19Å; E15-S56 PolarHBondContact OE2-OG 2.72Å; E15-Y59 HydrophobicContact CB-CD2 4.44Å; E15-Y59 HydrophobicContact CG-CD2 4.44Å; E15-Y59 HydrophobicContact CG-CG 4.46Å |
| 16 | S | 89.1 | Confident | 88.2 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56.8 | -42.1 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | P14 I20 | P14-S16 PolarHBondContact O-N 3.32Å; S16-I20 WeakPolarHBondContact O-CG1 3.44Å; S16-I20 PolarHBondContact O-N 3.39Å |
| 17 | T | 91.6 | Very high | 88.6 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 36% | 0.356 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.1 | -44.5 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 111 | P14 E15 I19 I20 L21 | P14-T17 WeakPolarHBondContact O-CB 3.49Å; P14-T17 PolarHBondContact O-N 3.27Å; E15-T17 VanDerWaalsContact C-N 3.31Å; E15-T17 PolarHBondContact O-N 3.37Å; T17-I19 VanDerWaalsContact C-N 3.32Å; T17-I19 PolarHBondContact O-N 3.4Å; T17-I20 PolarHBondContact O-N 3.08Å; T17-L21 HydrophobicContact CG2-CD1 4.28Å; T17-L21 WeakPolarHBondContact O-CG 3.24Å; T17-L21 PolarHBondContact O-N 2.74Å |
| 18 | K | 90.9 | Very high | 88.8 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 177.9 | -64 | -174.9 | 179.9 | -177.6 | 0 | 111.4 | L8 L9 S11 Y13 P14 E15 I20 L21 L22 Y59 | L8-K18 HydrophobicContact CD1-CG 4.34Å; L8-K18 WeakPolarHBondContact O-CE 2.93Å; L9-K18 PolarHBondContact O-NZ 3.17Å; S11-K18 WeakPolarHBondContact O-CE 3.31Å; S11-K18 PolarHBondContact O-NZ 3.24Å; S11-K18 VanDerWaalsContact OG-CE 3.3Å; S11-K18 WeakPolarHBondContact OG-CE 3.06Å; Y13-K18 WeakPolarHBondContact O-CE 3.5Å; P14-K18 PolarHBondContact O-N 3.22Å; P14-K18 VanDerWaalsContact O-N 3.12Å; E15-K18 PolarHBondContact O-N 3.31Å; E15-K18 VanDerWaalsContact O-N 3.15Å; K18-I20 PolarHBondContact O-N 3.47Å; K18-L21 PolarHBondContact O-N 2.95Å; K18-L22 WeakPolarHBondContact O-CB 3.35Å; K18-L22 VanDerWaalsContact O-CG 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.21Å; K18-L22 PolarHBondContact O-N 3.01Å; K18-Y59 HydrophobicContact CB-CE2 3.57Å; K18-Y59 HydrophobicContact CD-CE2 4.03Å; K18-Y59 WeakPolarHBondContact CD-OH 3.42Å; K18-Y59 HydrophobicContact CG-CE2 4.48Å |
| 19 | I | 91.1 | Very high | 88.9 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.7 | -73.1 | 169 | 0 | 0 | 0 | 111.6 | E15 T17 L21 L22 K23 L58 Y59 V62 | E15-I19 WeakPolarHBondContact O-CB 3.49Å; E15-I19 VanDerWaalsContact O-CG1 3.26Å; E15-I19 WeakPolarHBondContact O-CG1 3.47Å; E15-I19 PolarHBondContact O-N 2.86Å; T17-I19 VanDerWaalsContact C-N 3.32Å; T17-I19 PolarHBondContact O-N 3.4Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.49Å; I19-L22 PolarHBondContact O-N 3.32Å; I19-K23 HydrophobicContact CG2-CD 4.24Å; I19-K23 WeakPolarHBondContact O-CG 3.3Å; I19-K23 PolarHBondContact O-N 3.11Å; I19-L58 HydrophobicContact CD1-CD2 4.03Å; I19-L58 HydrophobicContact CD1-CG 4.14Å; I19-Y59 HydrophobicContact CD1-CD2 4.41Å; I19-Y59 HydrophobicContact CG1-CD2 3.8Å; I19-Y59 HydrophobicContact CG1-CE2 4.46Å; I19-V62 HydrophobicContact CG1-CG2 4.46Å; I19-V62 HydrophobicContact CG2-CG1 4.33Å; I19-V62 HydrophobicContact CG2-CG2 4.1Å |
| 20 | I | 91.7 | Very high | 89.1 | Confident | 100 Ų | 100 | 65.6 Ų | 65.6 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 179.4 | -66.2 | 167 | 0 | 0 | 0 | 110.4 | S16 T17 K18 K24 | S16-I20 WeakPolarHBondContact O-CG1 3.44Å; S16-I20 PolarHBondContact O-N 3.39Å; T17-I20 PolarHBondContact O-N 3.08Å; K18-I20 PolarHBondContact O-N 3.47Å; I20-K24 PolarHBondContact O-N 2.9Å |
| 21 | L | 92.3 | Very high | 89.5 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.8 | -42.9 | -180 | -67.1 | 174.8 | 0 | 0 | 0 | 111.9 | L8 T17 K18 I19 K23 K24 L25 | L8-L21 HydrophobicContact CD1-CB 4.17Å; L8-L21 HydrophobicContact CD1-CD1 3.64Å; L8-L21 HydrophobicContact CD2-CB 3.72Å; T17-L21 HydrophobicContact CG2-CD1 4.28Å; T17-L21 WeakPolarHBondContact O-CG 3.24Å; T17-L21 PolarHBondContact O-N 2.74Å; K18-L21 PolarHBondContact O-N 2.95Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.49Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 2.96Å; L21-K24 PolarHBondContact O-N 3.14Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.34Å |
| 22 | L | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 175.9 | -72.5 | 169.3 | 0 | 0 | 0 | 111.8 | L8 K18 I19 L25 R26 Y59 V62 V63 L66 | L8-L22 HydrophobicContact CD2-CD2 3.81Å; L8-L22 HydrophobicContact CD2-CG 3.89Å; K18-L22 WeakPolarHBondContact O-CB 3.35Å; K18-L22 VanDerWaalsContact O-CG 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.21Å; K18-L22 PolarHBondContact O-N 3.01Å; I19-L22 PolarHBondContact O-N 3.32Å; L22-L25 PolarHBondContact O-N 3.41Å; L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 PolarHBondContact O-N 3.39Å; L22-Y59 HydrophobicContact CD1-CD2 4.34Å; L22-Y59 HydrophobicContact CD1-CE2 3.5Å; L22-V62 HydrophobicContact CB-CG1 3.79Å; L22-V62 HydrophobicContact CD1-CG1 4.22Å; L22-V63 HydrophobicContact CD1-CG2 3.66Å; L22-L66 HydrophobicContact CD2-CD2 3.6Å |
| 23 | K | 92 | Very high | 89.7 | Confident | 95 Ų | 95 | 75.3 Ų | 75.3 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.1 | -74.7 | 179.9 | 177.2 | -176.5 | 0 | 112.2 | I19 L21 L25 R26 D27 V62 | I19-K23 HydrophobicContact CG2-CD 4.24Å; I19-K23 WeakPolarHBondContact O-CG 3.3Å; I19-K23 PolarHBondContact O-N 3.11Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 2.96Å; K23-L25 VanDerWaalsContact C-N 3.35Å; K23-L25 PolarHBondContact O-N 3.39Å; K23-R26 WeakPolarHBondContact O-CB 3.45Å; K23-R26 PolarHBondContact O-N 2.65Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.26Å; K23-V62 HydrophobicContact CG-CG1 4.15Å |
| 24 | K | 91.6 | Very high | 89.7 | Confident | 142 Ų | 142 | 74.1 Ų | 74.1 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 175.8 | -72.8 | -175.6 | 177 | -173.9 | 0 | 112.5 | I20 L21 D27 H28 | I20-K24 PolarHBondContact O-N 2.9Å; L21-K24 PolarHBondContact O-N 3.14Å; K24-D27 PolarHBondContact O-N 3.35Å; K24-H28 PolarHBondContact O-N 3.27Å; K24-H28 VanDerWaalsContact O-N 3.14Å |
| 25 | L | 90.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.3 | -76.3 | 169.6 | 0 | 0 | 0 | 111.1 | M1 I5 L8 L21 L22 K23 D27 H28 I29 L66 | M1-L25 HydrophobicContact CE-CD2 3.67Å; I5-L25 HydrophobicContact CG1-CD1 4.35Å; L8-L25 HydrophobicContact CD2-CD1 3.78Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.34Å; L22-L25 PolarHBondContact O-N 3.41Å; K23-L25 VanDerWaalsContact C-N 3.35Å; K23-L25 PolarHBondContact O-N 3.39Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 3.38Å; L25-H28 WeakPolarHBondContact O-CB 3.47Å; L25-H28 PolarHBondContact O-N 3.18Å; L25-H28 VanDerWaalsContact O-N 3.09Å; L25-I29 WeakPolarHBondContact O-CG1 3.34Å; L25-I29 PolarHBondContact O-N 2.82Å; L25-L66 HydrophobicContact CB-CD1 4.15Å |
| 26 | R | 92.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 176.2 | -177.3 | -160.7 | 64.4 | -171.4 | -0.1 | 111.2 | L22 K23 H28 I29 S30 D65 L66 S69 | L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 PolarHBondContact O-N 3.39Å; K23-R26 WeakPolarHBondContact O-CB 3.45Å; K23-R26 PolarHBondContact O-N 2.65Å; R26-H28 PolarHBondContact O-N 2.95Å; R26-I29 PolarHBondContact O-N 3.44Å; R26-S30 WeakPolarHBondContact O-CB 3.18Å; R26-S30 PolarHBondContact O-N 3.49Å; R26-D65 IonicContact NH1-OD2 2.68Å; R26-L66 VanDerWaalsContact CA-CD1 3.43Å; R26-L66 HydrophobicContact CB-CB 4.46Å; R26-L66 HydrophobicContact CB-CD1 3.72Å; R26-L66 HydrophobicContact CG-CD1 4.47Å; R26-S69 VanDerWaalsContact CG-OG 3.31Å; R26-S69 WeakPolarHBondContact CG-OG 3.49Å |
| 27 | D | 90.9 | Very high | 89.9 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -28.9 | 179.2 | -60.8 | -12.3 | 0 | 0 | 0 | 111.9 | K23 K24 L25 S30 | K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.26Å; K24-D27 PolarHBondContact O-N 3.35Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 3.38Å; D27-S30 PolarHBondContact O-OG 2.96Å |
| 28 | H | 90 | Very high | 89.8 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75.4 | -48.5 | 173.5 | -167.9 | 63.9 | 0 | 0 | 0 | 112.4 | K24 L25 R26 S30 K31 | K24-H28 PolarHBondContact O-N 3.27Å; K24-H28 VanDerWaalsContact O-N 3.14Å; L25-H28 WeakPolarHBondContact O-CB 3.47Å; L25-H28 PolarHBondContact O-N 3.18Å; L25-H28 VanDerWaalsContact O-N 3.09Å; R26-H28 PolarHBondContact O-N 2.95Å; H28-S30 PolarHBondContact O-N 3.44Å; H28-K31 WeakPolarHBondContact O-CB 3.38Å; H28-K31 PolarHBondContact O-N 3.42Å; H28-K31 VanDerWaalsContact O-N 3.08Å |
| 29 | I | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -34.5 | 176.6 | -66.8 | 179 | 0 | 0 | 0 | 110.6 | I5 L25 R26 K31 L32 T35 L38 L66 I70 R73 | I5-I29 HydrophobicContact CD1-CD1 4.06Å; L25-I29 WeakPolarHBondContact O-CG1 3.34Å; L25-I29 PolarHBondContact O-N 2.82Å; R26-I29 PolarHBondContact O-N 3.44Å; I29-K31 PolarHBondContact O-N 2.91Å; I29-L32 WeakPolarHBondContact O-CB 2.97Å; I29-L32 PolarHBondContact O-N 3.27Å; I29-T35 HydrophobicContact CG2-CG2 4.19Å; I29-L38 HydrophobicContact CD1-CD1 4.05Å; I29-L38 HydrophobicContact CG1-CD1 4.44Å; I29-L38 HydrophobicContact CG2-CD1 4.48Å; I29-L66 HydrophobicContact CD1-CD1 3.65Å; I29-I70 HydrophobicContact CD1-CD1 3.97Å; I29-I70 HydrophobicContact CD1-CG1 3.88Å; I29-I70 HydrophobicContact CG2-CG1 3.91Å; I29-R73 PolarHBondContact O-NH1 3.47Å; I29-R73 PolarHBondContact O-NH2 3Å |
| 30 | S | 86.6 | Confident | 89.6 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.8 | 177.4 | 78.4 | 0 | 0 | 0 | 0 | 114.5 | R26 D27 H28 R73 | R26-S30 WeakPolarHBondContact O-CB 3.18Å; R26-S30 PolarHBondContact O-N 3.49Å; D27-S30 PolarHBondContact O-OG 2.96Å; H28-S30 PolarHBondContact O-N 3.44Å; S30-R73 VanDerWaalsContact C-NH1 3.25Å; S30-R73 PolarHBondContact O-NH1 3.34Å |
| 31 | K | 89.3 | Confident | 89.5 | Confident | 162 Ų | 162 | 67.7 Ų | 67.7 | 70% | 0.704 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -2.2 | 179.7 | -59.3 | 176.9 | -176.7 | -177.7 | 0 | 114.1 | H28 I29 | H28-K31 WeakPolarHBondContact O-CB 3.38Å; H28-K31 PolarHBondContact O-N 3.42Å; H28-K31 VanDerWaalsContact O-N 3.08Å; I29-K31 PolarHBondContact O-N 2.91Å |
| 32 | L | 87.9 | Confident | 89.4 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | trans | -85.6 | 145 | 177.1 | -59.7 | 174 | 0 | 0 | 0 | 109.8 | I29 T35 F37 R73 | I29-L32 WeakPolarHBondContact O-CB 2.97Å; I29-L32 PolarHBondContact O-N 3.27Å; L32-T35 HydrophobicContact CB-CG2 4.45Å; L32-F37 HydrophobicContact CD1-CZ 3.95Å; L32-R73 WeakPolarHBondContact O-CD 3.34Å; L32-R73 PolarHBondContact O-NE 2.99Å; L32-R73 PolarHBondContact O-NH1 3.01Å | ||
| 33 | D | 84.9 | Confident | 89.3 | Confident | 160 Ų | 160 | 65.5 Ų | 65.5 | 86% | 0.856 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -81.8 | -39.4 | 178 | -64 | -34.1 | 0 | 0 | 0 | 111.8 | R73 | D33-R73 WeakPolarHBondContact O-CD 3.19Š|
| 34 | E | 86.4 | Confident | 89.2 | Confident | 120 Ų | 120 | 63.9 Ų | 63.9 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | trans | -125.8 | 144.4 | -179.5 | -172.4 | -177.2 | 175.6 | 0 | 0 | 110.2 | D36 F37 | E34-D36 HydrophobicContact CG-CB 4.23Å; E34-F37 VanDerWaalsContact O-CE1 3.3Å; E34-F37 WeakPolarHBondContact O-CE1 3.36Å | ||
| 35 | T | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -132.1 | 13.5 | -177.7 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | I29 L32 F37 L38 I70 R73 L74 | I29-T35 HydrophobicContact CG2-CG2 4.19Å; L32-T35 HydrophobicContact CB-CG2 4.45Å; T35-F37 PolarHBondContact O-N 3.41Å; T35-L38 HydrophobicContact CG2-CD1 4.48Å; T35-L38 WeakPolarHBondContact O-CA 3.45Å; T35-L38 WeakPolarHBondContact O-CB 3.48Å; T35-L38 PolarHBondContact O-N 3.02Å; T35-I70 PolarHBondContact OG1-O 2.75Å; T35-R73 HydrophobicContact CG2-CB 3.95Å; T35-R73 VanDerWaalsContact OG1-C 3.23Å; T35-R73 WeakPolarHBondContact OG1-CB 3.25Å; T35-R73 PolarHBondContact OG1-O 3.31Å; T35-L74 WeakPolarHBondContact O-CD2 3.44Å | ||
| 36 | D | 89.2 | Confident | 89 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56.9 | -34.6 | -178.7 | -89.3 | 14.2 | 0 | 0 | 0 | 113.5 | E34 L38 K39 L74 S75 S78 | E34-D36 HydrophobicContact CG-CB 4.23Å; D36-L38 PolarHBondContact O-N 2.9Å; D36-L38 VanDerWaalsContact O-N 3.1Å; D36-K39 WeakPolarHBondContact O-CB 3.29Å; D36-K39 VanDerWaalsContact O-CG 3.31Å; D36-K39 WeakPolarHBondContact O-CG 3.48Å; D36-K39 PolarHBondContact O-N 3.49Å; D36-K39 VanDerWaalsContact O-N 3.13Å; D36-L74 VanDerWaalsContact OD1-CA 3.27Å; D36-L74 WeakPolarHBondContact OD1-CA 3.32Å; D36-S75 PolarHBondContact OD1-N 3.46Å; D36-S75 PolarHBondContact OD1-OG 3.4Å; D36-S75 VanDerWaalsContact OD2-CB 3.26Å; D36-S75 WeakPolarHBondContact OD2-CB 3.47Å; D36-S75 PolarHBondContact OD2-OG 2.67Å; D36-S78 WeakPolarHBondContact OD1-CB 3.48Å; D36-S78 PolarHBondContact OD1-OG 3.03Å; D36-S78 PolarHBondContact OD2-OG 3.48Å |
| 37 | F | 89 | Confident | 88.8 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -64.6 | -12 | 175.2 | 65.8 | -92.3 | 0 | 0 | 0 | 113.8 | L32 E34 T35 | L32-F37 HydrophobicContact CD1-CZ 3.95Å; E34-F37 VanDerWaalsContact O-CE1 3.3Å; E34-F37 WeakPolarHBondContact O-CE1 3.36Å; T35-F37 PolarHBondContact O-N 3.41Å |
| 38 | L | 89.3 | Confident | 88.5 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -101.2 | 2.1 | 177.1 | -59.9 | 178.8 | 0 | 0 | 0 | 113.3 | M1 D2 I29 T35 D36 D40 V41 I70 | M1-L38 HydrophobicContact CB-CD2 4.05Å; D2-L38 WeakPolarHBondContact OD1-CD2 3.32Å; I29-L38 HydrophobicContact CD1-CD1 4.05Å; I29-L38 HydrophobicContact CG1-CD1 4.44Å; I29-L38 HydrophobicContact CG2-CD1 4.48Å; T35-L38 HydrophobicContact CG2-CD1 4.48Å; T35-L38 WeakPolarHBondContact O-CA 3.45Å; T35-L38 WeakPolarHBondContact O-CB 3.48Å; T35-L38 PolarHBondContact O-N 3.02Å; D36-L38 PolarHBondContact O-N 2.9Å; D36-L38 VanDerWaalsContact O-N 3.1Å; L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 3.09Å; L38-V41 HydrophobicContact CD2-CG2 4.32Å; L38-V41 VanDerWaalsContact O-CB 3.24Å; L38-V41 WeakPolarHBondContact O-CB 3.43Å; L38-V41 PolarHBondContact O-N 3.15Å; L38-I70 HydrophobicContact CB-CD1 4.38Å; L38-I70 HydrophobicContact CB-CG2 3.6Å; L38-I70 HydrophobicContact CD1-CD1 4.1Å; L38-I70 HydrophobicContact CD1-CG1 4.02Å; L38-I70 HydrophobicContact CD1-CG2 4.17Å |
| 39 | K | 88.2 | Confident | 88.3 | Confident | 56 Ų | 56 | 50.9 Ų | 50.9 | 24% | 0.243 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -41.6 | -172.9 | 69.6 | -169.3 | 176.9 | -175.5 | 0 | 113.6 | D36 V41 I42 L74 S78 | D36-K39 WeakPolarHBondContact O-CB 3.29Å; D36-K39 VanDerWaalsContact O-CG 3.31Å; D36-K39 WeakPolarHBondContact O-CG 3.48Å; D36-K39 PolarHBondContact O-N 3.49Å; D36-K39 VanDerWaalsContact O-N 3.13Å; K39-V41 VanDerWaalsContact C-N 3.26Å; K39-V41 PolarHBondContact O-N 3.37Å; K39-I42 WeakPolarHBondContact O-CB 3.44Å; K39-I42 PolarHBondContact O-N 3.26Å; K39-L74 HydrophobicContact CB-CD2 3.99Å; K39-S78 WeakPolarHBondContact CD-OG 3.4Å |
| 40 | D | 88.1 | Confident | 88 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 43% | 0.428 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.7 | -23.2 | -179.1 | -60.9 | -33 | 0 | 0 | 0 | 112.4 | L38 I42 F43 T44 H81 | L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 3.09Å; D40-I42 VanDerWaalsContact C-N 3.29Å; D40-I42 PolarHBondContact O-N 3.33Å; D40-F43 PolarHBondContact O-N 3.41Å; D40-T44 WeakPolarHBondContact O-CB 3.09Å; D40-T44 PolarHBondContact O-N 3.41Å; D40-T44 PolarHBondContact O-OG1 3.46Å; D40-H81 IonicContact OD1-CE1 3.57Å |
| 41 | V | 89.7 | Confident | 87.8 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | D2 I5 T6 L38 K39 F43 T44 C45 | D2-V41 HydrophobicContact CB-CG2 3.37Å; D2-V41 WeakPolarHBondContact OD1-CG2 3.35Å; I5-V41 HydrophobicContact CB-CG1 3.92Å; I5-V41 HydrophobicContact CD1-CG1 4.07Å; I5-V41 HydrophobicContact CG2-CG1 3.65Å; T6-V41 HydrophobicContact CG2-CG1 4.44Å; L38-V41 HydrophobicContact CD2-CG2 4.32Å; L38-V41 VanDerWaalsContact O-CB 3.24Å; L38-V41 WeakPolarHBondContact O-CB 3.43Å; L38-V41 PolarHBondContact O-N 3.15Å; K39-V41 VanDerWaalsContact C-N 3.26Å; K39-V41 PolarHBondContact O-N 3.37Å; V41-F43 PolarHBondContact O-N 3.21Å; V41-T44 PolarHBondContact O-N 3.44Å; V41-C45 WeakPolarHBondContact O-CB 3.47Å; V41-C45 PolarHBondContact O-N 3.06Å; V41-C45 PolarHBondContact O-SG 3.21Å |
| 42 | I | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.3 | -51.5 | 179.4 | -57.5 | -175.3 | 0 | 0 | 0 | 110 | K39 D40 T44 C45 I46 L67 I70 E71 L74 L82 F105 I109 | K39-I42 WeakPolarHBondContact O-CB 3.44Å; K39-I42 PolarHBondContact O-N 3.26Å; D40-I42 VanDerWaalsContact C-N 3.29Å; D40-I42 PolarHBondContact O-N 3.33Å; I42-T44 VanDerWaalsContact C-N 3.34Å; I42-T44 PolarHBondContact O-N 3.31Å; I42-C45 WeakPolarHBondContact O-CB 3.28Å; I42-C45 PolarHBondContact O-N 2.88Å; I42-I46 HydrophobicContact CG2-CD1 3.97Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.28Å; I42-L67 HydrophobicContact CB-CD2 4.46Å; I42-L67 HydrophobicContact CG1-CD2 4.24Å; I42-L67 HydrophobicContact CG2-CD1 4.49Å; I42-L67 HydrophobicContact CG2-CD2 4.42Å; I42-I70 HydrophobicContact CD1-CB 4.03Å; I42-I70 HydrophobicContact CD1-CG2 3.72Å; I42-I70 HydrophobicContact CG1-CB 4.33Å; I42-I70 HydrophobicContact CG1-CG2 4Å; I42-E71 HydrophobicContact CD1-CB 4.28Å; I42-L74 HydrophobicContact CD1-CD1 3.9Å; I42-L82 HydrophobicContact CB-CD1 4.11Å; I42-L82 HydrophobicContact CB-CD2 4.13Å; I42-L82 HydrophobicContact CD1-CD2 3.89Å; I42-L82 HydrophobicContact CG2-CD1 4.23Å; I42-L82 HydrophobicContact CG2-CD2 3.97Å; I42-F105 HydrophobicContact CD1-CZ 4.45Å; I42-F105 HydrophobicContact CG2-CE1 3.52Å; I42-F105 HydrophobicContact CG2-CZ 3.71Å; I42-I109 HydrophobicContact CG2-CD1 4.3Å |
| 43 | F | 90.5 | Very high | 86.1 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.3 | 179.4 | -101.5 | 0 | 0 | 0 | 112 | D40 V41 C45 I46 Q47 L82 L85 I86 S89 F90 | D40-F43 PolarHBondContact O-N 3.41Å; V41-F43 PolarHBondContact O-N 3.21Å; F43-C45 VanDerWaalsContact C-N 3.29Å; F43-C45 PolarHBondContact O-N 3.02Å; F43-I46 PolarHBondContact O-N 2.72Å; F43-Q47 PolarHBondContact O-N 3.27Å; F43-L82 HydrophobicContact CB-CD1 3.94Å; F43-L85 HydrophobicContact CB-CD1 4.36Å; F43-L85 HydrophobicContact CD2-CB 3.85Å; F43-L85 HydrophobicContact CE2-CB 4.15Å; F43-L85 WeakPolarHBondContact CE2-O 3.38Å; F43-L85 HydrophobicContact CG-CB 4.17Å; F43-L85 HydrophobicContact CG-CD1 4.33Å; F43-I86 HydrophobicContact CD2-CG1 4.13Å; F43-S89 WeakPolarHBondContact CZ-OG 3.31Å; F43-F90 AromaticContact CE2-CE2 3.85Å; F43-F90 HydrophobicContact CE2-CE2 3.85Å; F43-F90 HydrophobicContact CZ-CE2 4.45Å |
| 44 | T | 89.3 | Confident | 85.6 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 37% | 0.368 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 177.7 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | T6 D40 V41 I42 Q47 D48 | T6-T44 HydrophobicContact CG2-CG2 3.66Å; D40-T44 WeakPolarHBondContact O-CB 3.09Å; D40-T44 PolarHBondContact O-N 3.41Å; D40-T44 PolarHBondContact O-OG1 3.46Å; V41-T44 PolarHBondContact O-N 3.44Å; I42-T44 VanDerWaalsContact C-N 3.34Å; I42-T44 PolarHBondContact O-N 3.31Å; T44-Q47 PolarHBondContact O-N 3.22Å; T44-D48 PolarHBondContact O-N 2.99Å |
| 45 | C | 89 | Confident | 85.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | L9 V41 I42 F43 Q47 D48 M49 L67 | L9-C45 HydrophobicContact CD1-CB 3.88Å; L9-C45 WeakPolarHBondContact CD1-SG 3.27Å; V41-C45 WeakPolarHBondContact O-CB 3.47Å; V41-C45 PolarHBondContact O-N 3.06Å; V41-C45 PolarHBondContact O-SG 3.21Å; I42-C45 WeakPolarHBondContact O-CB 3.28Å; I42-C45 PolarHBondContact O-N 2.88Å; F43-C45 VanDerWaalsContact C-N 3.29Å; F43-C45 PolarHBondContact O-N 3.02Å; C45-Q47 VanDerWaalsContact C-N 3.31Å; C45-Q47 PolarHBondContact O-N 3.23Å; C45-D48 PolarHBondContact O-N 2.71Å; C45-M49 WeakPolarHBondContact O-CB 3.4Å; C45-M49 VanDerWaalsContact O-CG 3.24Å; C45-M49 WeakPolarHBondContact O-CG 3.38Å; C45-M49 PolarHBondContact O-N 3.26Å; C45-L67 HydrophobicContact CB-CD1 4.09Å; C45-L67 HydrophobicContact CB-CD2 4.02Å |
| 46 | I | 89.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 175.4 | -67.1 | 167.1 | 0 | 0 | 0 | 110.1 | I42 F43 M49 Y50 I86 F90 F98 L102 F105 I106 | I42-I46 HydrophobicContact CG2-CD1 3.97Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.28Å; F43-I46 PolarHBondContact O-N 2.72Å; I46-M49 PolarHBondContact O-N 3.06Å; I46-Y50 WeakPolarHBondContact O-CB 2.95Å; I46-Y50 PolarHBondContact O-N 2.87Å; I46-I86 HydrophobicContact CD1-CD1 3.86Å; I46-I86 HydrophobicContact CD1-CG1 4.2Å; I46-F90 HydrophobicContact CG2-CE2 3.88Å; I46-F90 HydrophobicContact CG2-CZ 4.26Å; I46-F98 HydrophobicContact CG2-CE1 3.8Å; I46-F98 HydrophobicContact CG2-CZ 4.5Å; I46-L102 HydrophobicContact CG1-CD1 4.19Å; I46-F105 HydrophobicContact CD1-CE1 4.29Å; I46-I106 HydrophobicContact CD1-CG1 4.07Å; I46-I106 HydrophobicContact CG2-CD1 3.94Å |
| 47 | Q | 88 | Confident | 85.2 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | -179.5 | -169.9 | 177.9 | -4.9 | 0 | 0 | 112.7 | F43 T44 C45 Y50 S51 | F43-Q47 PolarHBondContact O-N 3.27Å; T44-Q47 PolarHBondContact O-N 3.22Å; C45-Q47 VanDerWaalsContact C-N 3.31Å; C45-Q47 PolarHBondContact O-N 3.23Å; Q47-Y50 PolarHBondContact O-N 3.42Å; Q47-S51 PolarHBondContact O-N 3.5Å |
| 48 | D | 85 | Confident | 85.2 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 176.5 | -173.7 | 79.2 | 0 | 0 | 0 | 111.3 | T44 C45 Y50 S51 K52 Y55 | T44-D48 PolarHBondContact O-N 2.99Å; C45-D48 PolarHBondContact O-N 2.71Å; D48-Y50 VanDerWaalsContact C-N 3.33Å; D48-Y50 PolarHBondContact O-N 2.79Å; D48-S51 PolarHBondContact O-N 2.72Å; D48-S51 PolarHBondContact O-OG 2.92Å; D48-K52 PolarHBondContact O-N 3.38Å; D48-K52 IonicContact OD1-NZ 2.73Å; D48-K52 PolarHBondContact OD1-NZ 3.45Å; D48-K52 IonicContact OD2-NZ 2.76Å; D48-K52 PolarHBondContact OD2-NZ 3.03Å; D48-Y55 PolarHBondContact OD2-OH 3.13Å |
| 49 | M | 84.7 | Confident | 85.2 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.2 | -75.3 | 178 | 74.5 | 0 | 0 | 112.6 | C45 I46 Y55 I60 V63 L102 | C45-M49 WeakPolarHBondContact O-CB 3.4Å; C45-M49 VanDerWaalsContact O-CG 3.24Å; C45-M49 WeakPolarHBondContact O-CG 3.38Å; C45-M49 PolarHBondContact O-N 3.26Å; I46-M49 PolarHBondContact O-N 3.06Å; M49-Y55 HydrophobicContact CG-CE2 4.42Å; M49-I60 HydrophobicContact CE-CB 3.88Å; M49-I60 HydrophobicContact CE-CG1 3.69Å; M49-I60 HydrophobicContact CE-CG2 3.53Å; M49-V63 HydrophobicContact SD-CB 4.18Å; M49-V63 HydrophobicContact SD-CG1 3.61Å; M49-L102 HydrophobicContact CB-CD2 3.9Å; M49-L102 HydrophobicContact CE-CB 4.43Å; M49-L102 HydrophobicContact CE-CD1 4.25Å; M49-L102 HydrophobicContact CE-CD2 3.81Å; M49-L102 HydrophobicContact CE-CG 4.4Å; M49-L102 HydrophobicContact SD-CD1 4.16Å; M49-L102 HydrophobicContact SD-CD2 4.09Å |
| 50 | Y | 82.1 | Confident | 85.3 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 38% | 0.384 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 175.5 | 178.9 | -109.4 | 0 | 0 | 0 | 112.6 | I46 Q47 D48 K52 N53 F90 V94 F98 | I46-Y50 WeakPolarHBondContact O-CB 2.95Å; I46-Y50 PolarHBondContact O-N 2.87Å; Q47-Y50 PolarHBondContact O-N 3.42Å; D48-Y50 VanDerWaalsContact C-N 3.33Å; D48-Y50 PolarHBondContact O-N 2.79Å; Y50-K52 VanDerWaalsContact C-N 3.31Å; Y50-K52 PolarHBondContact O-N 3.03Å; Y50-N53 PolarHBondContact O-OD1 2.92Å; Y50-F90 AromaticContact CD1-CE1 3.84Å; Y50-F90 HydrophobicContact CD1-CE1 3.84Å; Y50-F90 HydrophobicContact CE1-CE1 4.28Å; Y50-F90 HydrophobicContact CG-CE1 4.12Å; Y50-V94 HydrophobicContact CE2-CG1 3.82Å; Y50-F98 HydrophobicContact CD2-CD2 4.08Å; Y50-F98 HydrophobicContact CD2-CE1 4.28Å; Y50-F98 AromaticContact CD2-CE2 3.25Å; Y50-F98 HydrophobicContact CD2-CE2 3.25Å; Y50-F98 AromaticContact CD2-CZ 3.39Å; Y50-F98 HydrophobicContact CD2-CZ 3.39Å; Y50-F98 HydrophobicContact CE2-CD2 4.44Å; Y50-F98 AromaticContact CE2-CE2 3.65Å; Y50-F98 HydrophobicContact CE2-CE2 3.65Å; Y50-F98 HydrophobicContact CE2-CZ 4.18Å; Y50-F98 HydrophobicContact CG-CE2 4.04Å; Y50-F98 AromaticContact CG-CZ 3.7Å; Y50-F98 HydrophobicContact CG-CZ 3.7Å |
| 51 | S | 82.2 | Confident | 85.3 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.9 | -25.3 | -174.5 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | Q47 D48 | Q47-S51 PolarHBondContact O-N 3.5Å; D48-S51 PolarHBondContact O-N 2.72Å; D48-S51 PolarHBondContact O-OG 2.92Å |
| 52 | K | 75.3 | Confident | 85.4 | Confident | 85 Ų | 85 | 55 Ų | 55 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -106.4 | -12.1 | -167.1 | -82.4 | 169.2 | 179.1 | 158.6 | 0 | 116 | D48 Y50 D54 Y55 | D48-K52 PolarHBondContact O-N 3.38Å; D48-K52 IonicContact OD1-NZ 2.73Å; D48-K52 PolarHBondContact OD1-NZ 3.45Å; D48-K52 IonicContact OD2-NZ 2.76Å; D48-K52 PolarHBondContact OD2-NZ 3.03Å; Y50-K52 VanDerWaalsContact C-N 3.31Å; Y50-K52 PolarHBondContact O-N 3.03Å; K52-D54 PolarHBondContact O-N 3.46Å; K52-Y55 HydrophobicContact CB-CD2 4.47Å; K52-Y55 HydrophobicContact CB-CE2 3.66Å; K52-Y55 HydrophobicContact CD-CE2 4.33Å; K52-Y55 WeakPolarHBondContact CD-OH 3.08Å |
| 53 | N | 66.1 | Low | 85.5 | Confident | 134 Ų | 134 | 55 Ų | 55 | 72% | 0.717 | 29% | 0.288 | S | S | * | . | trans | 42.3 | -6.1 | 174 | -87.8 | -1 | 0 | 0 | 0 | 121 | Y50 | Y50-N53 PolarHBondContact O-OD1 2.92Š| ||
| 54 | D | 76.2 | Confident | 85.5 | Confident | 157 Ų | 157 | 54.1 Ų | 54.1 | 84% | 0.84 | 28% | 0.284 | S | S | * | . | trans | -108.8 | 14.6 | -169.8 | -85.4 | -16 | 0 | 0 | 0 | 113.8 | K52 | K52-D54 PolarHBondContact O-N 3.46Š| ||
| 55 | Y | 82.9 | Confident | 85.6 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | trans | -77.8 | 141.3 | -179.2 | -65.1 | -62.3 | 0 | 0 | 0 | 112.6 | D48 M49 K52 Y59 | D48-Y55 PolarHBondContact OD2-OH 3.13Å; M49-Y55 HydrophobicContact CG-CE2 4.42Å; K52-Y55 HydrophobicContact CB-CD2 4.47Å; K52-Y55 HydrophobicContact CB-CE2 3.66Å; K52-Y55 HydrophobicContact CD-CE2 4.33Å; K52-Y55 WeakPolarHBondContact CD-OH 3.08Å; Y55-Y59 AromaticContact CD1-CD1 3.53Å; Y55-Y59 HydrophobicContact CD1-CD1 3.53Å; Y55-Y59 AromaticContact CD1-CE1 3.66Å; Y55-Y59 HydrophobicContact CD1-CE1 3.66Å; Y55-Y59 HydrophobicContact CE1-CD1 4.18Å; Y55-Y59 AromaticContact CE1-CE1 3.81Å; Y55-Y59 HydrophobicContact CE1-CE1 3.81Å; Y55-Y59 AromaticContact CG-CD1 3.95Å; Y55-Y59 HydrophobicContact CG-CD1 3.95Å; Y55-Y59 HydrophobicContact CG-CE1 4.31Å | ||
| 56 | S | 86.9 | Confident | 85.8 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | trans | -67.8 | 149.8 | 173 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | E15 L58 Y59 I60 | E15-S56 PolarHBondContact OE1-N 3.48Å; E15-S56 WeakPolarHBondContact OE2-CB 3.19Å; E15-S56 PolarHBondContact OE2-OG 2.72Å; S56-L58 PolarHBondContact O-N 3.41Å; S56-Y59 WeakPolarHBondContact O-CB 3.29Å; S56-Y59 PolarHBondContact O-N 2.89Å; S56-Y59 WeakPolarHBondContact OG-CB 3.49Å; S56-Y59 PolarHBondContact OG-N 3Å; S56-I60 WeakPolarHBondContact O-CG1 3.37Å; S56-I60 PolarHBondContact O-N 3.12Å | ||
| 57 | Q | 86.3 | Confident | 86 | Confident | 116 Ų | 116 | 54.1 Ų | 54.1 | 54% | 0.542 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.4 | -38.6 | 176 | -75.6 | -69.6 | -15.3 | 0 | 0 | 112.6 | I60 S61 | Q57-I60 PolarHBondContact O-N 3.41Å; Q57-S61 WeakPolarHBondContact O-CB 3.24Å; Q57-S61 PolarHBondContact O-N 3.4Å |
| 58 | L | 88.7 | Confident | 86.1 | Confident | 113 Ų | 113 | 51.4 Ų | 51.4 | 59% | 0.592 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 176.4 | -178.3 | 66.8 | 0 | 0 | 0 | 111.6 | I19 S56 V62 | I19-L58 HydrophobicContact CD1-CD2 4.03Å; I19-L58 HydrophobicContact CD1-CG 4.14Å; S56-L58 PolarHBondContact O-N 3.41Å; L58-V62 WeakPolarHBondContact O-CG2 3.35Å; L58-V62 PolarHBondContact O-N 2.97Å; L58-V62 VanDerWaalsContact O-N 3.14Å |
| 59 | Y | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 177.5 | -174.6 | -108.2 | 0 | 0 | 0 | 111.2 | L9 E15 K18 I19 L22 Y55 S56 S61 V62 V63 | L9-Y59 HydrophobicContact CD2-CE1 4.11Å; L9-Y59 WeakPolarHBondContact CD2-OH 3.44Å; E15-Y59 HydrophobicContact CB-CD2 4.44Å; E15-Y59 HydrophobicContact CG-CD2 4.44Å; E15-Y59 HydrophobicContact CG-CG 4.46Å; K18-Y59 HydrophobicContact CB-CE2 3.57Å; K18-Y59 HydrophobicContact CD-CE2 4.03Å; K18-Y59 WeakPolarHBondContact CD-OH 3.42Å; K18-Y59 HydrophobicContact CG-CE2 4.48Å; I19-Y59 HydrophobicContact CD1-CD2 4.41Å; I19-Y59 HydrophobicContact CG1-CD2 3.8Å; I19-Y59 HydrophobicContact CG1-CE2 4.46Å; L22-Y59 HydrophobicContact CD1-CD2 4.34Å; L22-Y59 HydrophobicContact CD1-CE2 3.5Å; Y55-Y59 AromaticContact CD1-CD1 3.53Å; Y55-Y59 HydrophobicContact CD1-CD1 3.53Å; Y55-Y59 AromaticContact CD1-CE1 3.66Å; Y55-Y59 HydrophobicContact CD1-CE1 3.66Å; Y55-Y59 HydrophobicContact CE1-CD1 4.18Å; Y55-Y59 AromaticContact CE1-CE1 3.81Å; Y55-Y59 HydrophobicContact CE1-CE1 3.81Å; Y55-Y59 AromaticContact CG-CD1 3.95Å; Y55-Y59 HydrophobicContact CG-CD1 3.95Å; Y55-Y59 HydrophobicContact CG-CE1 4.31Å; S56-Y59 WeakPolarHBondContact O-CB 3.29Å; S56-Y59 PolarHBondContact O-N 2.89Å; S56-Y59 WeakPolarHBondContact OG-CB 3.49Å; S56-Y59 PolarHBondContact OG-N 3Å; Y59-S61 VanDerWaalsContact C-N 3.33Å; Y59-S61 PolarHBondContact O-N 2.82Å; Y59-V62 PolarHBondContact O-N 3.01Å; Y59-V62 VanDerWaalsContact O-N 3.15Å; Y59-V63 HydrophobicContact CD1-CG2 4.21Å; Y59-V63 HydrophobicContact CE1-CG2 3.84Å; Y59-V63 HydrophobicContact CE2-CG2 4.39Å; Y59-V63 WeakPolarHBondContact O-CG2 3.31Å; Y59-V63 PolarHBondContact O-N 2.91Å |
| 60 | I | 88.8 | Confident | 86.8 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 178.3 | -67.6 | 162.2 | 0 | 0 | 0 | 110.8 | M49 S56 Q57 V62 V63 C64 P99 A101 L102 | M49-I60 HydrophobicContact CE-CB 3.88Å; M49-I60 HydrophobicContact CE-CG1 3.69Å; M49-I60 HydrophobicContact CE-CG2 3.53Å; S56-I60 WeakPolarHBondContact O-CG1 3.37Å; S56-I60 PolarHBondContact O-N 3.12Å; Q57-I60 PolarHBondContact O-N 3.41Å; I60-V62 VanDerWaalsContact C-N 3.35Å; I60-V62 PolarHBondContact O-N 2.98Å; I60-V63 PolarHBondContact O-N 3.33Å; I60-C64 PolarHBondContact O-N 3.34Å; I60-C64 PolarHBondContact O-SG 3.17Å; I60-P99 HydrophobicContact CD1-CB 3.75Å; I60-P99 HydrophobicContact CD1-CG 3.77Å; I60-P99 HydrophobicContact CG2-CB 4.22Å; I60-A101 HydrophobicContact CG2-CB 4.16Å; I60-L102 HydrophobicContact CG2-CB 4.33Å |
| 61 | S | 89.8 | Confident | 87.3 | Confident | 48 Ų | 48 | 46 Ų | 46 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 177 | 170.7 | 0 | 0 | 0 | 0 | 112.6 | Q57 Y59 V63 C64 D65 | Q57-S61 WeakPolarHBondContact O-CB 3.24Å; Q57-S61 PolarHBondContact O-N 3.4Å; Y59-S61 VanDerWaalsContact C-N 3.33Å; Y59-S61 PolarHBondContact O-N 2.82Å; S61-V63 VanDerWaalsContact C-N 3.34Å; S61-V63 PolarHBondContact O-N 2.68Å; S61-C64 PolarHBondContact O-N 2.86Å; S61-D65 PolarHBondContact O-N 3.42Å |
| 62 | V | 91.8 | Very high | 87.6 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 112 | I19 L22 K23 L58 Y59 I60 D65 L66 | I19-V62 HydrophobicContact CG1-CG2 4.46Å; I19-V62 HydrophobicContact CG2-CG1 4.33Å; I19-V62 HydrophobicContact CG2-CG2 4.1Å; L22-V62 HydrophobicContact CB-CG1 3.79Å; L22-V62 HydrophobicContact CD1-CG1 4.22Å; K23-V62 HydrophobicContact CG-CG1 4.15Å; L58-V62 WeakPolarHBondContact O-CG2 3.35Å; L58-V62 PolarHBondContact O-N 2.97Å; L58-V62 VanDerWaalsContact O-N 3.14Å; Y59-V62 PolarHBondContact O-N 3.01Å; Y59-V62 VanDerWaalsContact O-N 3.15Å; I60-V62 VanDerWaalsContact C-N 3.35Å; I60-V62 PolarHBondContact O-N 2.98Å; V62-D65 PolarHBondContact O-N 3.49Å; V62-L66 PolarHBondContact O-N 3.07Å |
| 63 | V | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 172.7 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | L9 L22 M49 Y59 I60 S61 D65 L66 L67 | L9-V63 HydrophobicContact CD2-CG1 4.27Å; L9-V63 HydrophobicContact CD2-CG2 3.8Å; L22-V63 HydrophobicContact CD1-CG2 3.66Å; M49-V63 HydrophobicContact SD-CB 4.18Å; M49-V63 HydrophobicContact SD-CG1 3.61Å; Y59-V63 HydrophobicContact CD1-CG2 4.21Å; Y59-V63 HydrophobicContact CE1-CG2 3.84Å; Y59-V63 HydrophobicContact CE2-CG2 4.39Å; Y59-V63 WeakPolarHBondContact O-CG2 3.31Å; Y59-V63 PolarHBondContact O-N 2.91Å; I60-V63 PolarHBondContact O-N 3.33Å; S61-V63 VanDerWaalsContact C-N 3.34Å; S61-V63 PolarHBondContact O-N 2.68Å; V63-D65 VanDerWaalsContact C-N 3.28Å; V63-D65 PolarHBondContact O-N 2.94Å; V63-L66 WeakPolarHBondContact O-CB 3.37Å; V63-L66 PolarHBondContact O-N 3.46Å; V63-L66 VanDerWaalsContact O-N 3.08Å; V63-L67 HydrophobicContact CG1-CD1 4.04Å; V63-L67 HydrophobicContact CG1-CG 4.17Å; V63-L67 WeakPolarHBondContact O-CG 3.27Å; V63-L67 PolarHBondContact O-N 2.99Å |
| 64 | C | 92.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -36.8 | 176.6 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | I60 S61 L66 L67 N68 A101 | I60-C64 PolarHBondContact O-N 3.34Å; I60-C64 PolarHBondContact O-SG 3.17Å; S61-C64 PolarHBondContact O-N 2.86Å; C64-L66 PolarHBondContact O-N 3.43Å; C64-L67 PolarHBondContact O-N 3.17Å; C64-N68 VanDerWaalsContact O-CB 3.29Å; C64-N68 WeakPolarHBondContact O-CB 3.3Å; C64-N68 PolarHBondContact O-N 3.31Å; C64-N68 PolarHBondContact O-ND2 3.34Å; C64-N68 VanDerWaalsContact O-ND2 3.09Å; C64-A101 PolarHBondContact SG-O 2.87Å |
| 65 | D | 91.3 | Very high | 90.4 | Very high | 61 Ų | 61 | 32.7 Ų | 32.7 | 33% | 0.326 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 174 | -75.4 | -8.4 | 0 | 0 | 0 | 112.8 | R26 S61 V62 V63 S69 | R26-D65 IonicContact NH1-OD2 2.68Å; S61-D65 PolarHBondContact O-N 3.42Å; V62-D65 PolarHBondContact O-N 3.49Å; V63-D65 VanDerWaalsContact C-N 3.28Å; V63-D65 PolarHBondContact O-N 2.94Å; D65-S69 PolarHBondContact O-N 3.43Å; D65-S69 PolarHBondContact O-OG 3.49Å |
| 66 | L | 92.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -49.5 | 174 | 176.9 | 69 | 0 | 0 | 0 | 110.3 | I5 L22 L25 R26 I29 V62 V63 C64 N68 S69 I70 | I5-L66 HydrophobicContact CG2-CD2 4.21Å; L22-L66 HydrophobicContact CD2-CD2 3.6Å; L25-L66 HydrophobicContact CB-CD1 4.15Å; R26-L66 VanDerWaalsContact CA-CD1 3.43Å; R26-L66 HydrophobicContact CB-CB 4.46Å; R26-L66 HydrophobicContact CB-CD1 3.72Å; R26-L66 HydrophobicContact CG-CD1 4.47Å; I29-L66 HydrophobicContact CD1-CD1 3.65Å; V62-L66 PolarHBondContact O-N 3.07Å; V63-L66 WeakPolarHBondContact O-CB 3.37Å; V63-L66 PolarHBondContact O-N 3.46Å; V63-L66 VanDerWaalsContact O-N 3.08Å; C64-L66 PolarHBondContact O-N 3.43Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.32Å; L66-S69 WeakPolarHBondContact O-CB 3.46Å; L66-S69 PolarHBondContact O-N 2.98Å; L66-S69 VanDerWaalsContact O-N 3.11Å; L66-I70 PolarHBondContact O-N 3.07Å |
| 67 | L | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -38.4 | -179.3 | -61.9 | -177.9 | 0 | 0 | 0 | 111.8 | I42 C45 V63 C64 S69 I70 E71 F105 | I42-L67 HydrophobicContact CB-CD2 4.46Å; I42-L67 HydrophobicContact CG1-CD2 4.24Å; I42-L67 HydrophobicContact CG2-CD1 4.49Å; I42-L67 HydrophobicContact CG2-CD2 4.42Å; C45-L67 HydrophobicContact CB-CD1 4.09Å; C45-L67 HydrophobicContact CB-CD2 4.02Å; V63-L67 HydrophobicContact CG1-CD1 4.04Å; V63-L67 HydrophobicContact CG1-CG 4.17Å; V63-L67 WeakPolarHBondContact O-CG 3.27Å; V63-L67 PolarHBondContact O-N 2.99Å; C64-L67 PolarHBondContact O-N 3.17Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.89Å; L67-I70 HydrophobicContact CD2-CD1 4.41Å; L67-I70 WeakPolarHBondContact O-CB 3.36Å; L67-I70 PolarHBondContact O-N 3.25Å; L67-E71 PolarHBondContact O-N 3.25Å; L67-F105 HydrophobicContact CB-CD1 4.42Å; L67-F105 HydrophobicContact CB-CD2 4.4Å; L67-F105 HydrophobicContact CB-CE1 3.8Å; L67-F105 HydrophobicContact CB-CE2 3.8Å; L67-F105 HydrophobicContact CB-CZ 3.46Å; L67-F105 VanDerWaalsContact CB-CZ 3.46Å; L67-F105 HydrophobicContact CD1-CD1 4.26Å; L67-F105 HydrophobicContact CD1-CE1 3.91Å; L67-F105 HydrophobicContact CD1-CZ 4.43Å; L67-F105 HydrophobicContact CG-CE1 4.49Å |
| 68 | N | 91.3 | Very high | 91.5 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 172.6 | -89 | -49.7 | 0 | 0 | 0 | 112.5 | C64 L66 I70 E71 S72 F105 K108 | C64-N68 VanDerWaalsContact O-CB 3.29Å; C64-N68 WeakPolarHBondContact O-CB 3.3Å; C64-N68 PolarHBondContact O-N 3.31Å; C64-N68 PolarHBondContact O-ND2 3.34Å; C64-N68 VanDerWaalsContact O-ND2 3.09Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.32Å; N68-I70 VanDerWaalsContact C-N 3.26Å; N68-I70 PolarHBondContact O-N 3.32Å; N68-E71 PolarHBondContact O-N 3.01Å; N68-S72 WeakPolarHBondContact O-CB 3.38Å; N68-S72 PolarHBondContact O-N 3.16Å; N68-S72 VanDerWaalsContact O-N 3.08Å; N68-S72 PolarHBondContact O-OG 2.95Å; N68-F105 WeakPolarHBondContact OD1-CD2 3.5Å; N68-K108 PolarHBondContact OD1-NZ 2.84Å |
| 69 | S | 90.5 | Very high | 91.7 | Very high | 22 Ų | 22 | 27.8 Ų | 27.8 | 15% | 0.154 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.6 | -33 | 176 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | R26 D65 L66 L67 S72 R73 | R26-S69 VanDerWaalsContact CG-OG 3.31Å; R26-S69 WeakPolarHBondContact CG-OG 3.49Å; D65-S69 PolarHBondContact O-N 3.43Å; D65-S69 PolarHBondContact O-OG 3.49Å; L66-S69 WeakPolarHBondContact O-CB 3.46Å; L66-S69 PolarHBondContact O-N 2.98Å; L66-S69 VanDerWaalsContact O-N 3.11Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.89Å; S69-S72 PolarHBondContact O-OG 2.68Å; S69-S72 VanDerWaalsContact O-OG 3.13Å; S69-R73 PolarHBondContact O-NE 3Å; S69-R73 PolarHBondContact O-NH2 2.92Å |
| 70 | I | 92.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.3 | -49.7 | 174.9 | -57.8 | 171.6 | 0 | 0 | 0 | 110.4 | I5 I29 T35 L38 I42 L66 L67 N68 S72 R73 | I5-I70 HydrophobicContact CD1-CD1 4.46Å; I29-I70 HydrophobicContact CD1-CD1 3.97Å; I29-I70 HydrophobicContact CD1-CG1 3.88Å; I29-I70 HydrophobicContact CG2-CG1 3.91Å; T35-I70 PolarHBondContact OG1-O 2.75Å; L38-I70 HydrophobicContact CB-CD1 4.38Å; L38-I70 HydrophobicContact CB-CG2 3.6Å; L38-I70 HydrophobicContact CD1-CD1 4.1Å; L38-I70 HydrophobicContact CD1-CG1 4.02Å; L38-I70 HydrophobicContact CD1-CG2 4.17Å; I42-I70 HydrophobicContact CD1-CB 4.03Å; I42-I70 HydrophobicContact CD1-CG2 3.72Å; I42-I70 HydrophobicContact CG1-CB 4.33Å; I42-I70 HydrophobicContact CG1-CG2 4Å; L66-I70 PolarHBondContact O-N 3.07Å; L67-I70 HydrophobicContact CD2-CD1 4.41Å; L67-I70 WeakPolarHBondContact O-CB 3.36Å; L67-I70 PolarHBondContact O-N 3.25Å; N68-I70 VanDerWaalsContact C-N 3.26Å; N68-I70 PolarHBondContact O-N 3.32Å; I70-S72 VanDerWaalsContact C-N 3.34Å; I70-S72 PolarHBondContact O-N 3.06Å; I70-R73 PolarHBondContact O-N 3.03Å |
| 71 | E | 92.2 | Very high | 92 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | -175.7 | -177.4 | -77 | 137 | 0 | 0 | 112.7 | I42 L67 N68 R73 L74 F105 K108 I109 R112 | I42-E71 HydrophobicContact CD1-CB 4.28Å; L67-E71 PolarHBondContact O-N 3.25Å; N68-E71 PolarHBondContact O-N 3.01Å; E71-R73 PolarHBondContact O-N 2.79Å; E71-L74 PolarHBondContact O-N 3.21Å; E71-F105 HydrophobicContact CB-CE2 3.94Å; E71-F105 HydrophobicContact CB-CZ 4.15Å; E71-F105 HydrophobicContact CG-CE2 4.41Å; E71-K108 VanDerWaalsContact OE2-CE 3.31Å; E71-K108 WeakPolarHBondContact OE2-CE 3.29Å; E71-K108 IonicContact OE2-NZ 2.63Å; E71-K108 PolarHBondContact OE2-NZ 3.25Å; E71-I109 HydrophobicContact CG-CG1 3.9Å; E71-R112 PolarHBondContact O-NH1 3.34Å; E71-R112 VanDerWaalsContact OE1-CD 3.23Å; E71-R112 WeakPolarHBondContact OE1-CD 3.12Å; E71-R112 IonicContact OE1-CZ 3.61Å; E71-R112 IonicContact OE1-NE 3.41Å; E71-R112 IonicContact OE1-NH1 3.74Å; E71-R112 PolarHBondContact OE1-NH1 3.15Å |
| 72 | S | 89.9 | Confident | 92.2 | Very high | 69 Ų | 69 | 30.6 Ų | 30.6 | 48% | 0.483 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -13.5 | -178.1 | 61.7 | 0 | 0 | 0 | 0 | 115.7 | N68 S69 I70 | N68-S72 WeakPolarHBondContact O-CB 3.38Å; N68-S72 PolarHBondContact O-N 3.16Å; N68-S72 VanDerWaalsContact O-N 3.08Å; N68-S72 PolarHBondContact O-OG 2.95Å; S69-S72 PolarHBondContact O-OG 2.68Å; S69-S72 VanDerWaalsContact O-OG 3.13Å; I70-S72 VanDerWaalsContact C-N 3.34Å; I70-S72 PolarHBondContact O-N 3.06Å |
| 73 | R | 90 | Very high | 92.3 | Very high | 59 Ų | 59 | 30.2 Ų | 30.2 | 22% | 0.223 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 9.1 | -178.9 | -79.1 | 176.2 | -74.7 | -120 | -16.1 | 113.9 | I29 S30 L32 D33 T35 S69 I70 E71 | I29-R73 PolarHBondContact O-NH1 3.47Å; I29-R73 PolarHBondContact O-NH2 3Å; S30-R73 VanDerWaalsContact C-NH1 3.25Å; S30-R73 PolarHBondContact O-NH1 3.34Å; L32-R73 WeakPolarHBondContact O-CD 3.34Å; L32-R73 PolarHBondContact O-NE 2.99Å; L32-R73 PolarHBondContact O-NH1 3.01Å; D33-R73 WeakPolarHBondContact O-CD 3.19Å; T35-R73 HydrophobicContact CG2-CB 3.95Å; T35-R73 VanDerWaalsContact OG1-C 3.23Å; T35-R73 WeakPolarHBondContact OG1-CB 3.25Å; T35-R73 PolarHBondContact OG1-O 3.31Å; S69-R73 PolarHBondContact O-NE 3Å; S69-R73 PolarHBondContact O-NH2 2.92Å; I70-R73 PolarHBondContact O-N 3.03Å; E71-R73 PolarHBondContact O-N 2.79Å |
| 74 | L | 91.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | trans | -69.8 | 145.4 | 170.1 | -66.9 | 179.3 | 0 | 0 | 0 | 110.3 | T35 D36 K39 I42 E71 L82 R112 | T35-L74 WeakPolarHBondContact O-CD2 3.44Å; D36-L74 VanDerWaalsContact OD1-CA 3.27Å; D36-L74 WeakPolarHBondContact OD1-CA 3.32Å; K39-L74 HydrophobicContact CB-CD2 3.99Å; I42-L74 HydrophobicContact CD1-CD1 3.9Å; E71-L74 PolarHBondContact O-N 3.21Å; L74-L82 HydrophobicContact CD1-CD2 3.97Å; L74-R112 PolarHBondContact O-NH2 2.84Å | ||
| 75 | S | 93.5 | Very high | 92.4 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | trans | -68.5 | 166.7 | 165.4 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | D36 S78 T79 | D36-S75 PolarHBondContact OD1-N 3.46Å; D36-S75 PolarHBondContact OD1-OG 3.4Å; D36-S75 VanDerWaalsContact OD2-CB 3.26Å; D36-S75 WeakPolarHBondContact OD2-CB 3.47Å; D36-S75 PolarHBondContact OD2-OG 2.67Å; S75-S78 PolarHBondContact O-N 3.21Å; S75-S78 WeakPolarHBondContact OG-CB 3.15Å; S75-S78 PolarHBondContact OG-N 3Å; S75-S78 PolarHBondContact OG-OG 2.9Å; S75-T79 WeakPolarHBondContact O-CB 3.43Å; S75-T79 PolarHBondContact O-N 3.15Å; S75-T79 PolarHBondContact O-OG1 3.42Å | ||
| 76 | D | 92.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 40% | 0.401 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.8 | -68.5 | -12.2 | 0 | 0 | 0 | 111.3 | S78 T79 I80 R112 I116 | D76-S78 VanDerWaalsContact C-N 3.35Å; D76-S78 PolarHBondContact O-N 3.38Å; D76-T79 WeakPolarHBondContact O-CB 3.35Å; D76-T79 PolarHBondContact O-N 3.27Å; D76-I80 VanDerWaalsContact O-CG1 3.27Å; D76-I80 WeakPolarHBondContact O-CG1 3.44Å; D76-I80 PolarHBondContact O-N 2.99Å; D76-R112 IonicContact OD1-NH2 2.72Å; D76-I116 HydrophobicContact CB-CD1 3.68Å; D76-I116 HydrophobicContact CB-CG1 4.16Å; D76-I116 HydrophobicContact CB-CG2 4.41Å |
| 77 | D | 92.9 | Very high | 92.4 | Very high | 128 Ų | 128 | 36.8 Ų | 36.8 | 68% | 0.684 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60.2 | -43.2 | 174.2 | -71.1 | -37.3 | 0 | 0 | 0 | 112.2 | T79 I80 H81 | D77-T79 VanDerWaalsContact C-N 3.33Å; D77-I80 PolarHBondContact O-N 2.92Å; D77-H81 WeakPolarHBondContact O-CB 3.28Å; D77-H81 PolarHBondContact O-N 3.48Å |
| 78 | S | 93.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -33.1 | 177.5 | -73 | 0 | 0 | 0 | 0 | 112.2 | D36 K39 S75 D76 L82 | D36-S78 WeakPolarHBondContact OD1-CB 3.48Å; D36-S78 PolarHBondContact OD1-OG 3.03Å; D36-S78 PolarHBondContact OD2-OG 3.48Å; K39-S78 WeakPolarHBondContact CD-OG 3.4Å; S75-S78 PolarHBondContact O-N 3.21Å; S75-S78 WeakPolarHBondContact OG-CB 3.15Å; S75-S78 PolarHBondContact OG-N 3Å; S75-S78 PolarHBondContact OG-OG 2.9Å; D76-S78 VanDerWaalsContact C-N 3.35Å; D76-S78 PolarHBondContact O-N 3.38Å; S78-L82 VanDerWaalsContact O-CB 3.32Å; S78-L82 WeakPolarHBondContact O-CB 3.37Å; S78-L82 PolarHBondContact O-N 3.11Å |
| 79 | T | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.9 | -45.2 | 174 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S75 D76 D77 L82 S83 R112 I116 | S75-T79 WeakPolarHBondContact O-CB 3.43Å; S75-T79 PolarHBondContact O-N 3.15Å; S75-T79 PolarHBondContact O-OG1 3.42Å; D76-T79 WeakPolarHBondContact O-CB 3.35Å; D76-T79 PolarHBondContact O-N 3.27Å; D77-T79 VanDerWaalsContact C-N 3.33Å; T79-L82 PolarHBondContact O-N 3.11Å; T79-S83 WeakPolarHBondContact O-CB 3.4Å; T79-S83 PolarHBondContact O-N 2.9Å; T79-R112 HydrophobicContact CG2-CB 4.07Å; T79-R112 HydrophobicContact CG2-CG 3.94Å; T79-I116 HydrophobicContact CG2-CD1 4.21Å |
| 80 | I | 92.3 | Very high | 92 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -50.6 | 175.5 | -68.3 | 162.1 | 0 | 0 | 0 | 109.9 | D76 D77 L82 S83 Q84 I116 | D76-I80 VanDerWaalsContact O-CG1 3.27Å; D76-I80 WeakPolarHBondContact O-CG1 3.44Å; D76-I80 PolarHBondContact O-N 2.99Å; D77-I80 PolarHBondContact O-N 2.92Å; I80-L82 PolarHBondContact O-N 2.73Å; I80-S83 WeakPolarHBondContact O-CB 3.13Å; I80-S83 PolarHBondContact O-N 3.44Å; I80-Q84 HydrophobicContact CG2-CG 4.43Å; I80-Q84 WeakPolarHBondContact O-CG 3.46Å; I80-Q84 PolarHBondContact O-N 2.64Å; I80-I116 HydrophobicContact CD1-CG2 4.01Å; I80-I116 HydrophobicContact CG1-CG2 4.44Å |
| 81 | H | 93.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 179.3 | 179 | -92.1 | 0 | 0 | 0 | 112.1 | D40 D77 Q84 L85 | D40-H81 IonicContact OD1-CE1 3.57Å; D77-H81 WeakPolarHBondContact O-CB 3.28Å; D77-H81 PolarHBondContact O-N 3.48Å; H81-Q84 PolarHBondContact O-N 2.86Å; H81-L85 VanDerWaalsContact CE1-CD1 3.43Å; H81-L85 WeakPolarHBondContact CE1-CD1 3.25Å; H81-L85 PolarHBondContact O-N 3.37Å |
| 82 | L | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.7 | 179.5 | 62.1 | 0 | 0 | 0 | 111.6 | I42 F43 L74 S78 T79 I80 Q84 L85 I86 I109 | I42-L82 HydrophobicContact CB-CD1 4.11Å; I42-L82 HydrophobicContact CB-CD2 4.13Å; I42-L82 HydrophobicContact CD1-CD2 3.89Å; I42-L82 HydrophobicContact CG2-CD1 4.23Å; I42-L82 HydrophobicContact CG2-CD2 3.97Å; F43-L82 HydrophobicContact CB-CD1 3.94Å; L74-L82 HydrophobicContact CD1-CD2 3.97Å; S78-L82 VanDerWaalsContact O-CB 3.32Å; S78-L82 WeakPolarHBondContact O-CB 3.37Å; S78-L82 PolarHBondContact O-N 3.11Å; T79-L82 PolarHBondContact O-N 3.11Å; I80-L82 PolarHBondContact O-N 2.73Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 3.16Å; L82-L85 PolarHBondContact O-N 3.43Å; L82-I86 HydrophobicContact CD1-CD1 4.25Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 VanDerWaalsContact O-CG1 3.31Å; L82-I86 WeakPolarHBondContact O-CG1 3.3Å; L82-I86 PolarHBondContact O-N 3.45Å; L82-I109 HydrophobicContact CD2-CD1 3.67Å; L82-I109 HydrophobicContact CD2-CG1 4.26Å; L82-I109 HydrophobicContact CD2-CG2 4.13Å; L82-I109 HydrophobicContact CG-CD1 4.35Å; L82-I109 HydrophobicContact CG-CG2 4.23Å |
| 83 | S | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | T79 I80 L85 I86 T87 L110 H113 F137 | T79-S83 WeakPolarHBondContact O-CB 3.4Å; T79-S83 PolarHBondContact O-N 2.9Å; I80-S83 WeakPolarHBondContact O-CB 3.13Å; I80-S83 PolarHBondContact O-N 3.44Å; S83-L85 VanDerWaalsContact C-N 3.34Å; S83-L85 PolarHBondContact O-N 3.34Å; S83-I86 PolarHBondContact O-N 3.02Å; S83-T87 WeakPolarHBondContact O-CG2 3.33Å; S83-T87 PolarHBondContact O-N 2.86Å; S83-T87 PolarHBondContact O-OG1 3.19Å; S83-L110 VanDerWaalsContact OG-CD2 3.27Å; S83-L110 WeakPolarHBondContact OG-CD2 3.44Å; S83-H113 WeakPolarHBondContact CB-ND1 3.24Å; S83-H113 PolarHBondContact OG-ND1 3.46Å; S83-F137 WeakPolarHBondContact OG-CZ 3.47Å |
| 84 | Q | 92.7 | Very high | 89.8 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 179.3 | -72.4 | 172.6 | -9.4 | 0 | 0 | 112.3 | I80 H81 L82 T87 G88 | I80-Q84 HydrophobicContact CG2-CG 4.43Å; I80-Q84 WeakPolarHBondContact O-CG 3.46Å; I80-Q84 PolarHBondContact O-N 2.64Å; H81-Q84 PolarHBondContact O-N 2.86Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 3.16Å; Q84-T87 PolarHBondContact O-OG1 3.42Å; Q84-G88 PolarHBondContact O-N 3.22Å |
| 85 | L | 93.4 | Very high | 89.2 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 173.8 | -78.6 | 174.8 | 0 | 0 | 0 | 111.9 | F43 H81 L82 S83 S89 | F43-L85 HydrophobicContact CB-CD1 4.36Å; F43-L85 HydrophobicContact CD2-CB 3.85Å; F43-L85 HydrophobicContact CE2-CB 4.15Å; F43-L85 WeakPolarHBondContact CE2-O 3.38Å; F43-L85 HydrophobicContact CG-CB 4.17Å; F43-L85 HydrophobicContact CG-CD1 4.33Å; H81-L85 VanDerWaalsContact CE1-CD1 3.43Å; H81-L85 WeakPolarHBondContact CE1-CD1 3.25Å; H81-L85 PolarHBondContact O-N 3.37Å; L82-L85 PolarHBondContact O-N 3.43Å; S83-L85 VanDerWaalsContact C-N 3.34Å; S83-L85 PolarHBondContact O-N 3.34Å; L85-S89 WeakPolarHBondContact O-CB 3.44Å; L85-S89 PolarHBondContact O-N 3.25Å; L85-S89 PolarHBondContact O-OG 2.91Å |
| 86 | I | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -52.3 | 178.8 | -67.9 | 167.7 | 0 | 0 | 0 | 110.1 | F43 I46 L82 S83 G88 S89 F90 L95 I106 I109 | F43-I86 HydrophobicContact CD2-CG1 4.13Å; I46-I86 HydrophobicContact CD1-CD1 3.86Å; I46-I86 HydrophobicContact CD1-CG1 4.2Å; L82-I86 HydrophobicContact CD1-CD1 4.25Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 VanDerWaalsContact O-CG1 3.31Å; L82-I86 WeakPolarHBondContact O-CG1 3.3Å; L82-I86 PolarHBondContact O-N 3.45Å; S83-I86 PolarHBondContact O-N 3.02Å; I86-G88 VanDerWaalsContact C-N 3.32Å; I86-G88 PolarHBondContact O-N 3.33Å; I86-S89 PolarHBondContact O-N 2.75Å; I86-F90 HydrophobicContact CG2-CD2 4.31Å; I86-F90 WeakPolarHBondContact O-CD2 3.45Å; I86-F90 PolarHBondContact O-N 3.44Å; I86-L95 HydrophobicContact CG2-CD2 4.24Å; I86-I106 HydrophobicContact CG2-CG2 3.89Å; I86-I109 HydrophobicContact CD1-CD1 3.98Å; I86-I109 HydrophobicContact CD1-CG2 4.26Å |
| 87 | T | 90.2 | Very high | 87.7 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.5 | -26 | -175.5 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | S83 Q84 S89 L110 F137 H141 | S83-T87 WeakPolarHBondContact O-CG2 3.33Å; S83-T87 PolarHBondContact O-N 2.86Å; S83-T87 PolarHBondContact O-OG1 3.19Å; Q84-T87 PolarHBondContact O-OG1 3.42Å; T87-S89 VanDerWaalsContact C-N 3.33Å; T87-L110 HydrophobicContact CG2-CD2 3.78Å; T87-F137 HydrophobicContact CG2-CE2 3.99Å; T87-F137 HydrophobicContact CG2-CZ 4.36Å; T87-H141 VanDerWaalsContact CG2-CE1 3.47Å; T87-H141 WeakPolarHBondContact CG2-CE1 3.46Å; T87-H141 VanDerWaalsContact CG2-NE2 3.31Å; T87-H141 WeakPolarHBondContact CG2-NE2 3.46Å |
| 88 | G | 90.3 | Very high | 87.3 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -73.2 | -23.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q84 I86 | Q84-G88 PolarHBondContact O-N 3.22Å; I86-G88 VanDerWaalsContact C-N 3.32Å; I86-G88 PolarHBondContact O-N 3.33Å |
| 89 | S | 89.6 | Confident | 86.9 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -103.9 | -29.6 | -175.1 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | F43 L85 I86 T87 | F43-S89 WeakPolarHBondContact CZ-OG 3.31Å; L85-S89 WeakPolarHBondContact O-CB 3.44Å; L85-S89 PolarHBondContact O-N 3.25Å; L85-S89 PolarHBondContact O-OG 2.91Å; I86-S89 PolarHBondContact O-N 2.75Å; T87-S89 VanDerWaalsContact C-N 3.33Å |
| 90 | F | 87.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -125.1 | 127.4 | -175.6 | -55.1 | -71.1 | 0 | 0 | 0 | 110.8 | F43 I46 Y50 I86 V94 L95 F98 | F43-F90 AromaticContact CE2-CE2 3.85Å; F43-F90 HydrophobicContact CE2-CE2 3.85Å; F43-F90 HydrophobicContact CZ-CE2 4.45Å; I46-F90 HydrophobicContact CG2-CE2 3.88Å; I46-F90 HydrophobicContact CG2-CZ 4.26Å; Y50-F90 AromaticContact CD1-CE1 3.84Å; Y50-F90 HydrophobicContact CD1-CE1 3.84Å; Y50-F90 HydrophobicContact CE1-CE1 4.28Å; Y50-F90 HydrophobicContact CG-CE1 4.12Å; I86-F90 HydrophobicContact CG2-CD2 4.31Å; I86-F90 WeakPolarHBondContact O-CD2 3.45Å; I86-F90 PolarHBondContact O-N 3.44Å; F90-V94 HydrophobicContact CB-CG1 4.37Å; F90-V94 HydrophobicContact CD1-CG1 4.04Å; F90-L95 HydrophobicContact CB-CD2 3.76Å; F90-L95 HydrophobicContact CB-CG 4.09Å; F90-L95 HydrophobicContact CG-CD2 4.32Å; F90-F98 HydrophobicContact CD1-CE2 4.46Å; F90-F98 HydrophobicContact CD1-CZ 4.05Å; F90-F98 HydrophobicContact CE1-CZ 4.03Å; F90-F98 HydrophobicContact CG-CZ 4.42Å; F90-F98 HydrophobicContact CZ-CZ 4.38Å |
| 91 | T | 84.4 | Confident | 86.3 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | trans | -72.1 | 155.7 | 173.7 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | L93 V94 L95 | T91-L93 PolarHBondContact O-N 3.31Å; T91-V94 WeakPolarHBondContact O-CB 3.39Å; T91-V94 PolarHBondContact O-N 3.47Å; T91-V94 VanDerWaalsContact OG1-CG2 3.32Å; T91-V94 WeakPolarHBondContact OG1-CG2 3.44Å; T91-V94 PolarHBondContact OG1-N 3.47Å; T91-L95 PolarHBondContact O-N 3.28Å; T91-L95 VanDerWaalsContact O-N 3.08Å | ||
| 92 | P | 76.6 | Confident | 86.1 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.4 | -37.1 | 177.5 | -26.8 | 34 | 0 | 0 | 0 | 113.7 | V94 L95 N96 D140 | P92-V94 VanDerWaalsContact C-N 3.33Å; P92-V94 PolarHBondContact O-N 2.78Å; P92-L95 PolarHBondContact O-N 2.98Å; P92-N96 PolarHBondContact O-N 3.01Å; P92-N96 PolarHBondContact O-ND2 2.76Å; P92-D140 WeakPolarHBondContact CB-O 3.43Å |
| 93 | L | 76.9 | Confident | 85.8 | Confident | 148 Ų | 148 | 53.1 Ų | 53.1 | 78% | 0.775 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.4 | -40.4 | 174.8 | -103.8 | 125.7 | 0 | 0 | 0 | 112.5 | T91 N96 | T91-L93 PolarHBondContact O-N 3.31Å; L93-N96 PolarHBondContact O-N 3.33Å |
| 94 | V | 80.1 | Confident | 85.5 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 22% | 0.218 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 179.3 | 168 | 0 | 0 | 0 | 0 | 110.4 | Y50 F90 T91 P92 N96 S97 F98 | Y50-V94 HydrophobicContact CE2-CG1 3.82Å; F90-V94 HydrophobicContact CB-CG1 4.37Å; F90-V94 HydrophobicContact CD1-CG1 4.04Å; T91-V94 WeakPolarHBondContact O-CB 3.39Å; T91-V94 PolarHBondContact O-N 3.47Å; T91-V94 VanDerWaalsContact OG1-CG2 3.32Å; T91-V94 WeakPolarHBondContact OG1-CG2 3.44Å; T91-V94 PolarHBondContact OG1-N 3.47Å; P92-V94 VanDerWaalsContact C-N 3.33Å; P92-V94 PolarHBondContact O-N 2.78Å; V94-N96 PolarHBondContact O-N 3.07Å; V94-S97 WeakPolarHBondContact O-CB 3.13Å; V94-S97 PolarHBondContact O-N 3.43Å; V94-S97 PolarHBondContact O-OG 3.2Å; V94-F98 HydrophobicContact CG1-CE2 3.71Å; V94-F98 WeakPolarHBondContact O-CD2 2.78Å |
| 95 | L | 78.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.8 | -30.9 | 177.6 | -67.3 | 177.1 | 0 | 0 | 0 | 113.6 | I86 F90 T91 P92 S97 F98 S103 I106 L110 | I86-L95 HydrophobicContact CG2-CD2 4.24Å; F90-L95 HydrophobicContact CB-CD2 3.76Å; F90-L95 HydrophobicContact CB-CG 4.09Å; F90-L95 HydrophobicContact CG-CD2 4.32Å; T91-L95 PolarHBondContact O-N 3.28Å; T91-L95 VanDerWaalsContact O-N 3.08Å; P92-L95 PolarHBondContact O-N 2.98Å; L95-S97 VanDerWaalsContact C-N 3.26Å; L95-S97 PolarHBondContact O-N 3.1Å; L95-F98 WeakPolarHBondContact O-CB 3.24Å; L95-F98 PolarHBondContact O-N 2.97Å; L95-S103 PolarHBondContact O-OG 3.36Å; L95-I106 HydrophobicContact CD1-CG2 4.39Å; L95-I106 HydrophobicContact CD2-CD1 3.94Å; L95-I106 HydrophobicContact CD2-CG2 3.99Å; L95-L110 HydrophobicContact CD1-CD1 4.22Å |
| 96 | N | 72.8 | Confident | 85.4 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -16.2 | 175.9 | -68.8 | -26.9 | 0 | 0 | 0 | 113.6 | P92 L93 V94 F98 | P92-N96 PolarHBondContact O-N 3.01Å; P92-N96 PolarHBondContact O-ND2 2.76Å; L93-N96 PolarHBondContact O-N 3.33Å; V94-N96 PolarHBondContact O-N 3.07Å; N96-F98 VanDerWaalsContact C-N 3.34Å |
| 97 | S | 81.7 | Confident | 85.3 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5 | 176.6 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | V94 L95 | V94-S97 WeakPolarHBondContact O-CB 3.13Å; V94-S97 PolarHBondContact O-N 3.43Å; V94-S97 PolarHBondContact O-OG 3.2Å; L95-S97 VanDerWaalsContact C-N 3.26Å; L95-S97 PolarHBondContact O-N 3.1Å |
| 98 | F | 84.7 | Confident | 85.3 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.066 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -72.2 | 152.4 | -177.5 | -82.5 | -131.7 | 0 | 0 | 0 | 110.9 | I46 Y50 F90 V94 L95 N96 E100 L102 I106 | I46-F98 HydrophobicContact CG2-CE1 3.8Å; I46-F98 HydrophobicContact CG2-CZ 4.5Å; Y50-F98 HydrophobicContact CD2-CD2 4.08Å; Y50-F98 HydrophobicContact CD2-CE1 4.28Å; Y50-F98 AromaticContact CD2-CE2 3.25Å; Y50-F98 HydrophobicContact CD2-CE2 3.25Å; Y50-F98 AromaticContact CD2-CZ 3.39Å; Y50-F98 HydrophobicContact CD2-CZ 3.39Å; Y50-F98 HydrophobicContact CE2-CD2 4.44Å; Y50-F98 AromaticContact CE2-CE2 3.65Å; Y50-F98 HydrophobicContact CE2-CE2 3.65Å; Y50-F98 HydrophobicContact CE2-CZ 4.18Å; Y50-F98 HydrophobicContact CG-CE2 4.04Å; Y50-F98 AromaticContact CG-CZ 3.7Å; Y50-F98 HydrophobicContact CG-CZ 3.7Å; F90-F98 HydrophobicContact CD1-CE2 4.46Å; F90-F98 HydrophobicContact CD1-CZ 4.05Å; F90-F98 HydrophobicContact CE1-CZ 4.03Å; F90-F98 HydrophobicContact CG-CZ 4.42Å; F90-F98 HydrophobicContact CZ-CZ 4.38Å; V94-F98 HydrophobicContact CG1-CE2 3.71Å; V94-F98 WeakPolarHBondContact O-CD2 2.78Å; L95-F98 WeakPolarHBondContact O-CB 3.24Å; L95-F98 PolarHBondContact O-N 2.97Å; N96-F98 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.3Å; F98-L102 HydrophobicContact CD1-CB 4.49Å; F98-L102 HydrophobicContact CD1-CD2 3.4Å; F98-L102 VanDerWaalsContact CD1-CD2 3.4Å; F98-L102 HydrophobicContact CD1-CG 3.78Å; F98-L102 HydrophobicContact CE1-CD2 3.84Å; F98-L102 HydrophobicContact CE1-CG 4.46Å; F98-L102 HydrophobicContact CG-CD2 4.5Å; F98-I106 HydrophobicContact CD1-CD1 3.65Å; F98-I106 HydrophobicContact CE1-CD1 3.82Å; F98-I106 HydrophobicContact CG-CD1 4.47Å |
| 99 | P | 85.8 | Confident | 85.4 | Confident | 45 Ų | 45 | 52.6 Ų | 52.6 | 29% | 0.292 | 29% | 0.292 | S | S | . | . | trans | -52.3 | 139.6 | 169.5 | -25 | 33.8 | 0 | 0 | 0 | 111.6 | I60 A101 L102 S103 | I60-P99 HydrophobicContact CD1-CB 3.75Å; I60-P99 HydrophobicContact CD1-CG 3.77Å; I60-P99 HydrophobicContact CG2-CB 4.22Å; P99-A101 PolarHBondContact O-N 3.48Å; P99-L102 WeakPolarHBondContact O-CA 3.38Å; P99-L102 WeakPolarHBondContact O-CB 3.47Å; P99-L102 PolarHBondContact O-N 2.97Å; P99-S103 PolarHBondContact O-N 3.28Å | ||
| 100 | E | 85.9 | Confident | 85.6 | Confident | 144 Ų | 144 | 49.5 Ų | 49.5 | 67% | 0.673 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -48 | -51.5 | -169.5 | -176 | 175.9 | -174.2 | 0 | 0 | 113.6 | F98 L102 S103 I104 | F98-E100 PolarHBondContact O-N 3.3Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 2.68Å; E100-S103 PolarHBondContact O-N 3.18Å; E100-I104 HydrophobicContact CG-CD1 3.99Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.34Å; E100-I104 PolarHBondContact O-N 3.28Å |
| 101 | A | 87.1 | Confident | 85.8 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -33.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I60 C64 P99 F105 | I60-A101 HydrophobicContact CG2-CB 4.16Å; C64-A101 PolarHBondContact SG-O 2.87Å; P99-A101 PolarHBondContact O-N 3.48Å; A101-F105 PolarHBondContact O-N 3.32Å; A101-F105 VanDerWaalsContact O-N 3.16Å |
| 102 | L | 89.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.2 | -38.7 | 176.9 | -172.3 | 59.5 | 0 | 0 | 0 | 111.3 | I46 M49 I60 F98 P99 E100 F105 I106 | I46-L102 HydrophobicContact CG1-CD1 4.19Å; M49-L102 HydrophobicContact CB-CD2 3.9Å; M49-L102 HydrophobicContact CE-CB 4.43Å; M49-L102 HydrophobicContact CE-CD1 4.25Å; M49-L102 HydrophobicContact CE-CD2 3.81Å; M49-L102 HydrophobicContact CE-CG 4.4Å; M49-L102 HydrophobicContact SD-CD1 4.16Å; M49-L102 HydrophobicContact SD-CD2 4.09Å; I60-L102 HydrophobicContact CG2-CB 4.33Å; F98-L102 HydrophobicContact CD1-CB 4.49Å; F98-L102 HydrophobicContact CD1-CD2 3.4Å; F98-L102 VanDerWaalsContact CD1-CD2 3.4Å; F98-L102 HydrophobicContact CD1-CG 3.78Å; F98-L102 HydrophobicContact CE1-CD2 3.84Å; F98-L102 HydrophobicContact CE1-CG 4.46Å; F98-L102 HydrophobicContact CG-CD2 4.5Å; P99-L102 WeakPolarHBondContact O-CA 3.38Å; P99-L102 WeakPolarHBondContact O-CB 3.47Å; P99-L102 PolarHBondContact O-N 2.97Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 2.68Å; L102-F105 HydrophobicContact CD1-CD1 4.35Å; L102-F105 PolarHBondContact O-N 3.28Å; L102-I106 HydrophobicContact CG-CD1 4.18Å; L102-I106 WeakPolarHBondContact O-CG1 3.5Å; L102-I106 PolarHBondContact O-N 2.81Å |
| 103 | S | 88.3 | Confident | 87 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 174.1 | -168 | 0 | 0 | 0 | 0 | 111.5 | L95 P99 E100 F105 I106 K107 | L95-S103 PolarHBondContact O-OG 3.36Å; P99-S103 PolarHBondContact O-N 3.28Å; E100-S103 PolarHBondContact O-N 3.18Å; S103-F105 VanDerWaalsContact C-N 3.35Å; S103-F105 PolarHBondContact O-N 3.43Å; S103-I106 PolarHBondContact O-N 3.42Å; S103-K107 WeakPolarHBondContact O-CB 3.42Å; S103-K107 WeakPolarHBondContact O-CG 3.26Å; S103-K107 PolarHBondContact O-N 3.38Å |
| 104 | I | 87.7 | Confident | 87.8 | Confident | 107 Ų | 107 | 41.4 Ų | 41.4 | 55% | 0.549 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -46 | 174.3 | -68.5 | 166.6 | 0 | 0 | 0 | 110.8 | E100 K107 K108 | E100-I104 HydrophobicContact CG-CD1 3.99Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.34Å; E100-I104 PolarHBondContact O-N 3.28Å; I104-K107 PolarHBondContact O-N 2.99Å; I104-K108 PolarHBondContact O-N 2.94Å |
| 105 | F | 91.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.4 | 175.3 | -104.1 | 0 | 0 | 0 | 112.4 | I42 I46 L67 N68 E71 A101 L102 S103 K108 I109 | I42-F105 HydrophobicContact CD1-CZ 4.45Å; I42-F105 HydrophobicContact CG2-CE1 3.52Å; I42-F105 HydrophobicContact CG2-CZ 3.71Å; I46-F105 HydrophobicContact CD1-CE1 4.29Å; L67-F105 HydrophobicContact CB-CD1 4.42Å; L67-F105 HydrophobicContact CB-CD2 4.4Å; L67-F105 HydrophobicContact CB-CE1 3.8Å; L67-F105 HydrophobicContact CB-CE2 3.8Å; L67-F105 HydrophobicContact CB-CZ 3.46Å; L67-F105 VanDerWaalsContact CB-CZ 3.46Å; L67-F105 HydrophobicContact CD1-CD1 4.26Å; L67-F105 HydrophobicContact CD1-CE1 3.91Å; L67-F105 HydrophobicContact CD1-CZ 4.43Å; L67-F105 HydrophobicContact CG-CE1 4.49Å; N68-F105 WeakPolarHBondContact OD1-CD2 3.5Å; E71-F105 HydrophobicContact CB-CE2 3.94Å; E71-F105 HydrophobicContact CB-CZ 4.15Å; E71-F105 HydrophobicContact CG-CE2 4.41Å; A101-F105 PolarHBondContact O-N 3.32Å; A101-F105 VanDerWaalsContact O-N 3.16Å; L102-F105 HydrophobicContact CD1-CD1 4.35Å; L102-F105 PolarHBondContact O-N 3.28Å; S103-F105 VanDerWaalsContact C-N 3.35Å; S103-F105 PolarHBondContact O-N 3.43Å; F105-K108 WeakPolarHBondContact O-CB 3.36Å; F105-K108 PolarHBondContact O-N 3.18Å; F105-I109 HydrophobicContact CD1-CD1 4.15Å; F105-I109 HydrophobicContact CE1-CD1 3.48Å; F105-I109 VanDerWaalsContact CE1-CD1 3.48Å; F105-I109 HydrophobicContact CE2-CD1 4.37Å; F105-I109 HydrophobicContact CZ-CD1 3.61Å; F105-I109 HydrophobicContact CZ-CG1 4.33Å; F105-I109 PolarHBondContact O-N 3.2Å |
| 106 | I | 91.8 | Very high | 89 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 177.5 | -67.1 | 167.6 | 0 | 0 | 0 | 110.4 | I46 I86 L95 F98 L102 S103 K108 I109 L110 | I46-I106 HydrophobicContact CD1-CG1 4.07Å; I46-I106 HydrophobicContact CG2-CD1 3.94Å; I86-I106 HydrophobicContact CG2-CG2 3.89Å; L95-I106 HydrophobicContact CD1-CG2 4.39Å; L95-I106 HydrophobicContact CD2-CD1 3.94Å; L95-I106 HydrophobicContact CD2-CG2 3.99Å; F98-I106 HydrophobicContact CD1-CD1 3.65Å; F98-I106 HydrophobicContact CE1-CD1 3.82Å; F98-I106 HydrophobicContact CG-CD1 4.47Å; L102-I106 HydrophobicContact CG-CD1 4.18Å; L102-I106 WeakPolarHBondContact O-CG1 3.5Å; L102-I106 PolarHBondContact O-N 2.81Å; S103-I106 PolarHBondContact O-N 3.42Å; I106-K108 VanDerWaalsContact C-N 3.25Å; I106-K108 PolarHBondContact O-N 3.36Å; I106-I109 WeakPolarHBondContact O-CB 3.32Å; I106-I109 PolarHBondContact O-N 3.34Å; I106-L110 HydrophobicContact CG2-CD1 4.09Å; I106-L110 HydrophobicContact CG2-CG 4.27Å; I106-L110 WeakPolarHBondContact O-CG 3.49Å; I106-L110 PolarHBondContact O-N 2.92Å; I106-L110 VanDerWaalsContact O-N 3.12Å |
| 107 | K | 89.6 | Confident | 89.8 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 32% | 0.317 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.1 | -41.8 | 177.3 | -78.3 | -175.6 | 178.7 | -173.2 | 0 | 112 | S103 I104 I109 L110 E111 | S103-K107 WeakPolarHBondContact O-CB 3.42Å; S103-K107 WeakPolarHBondContact O-CG 3.26Å; S103-K107 PolarHBondContact O-N 3.38Å; I104-K107 PolarHBondContact O-N 2.99Å; K107-I109 VanDerWaalsContact C-N 3.32Å; K107-I109 PolarHBondContact O-N 3.39Å; K107-L110 PolarHBondContact O-N 3.04Å; K107-L110 VanDerWaalsContact O-N 3.15Å; K107-E111 WeakPolarHBondContact O-CB 3.36Å; K107-E111 VanDerWaalsContact O-CG 3.31Å; K107-E111 WeakPolarHBondContact O-CG 3.44Å; K107-E111 PolarHBondContact O-N 3.49Å |
| 108 | K | 90.5 | Very high | 90.2 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 34% | 0.339 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.4 | -41.7 | 176.1 | -171.5 | -170 | 179.6 | -151.5 | 0 | 112.9 | N68 E71 I104 F105 I106 R112 | N68-K108 PolarHBondContact OD1-NZ 2.84Å; E71-K108 VanDerWaalsContact OE2-CE 3.31Å; E71-K108 WeakPolarHBondContact OE2-CE 3.29Å; E71-K108 IonicContact OE2-NZ 2.63Å; E71-K108 PolarHBondContact OE2-NZ 3.25Å; I104-K108 PolarHBondContact O-N 2.94Å; F105-K108 WeakPolarHBondContact O-CB 3.36Å; F105-K108 PolarHBondContact O-N 3.18Å; I106-K108 VanDerWaalsContact C-N 3.25Å; I106-K108 PolarHBondContact O-N 3.36Å; K108-R112 WeakPolarHBondContact O-CB 3.49Å; K108-R112 PolarHBondContact O-N 3Å |
| 109 | I | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 176.4 | -66.3 | 163.7 | 0 | 0 | 0 | 110.4 | I42 E71 L82 I86 F105 I106 K107 R112 H113 | I42-I109 HydrophobicContact CG2-CD1 4.3Å; E71-I109 HydrophobicContact CG-CG1 3.9Å; L82-I109 HydrophobicContact CD2-CD1 3.67Å; L82-I109 HydrophobicContact CD2-CG1 4.26Å; L82-I109 HydrophobicContact CD2-CG2 4.13Å; L82-I109 HydrophobicContact CG-CD1 4.35Å; L82-I109 HydrophobicContact CG-CG2 4.23Å; I86-I109 HydrophobicContact CD1-CD1 3.98Å; I86-I109 HydrophobicContact CD1-CG2 4.26Å; F105-I109 HydrophobicContact CD1-CD1 4.15Å; F105-I109 HydrophobicContact CE1-CD1 3.48Å; F105-I109 VanDerWaalsContact CE1-CD1 3.48Å; F105-I109 HydrophobicContact CE2-CD1 4.37Å; F105-I109 HydrophobicContact CZ-CD1 3.61Å; F105-I109 HydrophobicContact CZ-CG1 4.33Å; F105-I109 PolarHBondContact O-N 3.2Å; I106-I109 WeakPolarHBondContact O-CB 3.32Å; I106-I109 PolarHBondContact O-N 3.34Å; K107-I109 VanDerWaalsContact C-N 3.32Å; K107-I109 PolarHBondContact O-N 3.39Å; I109-R112 PolarHBondContact O-N 3.19Å; I109-H113 PolarHBondContact O-N 3.5Å |
| 110 | L | 93.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -37.5 | -179.5 | -55 | -179.6 | 0 | 0 | 0 | 111.6 | S83 T87 L95 I106 K107 H113 S114 F137 H141 L143 | S83-L110 VanDerWaalsContact OG-CD2 3.27Å; S83-L110 WeakPolarHBondContact OG-CD2 3.44Å; T87-L110 HydrophobicContact CG2-CD2 3.78Å; L95-L110 HydrophobicContact CD1-CD1 4.22Å; I106-L110 HydrophobicContact CG2-CD1 4.09Å; I106-L110 HydrophobicContact CG2-CG 4.27Å; I106-L110 WeakPolarHBondContact O-CG 3.49Å; I106-L110 PolarHBondContact O-N 2.92Å; I106-L110 VanDerWaalsContact O-N 3.12Å; K107-L110 PolarHBondContact O-N 3.04Å; K107-L110 VanDerWaalsContact O-N 3.15Å; L110-H113 PolarHBondContact O-N 3.32Å; L110-S114 PolarHBondContact O-N 3.29Å; L110-S114 PolarHBondContact O-OG 2.97Å; L110-F137 HydrophobicContact CB-CE1 4.26Å; L110-F137 HydrophobicContact CB-CZ 4.27Å; L110-F137 HydrophobicContact CD2-CZ 3.98Å; L110-H141 HydrophobicContact CD1-CB 4.17Å; L110-L143 HydrophobicContact CB-CD1 3.81Å; L110-L143 HydrophobicContact CB-CD2 3.88Å; L110-L143 HydrophobicContact CD1-CD2 4.39Å |
| 111 | E | 92.1 | Very high | 90.7 | Very high | 55 Ų | 55 | 33 Ų | 33 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 173.6 | -75.9 | 178.8 | 160.3 | 0 | 0 | 111.4 | K107 H113 S114 V115 L143 N147 | K107-E111 WeakPolarHBondContact O-CB 3.36Å; K107-E111 VanDerWaalsContact O-CG 3.31Å; K107-E111 WeakPolarHBondContact O-CG 3.44Å; K107-E111 PolarHBondContact O-N 3.49Å; E111-H113 VanDerWaalsContact C-N 3.35Å; E111-H113 PolarHBondContact O-N 3.35Å; E111-S114 WeakPolarHBondContact O-CB 3.44Å; E111-S114 PolarHBondContact O-N 3.14Å; E111-S114 VanDerWaalsContact O-N 3.14Å; E111-V115 WeakPolarHBondContact O-CG2 3.41Å; E111-V115 PolarHBondContact O-N 3.3Å; E111-L143 HydrophobicContact CG-CB 4.31Å; E111-L143 HydrophobicContact CG-CD2 4.31Å; E111-N147 PolarHBondContact OE1-ND2 2.9Å |
| 112 | R | 92.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 33.4 Ų | 33.4 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.7 | -171.7 | 177.5 | 172.6 | 179.5 | -5.8 | 111.5 | E71 L74 D76 T79 K108 I109 S114 V115 I116 | E71-R112 PolarHBondContact O-NH1 3.34Å; E71-R112 VanDerWaalsContact OE1-CD 3.23Å; E71-R112 WeakPolarHBondContact OE1-CD 3.12Å; E71-R112 IonicContact OE1-CZ 3.61Å; E71-R112 IonicContact OE1-NE 3.41Å; E71-R112 IonicContact OE1-NH1 3.74Å; E71-R112 PolarHBondContact OE1-NH1 3.15Å; L74-R112 PolarHBondContact O-NH2 2.84Å; D76-R112 IonicContact OD1-NH2 2.72Å; T79-R112 HydrophobicContact CG2-CB 4.07Å; T79-R112 HydrophobicContact CG2-CG 3.94Å; K108-R112 WeakPolarHBondContact O-CB 3.49Å; K108-R112 PolarHBondContact O-N 3Å; I109-R112 PolarHBondContact O-N 3.19Å; R112-S114 VanDerWaalsContact C-N 3.29Å; R112-S114 PolarHBondContact O-N 3.16Å; R112-V115 PolarHBondContact O-N 3.35Å; R112-I116 HydrophobicContact CG-CD1 4.35Å; R112-I116 WeakPolarHBondContact O-CG1 3.41Å; R112-I116 PolarHBondContact O-N 3.5Å; R112-I116 VanDerWaalsContact O-N 3.08Å |
| 113 | H | 93.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | 173.1 | -177 | -162.1 | 0 | 0 | 0 | 112.2 | S83 I109 L110 E111 V115 I116 F117 F137 | S83-H113 WeakPolarHBondContact CB-ND1 3.24Å; S83-H113 PolarHBondContact OG-ND1 3.46Å; I109-H113 PolarHBondContact O-N 3.5Å; L110-H113 PolarHBondContact O-N 3.32Å; E111-H113 VanDerWaalsContact C-N 3.35Å; E111-H113 PolarHBondContact O-N 3.35Å; H113-V115 PolarHBondContact O-N 3Å; H113-I116 WeakPolarHBondContact O-CB 3.38Å; H113-I116 PolarHBondContact O-N 2.75Å; H113-F117 AromaticContact CD2-CD2 3.84Å; H113-F117 AromaticContact CD2-CE2 3.77Å; H113-F117 AromaticContact CE1-CE2 3.41Å; H113-F117 VanDerWaalsContact CE1-CE2 3.41Å; H113-F117 WeakPolarHBondContact CE1-CE2 2.97Å; H113-F117 AromaticContact CE1-CZ 3.96Å; H113-F117 AromaticContact NE2-CD2 3.68Å; H113-F117 AromaticContact NE2-CE2 3.11Å; H113-F117 WeakPolarHBondContact NE2-CE2 3.44Å; H113-F117 AromaticContact NE2-CZ 3.46Å; H113-F117 WeakPolarHBondContact NE2-CZ 3.31Å; H113-F117 PolarHBondContact O-N 3.16Å; H113-F137 AromaticContact ND1-CE1 3.95Å; H113-F137 AromaticContact ND1-CE2 3.88Å; H113-F137 AromaticContact ND1-CZ 3.48Å; H113-F137 WeakPolarHBondContact ND1-CZ 3.24Å |
| 114 | S | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | L110 E111 R112 I116 F117 L118 F137 I138 L143 | L110-S114 PolarHBondContact O-N 3.29Å; L110-S114 PolarHBondContact O-OG 2.97Å; E111-S114 WeakPolarHBondContact O-CB 3.44Å; E111-S114 PolarHBondContact O-N 3.14Å; E111-S114 VanDerWaalsContact O-N 3.14Å; R112-S114 VanDerWaalsContact C-N 3.29Å; R112-S114 PolarHBondContact O-N 3.16Å; S114-I116 VanDerWaalsContact C-N 3.34Å; S114-F117 PolarHBondContact O-N 3.35Å; S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 3.31Å; S114-F137 WeakPolarHBondContact OG-CD1 3.45Å; S114-F137 WeakPolarHBondContact OG-CE1 3.48Å; S114-I138 WeakPolarHBondContact OG-CG1 3.37Å; S114-L143 WeakPolarHBondContact OG-CD1 3.44Å |
| 115 | V | 92.7 | Very high | 89.7 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | E111 R112 H113 L118 Q119 L150 L153 | E111-V115 WeakPolarHBondContact O-CG2 3.41Å; E111-V115 PolarHBondContact O-N 3.3Å; R112-V115 PolarHBondContact O-N 3.35Å; H113-V115 PolarHBondContact O-N 3Å; V115-L118 PolarHBondContact O-N 3.48Å; V115-Q119 HydrophobicContact CG1-CG 4.3Å; V115-Q119 WeakPolarHBondContact O-CB 3.44Å; V115-Q119 VanDerWaalsContact O-CG 3.31Å; V115-Q119 WeakPolarHBondContact O-CG 3.25Å; V115-Q119 PolarHBondContact O-N 2.91Å; V115-L150 HydrophobicContact CG2-CD1 4.45Å; V115-L153 HydrophobicContact CB-CD2 4.37Å; V115-L153 HydrophobicContact CG1-CD2 4.05Å; V115-L153 HydrophobicContact CG2-CD2 4.39Å |
| 116 | I | 91 | Very high | 88.7 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 177.3 | -63.8 | 159.9 | 0 | 0 | 0 | 110.4 | D76 T79 I80 R112 H113 S114 L118 Q119 S120 | D76-I116 HydrophobicContact CB-CD1 3.68Å; D76-I116 HydrophobicContact CB-CG1 4.16Å; D76-I116 HydrophobicContact CB-CG2 4.41Å; T79-I116 HydrophobicContact CG2-CD1 4.21Å; I80-I116 HydrophobicContact CD1-CG2 4.01Å; I80-I116 HydrophobicContact CG1-CG2 4.44Å; R112-I116 HydrophobicContact CG-CD1 4.35Å; R112-I116 WeakPolarHBondContact O-CG1 3.41Å; R112-I116 PolarHBondContact O-N 3.5Å; R112-I116 VanDerWaalsContact O-N 3.08Å; H113-I116 WeakPolarHBondContact O-CB 3.38Å; H113-I116 PolarHBondContact O-N 2.75Å; S114-I116 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 2.89Å; I116-Q119 PolarHBondContact O-N 2.91Å; I116-S120 PolarHBondContact O-N 2.97Å; I116-S120 PolarHBondContact O-OG 3.46Å |
| 117 | F | 89.3 | Confident | 88.3 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 24% | 0.237 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 176.7 | -91.4 | -45.8 | 0 | 0 | 0 | 113.5 | H113 S114 Q119 S120 S121 T130 | H113-F117 AromaticContact CD2-CD2 3.84Å; H113-F117 AromaticContact CD2-CE2 3.77Å; H113-F117 AromaticContact CE1-CE2 3.41Å; H113-F117 VanDerWaalsContact CE1-CE2 3.41Å; H113-F117 WeakPolarHBondContact CE1-CE2 2.97Å; H113-F117 AromaticContact CE1-CZ 3.96Å; H113-F117 AromaticContact NE2-CD2 3.68Å; H113-F117 AromaticContact NE2-CE2 3.11Å; H113-F117 WeakPolarHBondContact NE2-CE2 3.44Å; H113-F117 AromaticContact NE2-CZ 3.46Å; H113-F117 WeakPolarHBondContact NE2-CZ 3.31Å; H113-F117 PolarHBondContact O-N 3.16Å; S114-F117 PolarHBondContact O-N 3.35Å; F117-Q119 VanDerWaalsContact C-N 3.31Å; F117-S120 PolarHBondContact O-OG 2.68Å; F117-S121 WeakPolarHBondContact O-CB 3.5Å; F117-S121 PolarHBondContact O-N 3.15Å; F117-S121 VanDerWaalsContact O-N 3.1Å; F117-S121 PolarHBondContact O-OG 2.64Å; F117-T130 HydrophobicContact CD1-CG2 4.42Å |
| 118 | L | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.8 | -25.8 | -179.6 | -68.9 | 174.6 | 0 | 0 | 0 | 112 | S114 V115 I116 L122 L131 I138 L150 L153 I154 N157 | S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 3.31Å; V115-L118 PolarHBondContact O-N 3.48Å; I116-L118 PolarHBondContact O-N 2.89Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3.42Å; L118-L131 HydrophobicContact CD2-CD1 3.55Å; L118-I138 HydrophobicContact CD1-CD1 3.78Å; L118-I138 HydrophobicContact CG-CD1 4.23Å; L118-L150 HydrophobicContact CD1-CD1 3.54Å; L118-L150 HydrophobicContact CD1-CG 4.49Å; L118-L153 HydrophobicContact CB-CD2 3.46Å; L118-L153 VanDerWaalsContact CB-CD2 3.46Å; L118-L153 HydrophobicContact CB-CG 3.66Å; L118-L153 HydrophobicContact CD1-CB 4.11Å; L118-L153 HydrophobicContact CD1-CD2 3.86Å; L118-L153 HydrophobicContact CD1-CG 3.96Å; L118-L153 HydrophobicContact CG-CD2 4.33Å; L118-L153 HydrophobicContact CG-CG 4.48Å; L118-I154 HydrophobicContact CD1-CG1 3.72Å; L118-I154 HydrophobicContact CD2-CG1 4.29Å; L118-N157 PolarHBondContact O-ND2 3.24Å; L118-N157 PolarHBondContact O-OD1 2.84Å |
| 119 | Q | 91.3 | Very high | 88.1 | Confident | 98 Ų | 98 | 38.9 Ų | 38.9 | 46% | 0.458 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -73.7 | -44.1 | 172.6 | -76.9 | 176.8 | -13.1 | 0 | 0 | 111.7 | V115 I116 F117 S121 L122 L153 | V115-Q119 HydrophobicContact CG1-CG 4.3Å; V115-Q119 WeakPolarHBondContact O-CB 3.44Å; V115-Q119 VanDerWaalsContact O-CG 3.31Å; V115-Q119 WeakPolarHBondContact O-CG 3.25Å; V115-Q119 PolarHBondContact O-N 2.91Å; I116-Q119 PolarHBondContact O-N 2.91Å; F117-Q119 VanDerWaalsContact C-N 3.31Å; Q119-S121 PolarHBondContact O-N 2.98Å; Q119-L122 WeakPolarHBondContact O-CB 3.43Å; Q119-L122 PolarHBondContact O-N 3.15Å; Q119-L153 HydrophobicContact CG-CD2 4.44Å |
| 120 | S | 88.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.1 | -34.9 | 175.5 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | I116 F117 L122 E123 | I116-S120 PolarHBondContact O-N 2.97Å; I116-S120 PolarHBondContact O-OG 3.46Å; F117-S120 PolarHBondContact O-OG 2.68Å; S120-L122 VanDerWaalsContact C-N 3.27Å; S120-L122 PolarHBondContact O-N 2.89Å; S120-E123 PolarHBondContact O-N 2.61Å |
| 121 | S | 87 | Confident | 87.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -29.7 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | F117 Q119 E123 N124 T130 L131 N157 | F117-S121 WeakPolarHBondContact O-CB 3.5Å; F117-S121 PolarHBondContact O-N 3.15Å; F117-S121 VanDerWaalsContact O-N 3.1Å; F117-S121 PolarHBondContact O-OG 2.64Å; Q119-S121 PolarHBondContact O-N 2.98Å; S121-E123 VanDerWaalsContact C-N 3.3Å; S121-E123 PolarHBondContact O-N 2.75Å; S121-N124 CarbonylContact O-C 3.37Å; S121-N124 PolarHBondContact O-N 2.84Å; S121-T130 WeakPolarHBondContact OG-CG2 3.41Å; S121-L131 PolarHBondContact OG-N 2.78Å; S121-N157 WeakPolarHBondContact CB-OD1 3.42Å |
| 122 | L | 87 | Confident | 87.7 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 18% | 0.183 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.5 | -24 | 177.9 | -75.1 | 164.4 | 0 | 0 | 0 | 113.4 | L118 Q119 S120 N124 L153 H156 N157 K160 | L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3.42Å; Q119-L122 WeakPolarHBondContact O-CB 3.43Å; Q119-L122 PolarHBondContact O-N 3.15Å; S120-L122 VanDerWaalsContact C-N 3.27Å; S120-L122 PolarHBondContact O-N 2.89Å; L122-N124 VanDerWaalsContact C-N 3.31Å; L122-L153 HydrophobicContact CD1-CD1 3.8Å; L122-H156 VanDerWaalsContact CD2-ND1 3.29Å; L122-H156 WeakPolarHBondContact CD2-ND1 3.21Å; L122-N157 WeakPolarHBondContact CG-ND2 3.21Å; L122-N157 WeakPolarHBondContact CG-OD1 3.25Å; L122-K160 HydrophobicContact CD2-CD 3.73Å |
| 123 | E | 85.6 | Confident | 87.6 | Confident | 175 Ų | 175 | 38 Ų | 38 | 82% | 0.818 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -71.4 | -30 | 178.6 | -61.3 | -174.7 | 165.9 | 0 | 0 | 111.6 | S120 S121 | S120-E123 PolarHBondContact O-N 2.61Å; S121-E123 VanDerWaalsContact C-N 3.3Å; S121-E123 PolarHBondContact O-N 2.75Å |
| 124 | N | 82.6 | Confident | 87.6 | Confident | 101 Ų | 101 | 37.8 Ų | 37.8 | 54% | 0.54 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -134.5 | 76.6 | 178.1 | -163.8 | -5.7 | 0 | 0 | 0 | 111.5 | S121 L122 G126 C127 | S121-N124 CarbonylContact O-C 3.37Å; S121-N124 PolarHBondContact O-N 2.84Å; L122-N124 VanDerWaalsContact C-N 3.31Å; N124-G126 PolarHBondContact O-N 3.14Å; N124-C127 HydrophobicContact CB-CB 4.29Å; N124-C127 WeakPolarHBondContact O-CB 3.22Å; N124-C127 PolarHBondContact O-N 3.16Å |
| 125 | P | 75.6 | Confident | 87.6 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.8 | -171.4 | 23.7 | -33.8 | 0 | 0 | 0 | 115 | K160 S161 | P125-K160 HydrophobicContact CB-CB 4.36Å; P125-S161 WeakPolarHBondContact O-CB 3.3Å; P125-S161 PolarHBondContact O-OG 2.96Å |
| 126 | G | 71.9 | Confident | 87.6 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -13.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N124 L128 | N124-G126 PolarHBondContact O-N 3.14Å; G126-L128 PolarHBondContact O-N 3.19Å |
| 127 | C | 82.4 | Confident | 87.7 | Confident | 29 Ų | 29 | 39.6 Ų | 39.6 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | trans | -90.2 | 89.2 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | N124 V129 T130 D170 | N124-C127 HydrophobicContact CB-CB 4.29Å; N124-C127 WeakPolarHBondContact O-CB 3.22Å; N124-C127 PolarHBondContact O-N 3.16Å; C127-V129 VanDerWaalsContact C-N 3.3Å; C127-V129 PolarHBondContact O-N 2.97Å; C127-T130 PolarHBondContact SG-OG1 2.92Å; C127-D170 WeakPolarHBondContact CA-OD2 3.47Å; C127-D170 PolarHBondContact SG-OD2 3.42Å | ||
| 128 | L | 87.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.6 | -22.5 | 180 | -66.9 | -175.5 | 0 | 0 | 0 | 111.8 | G126 T130 L131 S132 Y169 D170 I171 Y176 F179 F219 | G126-L128 PolarHBondContact O-N 3.19Å; L128-T130 VanDerWaalsContact C-N 3.26Å; L128-T130 PolarHBondContact O-N 2.88Å; L128-L131 HydrophobicContact CD2-CD2 4.36Å; L128-L131 PolarHBondContact O-N 2.95Å; L128-L131 VanDerWaalsContact O-N 3.17Å; L128-S132 VanDerWaalsContact O-CB 3.32Å; L128-S132 WeakPolarHBondContact O-CB 3.45Å; L128-S132 PolarHBondContact O-N 2.83Å; L128-Y169 HydrophobicContact CD1-CD1 3.41Å; L128-Y169 VanDerWaalsContact CD1-CD1 3.41Å; L128-Y169 HydrophobicContact CD1-CD2 3.68Å; L128-Y169 HydrophobicContact CD1-CE1 3.81Å; L128-Y169 HydrophobicContact CD1-CE2 4.07Å; L128-Y169 HydrophobicContact CD1-CG 3.33Å; L128-Y169 HydrophobicContact CD2-CD1 4.32Å; L128-Y169 HydrophobicContact CD2-CE1 4.3Å; L128-Y169 HydrophobicContact CG-CD1 3.5Å; L128-Y169 HydrophobicContact CG-CE1 3.96Å; L128-Y169 HydrophobicContact CG-CG 3.9Å; L128-D170 PolarHBondContact N-OD1 2.76Å; L128-I171 VanDerWaalsContact C-CD1 3.45Å; L128-I171 HydrophobicContact CB-CD1 3.23Å; L128-I171 HydrophobicContact CB-CG1 3.72Å; L128-I171 HydrophobicContact CD1-CD1 4.38Å; L128-I171 HydrophobicContact CG-CD1 4.45Å; L128-Y176 HydrophobicContact CD1-CD2 4.34Å; L128-Y176 HydrophobicContact CD1-CE2 4Å; L128-F179 HydrophobicContact CD1-CD1 4.36Å; L128-F179 HydrophobicContact CD1-CE1 3.98Å; L128-F179 HydrophobicContact CD2-CE1 4.25Å; L128-F179 HydrophobicContact CD2-CZ 4.03Å; L128-F219 HydrophobicContact CD1-CE1 4.35Å; L128-F219 HydrophobicContact CD2-CE1 4.43Å |
| 129 | V | 89.1 | Confident | 87.9 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.2 | -44.3 | -177.7 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | C127 S132 S133 D170 I171 | C127-V129 VanDerWaalsContact C-N 3.3Å; C127-V129 PolarHBondContact O-N 2.97Å; V129-S132 PolarHBondContact O-N 3.29Å; V129-S133 WeakPolarHBondContact O-CB 3.29Å; V129-S133 PolarHBondContact O-N 2.71Å; V129-S133 PolarHBondContact O-OG 3.09Å; V129-D170 WeakPolarHBondContact CB-OD2 3.29Å; V129-D170 HydrophobicContact CG2-CB 4.35Å; V129-D170 VanDerWaalsContact CG2-OD2 3.27Å; V129-D170 WeakPolarHBondContact CG2-OD2 3.01Å; V129-D170 PolarHBondContact N-OD1 3.06Å; V129-D170 PolarHBondContact N-OD2 3.37Å; V129-I171 HydrophobicContact CB-CG1 4.43Å; V129-I171 HydrophobicContact CG2-CG1 3.64Å |
| 130 | T | 87 | Confident | 87.8 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 26% | 0.258 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.3 | -44.9 | -180 | -48.4 | 0 | 0 | 0 | 0 | 111 | F117 S121 C127 L128 S133 G134 | F117-T130 HydrophobicContact CD1-CG2 4.42Å; S121-T130 WeakPolarHBondContact OG-CG2 3.41Å; C127-T130 PolarHBondContact SG-OG1 2.92Å; L128-T130 VanDerWaalsContact C-N 3.26Å; L128-T130 PolarHBondContact O-N 2.88Å; T130-S133 PolarHBondContact O-N 2.9Å; T130-G134 PolarHBondContact O-N 3.4Å |
| 131 | L | 91.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.8 | -179 | 58.9 | 0 | 0 | 0 | 111.6 | L118 S121 L128 G134 L135 N157 L158 F179 | L118-L131 HydrophobicContact CD2-CD1 3.55Å; S121-L131 PolarHBondContact OG-N 2.78Å; L128-L131 HydrophobicContact CD2-CD2 4.36Å; L128-L131 PolarHBondContact O-N 2.95Å; L128-L131 VanDerWaalsContact O-N 3.17Å; L131-G134 PolarHBondContact O-N 3.44Å; L131-L135 HydrophobicContact CD1-CG 4.33Å; L131-L135 HydrophobicContact CG-CD1 4.38Å; L131-L135 WeakPolarHBondContact O-CG 3.23Å; L131-L135 PolarHBondContact O-N 3.06Å; L131-N157 HydrophobicContact CD1-CB 3.76Å; L131-N157 HydrophobicContact CD2-CB 4.26Å; L131-L158 HydrophobicContact CD2-CD2 4.16Å; L131-F179 HydrophobicContact CD2-CE2 3.98Å; L131-F179 HydrophobicContact CD2-CZ 4Å; L131-F179 HydrophobicContact CG-CE2 3.99Å |
| 132 | S | 92.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 178 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | L128 V129 G134 L135 Q136 | L128-S132 VanDerWaalsContact O-CB 3.32Å; L128-S132 WeakPolarHBondContact O-CB 3.45Å; L128-S132 PolarHBondContact O-N 2.83Å; V129-S132 PolarHBondContact O-N 3.29Å; S132-G134 VanDerWaalsContact C-N 3.35Å; S132-G134 PolarHBondContact O-N 3.23Å; S132-L135 PolarHBondContact O-N 2.81Å; S132-Q136 WeakPolarHBondContact O-CB 3.33Å; S132-Q136 PolarHBondContact O-N 2.89Å |
| 133 | S | 90.4 | Very high | 88.1 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63 | -41.7 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | V129 T130 Q136 F137 | V129-S133 WeakPolarHBondContact O-CB 3.29Å; V129-S133 PolarHBondContact O-N 2.71Å; V129-S133 PolarHBondContact O-OG 3.09Å; T130-S133 PolarHBondContact O-N 2.9Å; S133-Q136 PolarHBondContact O-N 2.8Å; S133-F137 WeakPolarHBondContact O-CB 3.47Å; S133-F137 PolarHBondContact O-N 3.15Å |
| 134 | G | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T130 L131 S132 F137 I138 | T130-G134 PolarHBondContact O-N 3.4Å; L131-G134 PolarHBondContact O-N 3.44Å; S132-G134 VanDerWaalsContact C-N 3.35Å; S132-G134 PolarHBondContact O-N 3.23Å; G134-F137 PolarHBondContact O-N 3.07Å; G134-I138 WeakPolarHBondContact O-CD1 3.38Å; G134-I138 WeakPolarHBondContact O-CG1 3.25Å; G134-I138 PolarHBondContact O-N 3Å |
| 135 | L | 94.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 176 | -72 | 179.4 | 0 | 0 | 0 | 112 | L131 S132 F137 I138 L139 I154 F179 N182 I183 V186 | L131-L135 HydrophobicContact CD1-CG 4.33Å; L131-L135 HydrophobicContact CG-CD1 4.38Å; L131-L135 WeakPolarHBondContact O-CG 3.23Å; L131-L135 PolarHBondContact O-N 3.06Å; S132-L135 PolarHBondContact O-N 2.81Å; L135-F137 VanDerWaalsContact C-N 3.34Å; L135-F137 PolarHBondContact O-N 2.77Å; L135-I138 PolarHBondContact O-N 2.94Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 3.37Å; L135-I154 HydrophobicContact CD2-CB 4.46Å; L135-I154 HydrophobicContact CD2-CD1 3.93Å; L135-I154 HydrophobicContact CD2-CG1 3.83Å; L135-I154 HydrophobicContact CD2-CG2 3.83Å; L135-F179 HydrophobicContact CD1-CD2 4.09Å; L135-F179 HydrophobicContact CD1-CE2 3.72Å; L135-N182 HydrophobicContact CB-CB 4.33Å; L135-I183 HydrophobicContact CD1-CG1 3.96Å; L135-V186 HydrophobicContact CD2-CG2 4.1Å |
| 136 | Q | 92.9 | Very high | 88.2 | Confident | 64 Ų | 64 | 36 Ų | 36 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 176.6 | -173.2 | 65.7 | 56.3 | 0 | 0 | 110.9 | S132 S133 I138 L139 D140 N182 | S132-Q136 WeakPolarHBondContact O-CB 3.33Å; S132-Q136 PolarHBondContact O-N 2.89Å; S133-Q136 PolarHBondContact O-N 2.8Å; Q136-I138 VanDerWaalsContact C-N 3.32Å; Q136-I138 PolarHBondContact O-N 2.96Å; Q136-L139 PolarHBondContact O-N 3.06Å; Q136-D140 PolarHBondContact NE2-OD1 3.28Å; Q136-D140 PolarHBondContact NE2-OD2 3.18Å; Q136-D140 VanDerWaalsContact O-CG 3.28Å; Q136-D140 PolarHBondContact O-N 2.88Å; Q136-N182 PolarHBondContact OE1-ND2 3.23Å; Q136-N182 PolarHBondContact OE1-OD1 3.47Å |
| 137 | F | 92.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 36.4 Ų | 36.4 | 11% | 0.114 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -44.3 | 178.1 | -179.1 | -91.3 | 0 | 0 | 0 | 112.3 | S83 T87 L110 H113 S114 S133 G134 L135 L139 H141 L143 | S83-F137 WeakPolarHBondContact OG-CZ 3.47Å; T87-F137 HydrophobicContact CG2-CE2 3.99Å; T87-F137 HydrophobicContact CG2-CZ 4.36Å; L110-F137 HydrophobicContact CB-CE1 4.26Å; L110-F137 HydrophobicContact CB-CZ 4.27Å; L110-F137 HydrophobicContact CD2-CZ 3.98Å; H113-F137 AromaticContact ND1-CE1 3.95Å; H113-F137 AromaticContact ND1-CE2 3.88Å; H113-F137 AromaticContact ND1-CZ 3.48Å; H113-F137 WeakPolarHBondContact ND1-CZ 3.24Å; S114-F137 WeakPolarHBondContact OG-CD1 3.45Å; S114-F137 WeakPolarHBondContact OG-CE1 3.48Å; S133-F137 WeakPolarHBondContact O-CB 3.47Å; S133-F137 PolarHBondContact O-N 3.15Å; G134-F137 PolarHBondContact O-N 3.07Å; L135-F137 VanDerWaalsContact C-N 3.34Å; L135-F137 PolarHBondContact O-N 2.77Å; F137-L139 VanDerWaalsContact C-N 3.33Å; F137-L139 PolarHBondContact O-N 3.36Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CE2-CD2 3.64Å; F137-H141 AromaticContact CE2-NE2 3.72Å; F137-H141 AromaticContact CZ-CD2 3.84Å; F137-H141 PolarHBondContact O-CD2 2.91Å; F137-H141 VanDerWaalsContact O-CD2 3.26Å; F137-H141 PolarHBondContact O-N 2.66Å; F137-L143 HydrophobicContact CD1-CD1 4.25Å; F137-L143 HydrophobicContact CE1-CD1 3.93Å |
| 138 | I | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.3 | -72.4 | 165.7 | 0 | 0 | 0 | 111.6 | S114 L118 G134 L135 Q136 N142 L143 L144 L150 I154 | S114-I138 WeakPolarHBondContact OG-CG1 3.37Å; L118-I138 HydrophobicContact CD1-CD1 3.78Å; L118-I138 HydrophobicContact CG-CD1 4.23Å; G134-I138 WeakPolarHBondContact O-CD1 3.38Å; G134-I138 WeakPolarHBondContact O-CG1 3.25Å; G134-I138 PolarHBondContact O-N 3Å; L135-I138 PolarHBondContact O-N 2.94Å; Q136-I138 VanDerWaalsContact C-N 3.32Å; Q136-I138 PolarHBondContact O-N 2.96Å; I138-N142 PolarHBondContact O-N 3.25Å; I138-L143 HydrophobicContact CG2-CB 4.4Å; I138-L143 PolarHBondContact O-N 3.42Å; I138-L143 VanDerWaalsContact O-N 3.12Å; I138-L144 HydrophobicContact CG2-CD1 4.03Å; I138-L144 HydrophobicContact CG2-CD2 3.72Å; I138-L144 HydrophobicContact CG2-CG 3.51Å; I138-L150 HydrophobicContact CD1-CD1 3.93Å; I138-L150 HydrophobicContact CD1-CD2 4.08Å; I138-L150 HydrophobicContact CD1-CG 4.15Å; I138-L150 HydrophobicContact CG1-CD2 4.08Å; I138-L150 HydrophobicContact CG2-CD2 3.79Å; I138-I154 HydrophobicContact CD1-CD1 4.18Å; I138-I154 HydrophobicContact CD1-CG1 4.46Å |
| 139 | L | 91.7 | Very high | 89.1 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.3 | -46.6 | -179.1 | -69.3 | 169.2 | 0 | 0 | 0 | 111.8 | L135 Q136 F137 H141 N142 L144 N182 Q185 V186 | L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 3.37Å; Q136-L139 PolarHBondContact O-N 3.06Å; F137-L139 VanDerWaalsContact C-N 3.33Å; F137-L139 PolarHBondContact O-N 3.36Å; L139-H141 PolarHBondContact O-N 2.96Å; L139-H141 VanDerWaalsContact O-N 3.14Å; L139-N142 PolarHBondContact O-N 2.72Å; L139-N142 VanDerWaalsContact O-N 3.1Å; L139-L144 HydrophobicContact CD2-CD1 4.03Å; L139-N182 HydrophobicContact CD1-CB 3.7Å; L139-Q185 HydrophobicContact CD1-CB 4.03Å; L139-Q185 HydrophobicContact CD1-CG 4.37Å; L139-Q185 HydrophobicContact CD2-CB 4.12Å; L139-Q185 HydrophobicContact CD2-CG 3.91Å; L139-V186 HydrophobicContact CD2-CG2 4.19Å |
| 140 | D | 89.8 | Confident | 89.3 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.2 | -30.1 | -178.8 | -71.1 | -15.1 | 0 | 0 | 0 | 112.5 | P92 Q136 | P92-D140 WeakPolarHBondContact CB-O 3.43Å; Q136-D140 PolarHBondContact NE2-OD1 3.28Å; Q136-D140 PolarHBondContact NE2-OD2 3.18Å; Q136-D140 VanDerWaalsContact O-CG 3.28Å; Q136-D140 PolarHBondContact O-N 2.88Å |
| 141 | H | 88.4 | Confident | 89.6 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 11% | 0.111 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 5.6 | -178.7 | -66.4 | -63 | 0 | 0 | 0 | 114.6 | T87 L110 F137 L139 L143 | T87-H141 VanDerWaalsContact CG2-CE1 3.47Å; T87-H141 WeakPolarHBondContact CG2-CE1 3.46Å; T87-H141 VanDerWaalsContact CG2-NE2 3.31Å; T87-H141 WeakPolarHBondContact CG2-NE2 3.46Å; L110-H141 HydrophobicContact CD1-CB 4.17Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CE2-CD2 3.64Å; F137-H141 AromaticContact CE2-NE2 3.72Å; F137-H141 AromaticContact CZ-CD2 3.84Å; F137-H141 PolarHBondContact O-CD2 2.91Å; F137-H141 VanDerWaalsContact O-CD2 3.26Å; F137-H141 PolarHBondContact O-N 2.66Å; L139-H141 PolarHBondContact O-N 2.96Å; L139-H141 VanDerWaalsContact O-N 3.14Å; H141-L143 VanDerWaalsContact C-N 3.29Å; H141-L143 HydrophobicContact CB-CD1 4.06Å; H141-L143 HydrophobicContact CB-CD2 3.88Å; H141-L143 HydrophobicContact CB-CG 3.72Å; H141-L143 PolarHBondContact O-N 3.08Å |
| 142 | N | 88.2 | Confident | 89.7 | Confident | 100 Ų | 100 | 45 Ų | 45 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 42.8 | 179.9 | -66.5 | -60 | 0 | 0 | 0 | 113.9 | I138 L139 L144 | I138-N142 PolarHBondContact O-N 3.25Å; L139-N142 PolarHBondContact O-N 2.72Å; L139-N142 VanDerWaalsContact O-N 3.1Å; N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 3.42Å |
| 143 | L | 90.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4.5 | -173.1 | -55.9 | 178.7 | 0 | 0 | 0 | 114.1 | L110 E111 S114 F137 I138 H141 L150 | L110-L143 HydrophobicContact CB-CD1 3.81Å; L110-L143 HydrophobicContact CB-CD2 3.88Å; L110-L143 HydrophobicContact CD1-CD2 4.39Å; E111-L143 HydrophobicContact CG-CB 4.31Å; E111-L143 HydrophobicContact CG-CD2 4.31Å; S114-L143 WeakPolarHBondContact OG-CD1 3.44Å; F137-L143 HydrophobicContact CD1-CD1 4.25Å; F137-L143 HydrophobicContact CE1-CD1 3.93Å; I138-L143 HydrophobicContact CG2-CB 4.4Å; I138-L143 PolarHBondContact O-N 3.42Å; I138-L143 VanDerWaalsContact O-N 3.12Å; H141-L143 VanDerWaalsContact C-N 3.29Å; H141-L143 HydrophobicContact CB-CD1 4.06Å; H141-L143 HydrophobicContact CB-CD2 3.88Å; H141-L143 HydrophobicContact CB-CG 3.72Å; H141-L143 PolarHBondContact O-N 3.08Å; L143-L150 HydrophobicContact CB-CD2 4.17Å |
| 144 | L | 89.8 | Confident | 89.9 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -16.8 | -177.8 | -70 | 170.4 | 0 | 0 | 0 | 113.9 | I138 L139 N142 D146 N147 L150 Y151 I154 V186 T189 Q193 | I138-L144 HydrophobicContact CG2-CD1 4.03Å; I138-L144 HydrophobicContact CG2-CD2 3.72Å; I138-L144 HydrophobicContact CG2-CG 3.51Å; L139-L144 HydrophobicContact CD2-CD1 4.03Å; N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 3.42Å; L144-D146 PolarHBondContact O-N 3.47Å; L144-D146 VanDerWaalsContact O-N 3.13Å; L144-N147 PolarHBondContact O-N 3.36Å; L144-N147 VanDerWaalsContact O-N 3.12Å; L144-L150 HydrophobicContact CD2-CB 4.47Å; L144-L150 HydrophobicContact CD2-CD2 3.92Å; L144-L150 HydrophobicContact CD2-CG 4.13Å; L144-Y151 HydrophobicContact CB-CE1 4.4Å; L144-Y151 HydrophobicContact CB-CE2 4.11Å; L144-Y151 WeakPolarHBondContact CB-OH 3.49Å; L144-Y151 HydrophobicContact CD1-CE1 4.16Å; L144-Y151 HydrophobicContact CD2-CD1 4.09Å; L144-Y151 HydrophobicContact CD2-CD2 4.47Å; L144-Y151 HydrophobicContact CD2-CE1 3.82Å; L144-Y151 HydrophobicContact CD2-CE2 4.24Å; L144-Y151 HydrophobicContact CD2-CG 4.41Å; L144-Y151 HydrophobicContact CG-CE1 4.36Å; L144-Y151 VanDerWaalsContact O-CE2 3.31Å; L144-Y151 WeakPolarHBondContact O-CE2 3.4Å; L144-I154 HydrophobicContact CD2-CD1 3.68Å; L144-V186 HydrophobicContact CD1-CB 4.34Å; L144-V186 HydrophobicContact CD1-CG1 4.13Å; L144-V186 HydrophobicContact CD1-CG2 4.09Å; L144-T189 HydrophobicContact CB-CG2 3.85Å; L144-T189 HydrophobicContact CD1-CG2 4.05Å; L144-Q193 PolarHBondContact O-NE2 3.43Å |
| 145 | N | 83.2 | Confident | 90 | Very high | 99 Ų | 99 | 46 Ų | 46 | 53% | 0.529 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 117.2 | -171.8 | -157.4 | 37.2 | 0 | 0 | 0 | 110.8 | N147 | N145-N147 PolarHBondContact O-N 3.15Å; N145-N147 VanDerWaalsContact O-N 3.17Å |
| 146 | D | 74.2 | Confident | 90 | Very high | 131 Ų | 131 | 50 Ų | 50 | 70% | 0.701 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 15.4 | -174.8 | -60.6 | -46.1 | 0 | 0 | 0 | 116.1 | L144 K148 | L144-D146 PolarHBondContact O-N 3.47Å; L144-D146 VanDerWaalsContact O-N 3.13Å; D146-K148 PolarHBondContact O-N 3.08Å |
| 147 | N | 85.9 | Confident | 90 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | trans | -101.5 | 79 | -178 | -163.1 | -33.8 | 0 | 0 | 0 | 112.9 | E111 L144 N145 Q149 L150 Y151 | E111-N147 PolarHBondContact OE1-ND2 2.9Å; L144-N147 PolarHBondContact O-N 3.36Å; L144-N147 VanDerWaalsContact O-N 3.12Å; N145-N147 PolarHBondContact O-N 3.15Å; N145-N147 VanDerWaalsContact O-N 3.17Å; N147-Q149 VanDerWaalsContact C-N 3.27Å; N147-Q149 PolarHBondContact O-N 3.37Å; N147-Q149 PolarHBondContact OD1-N 3.28Å; N147-L150 HydrophobicContact CB-CB 4.24Å; N147-L150 PolarHBondContact O-N 2.89Å; N147-L150 PolarHBondContact OD1-N 3.21Å; N147-L150 VanDerWaalsContact OD1-N 3.1Å; N147-Y151 VanDerWaalsContact O-CD2 3.32Å; N147-Y151 WeakPolarHBondContact O-CD2 3.43Å; N147-Y151 PolarHBondContact O-N 3.33Å | ||
| 148 | K | 85.7 | Confident | 90.1 | Very high | 101 Ų | 101 | 45.8 Ų | 45.8 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -34.6 | -179.7 | -66.9 | -161.1 | 177.1 | -153.7 | 0 | 113.5 | D146 L150 Y151 F152 D205 | D146-K148 PolarHBondContact O-N 3.08Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.49Å; K148-Y151 PolarHBondContact O-N 3.24Å; K148-F152 HydrophobicContact CB-CE2 4.11Å; K148-F152 WeakPolarHBondContact O-CD2 3.27Å; K148-F152 WeakPolarHBondContact O-CE2 3.46Å; K148-F152 PolarHBondContact O-N 2.8Å; K148-F152 VanDerWaalsContact O-N 3.13Å; K148-D205 IonicContact NZ-OD1 2.76Å; K148-D205 PolarHBondContact NZ-OD1 2.97Å; K148-D205 IonicContact NZ-OD2 3.3Å; K148-D205 PolarHBondContact NZ-OD2 3.42Å; K148-D205 VanDerWaalsContact NZ-OD2 3.15Å |
| 149 | Q | 89.6 | Confident | 89.9 | Confident | 132 Ų | 132 | 48 Ų | 48 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62 | -41.8 | -180 | -176.9 | 178.5 | -8.2 | 0 | 0 | 111.5 | N147 F152 L153 | N147-Q149 VanDerWaalsContact C-N 3.27Å; N147-Q149 PolarHBondContact O-N 3.37Å; N147-Q149 PolarHBondContact OD1-N 3.28Å; Q149-F152 WeakPolarHBondContact O-CB 3.42Å; Q149-F152 PolarHBondContact O-N 3.4Å; Q149-L153 PolarHBondContact O-N 2.92Å; Q149-L153 VanDerWaalsContact O-N 3.08Å |
| 150 | L | 92.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 179.9 | -165.3 | 60.9 | 0 | 0 | 0 | 111.4 | V115 L118 I138 L143 L144 N147 K148 F152 L153 I154 | V115-L150 HydrophobicContact CG2-CD1 4.45Å; L118-L150 HydrophobicContact CD1-CD1 3.54Å; L118-L150 HydrophobicContact CD1-CG 4.49Å; I138-L150 HydrophobicContact CD1-CD1 3.93Å; I138-L150 HydrophobicContact CD1-CD2 4.08Å; I138-L150 HydrophobicContact CD1-CG 4.15Å; I138-L150 HydrophobicContact CG1-CD2 4.08Å; I138-L150 HydrophobicContact CG2-CD2 3.79Å; L143-L150 HydrophobicContact CB-CD2 4.17Å; L144-L150 HydrophobicContact CD2-CB 4.47Å; L144-L150 HydrophobicContact CD2-CD2 3.92Å; L144-L150 HydrophobicContact CD2-CG 4.13Å; N147-L150 HydrophobicContact CB-CB 4.24Å; N147-L150 PolarHBondContact O-N 2.89Å; N147-L150 PolarHBondContact OD1-N 3.21Å; N147-L150 VanDerWaalsContact OD1-N 3.1Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.49Å; L150-F152 VanDerWaalsContact C-N 3.31Å; L150-F152 PolarHBondContact O-N 3.12Å; L150-L153 PolarHBondContact O-N 2.61Å; L150-I154 HydrophobicContact CG-CD1 4.26Å; L150-I154 VanDerWaalsContact O-CG1 3.29Å; L150-I154 WeakPolarHBondContact O-CG1 3.22Å; L150-I154 PolarHBondContact O-N 3.41Å |
| 151 | Y | 93.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 173.4 | -75.9 | -70.8 | 0 | 0 | 0 | 113.2 | L144 N147 K148 L153 I154 Q155 V186 T189 L190 Q193 L208 I212 | L144-Y151 HydrophobicContact CB-CE1 4.4Å; L144-Y151 HydrophobicContact CB-CE2 4.11Å; L144-Y151 WeakPolarHBondContact CB-OH 3.49Å; L144-Y151 HydrophobicContact CD1-CE1 4.16Å; L144-Y151 HydrophobicContact CD2-CD1 4.09Å; L144-Y151 HydrophobicContact CD2-CD2 4.47Å; L144-Y151 HydrophobicContact CD2-CE1 3.82Å; L144-Y151 HydrophobicContact CD2-CE2 4.24Å; L144-Y151 HydrophobicContact CD2-CG 4.41Å; L144-Y151 HydrophobicContact CG-CE1 4.36Å; L144-Y151 VanDerWaalsContact O-CE2 3.31Å; L144-Y151 WeakPolarHBondContact O-CE2 3.4Å; N147-Y151 VanDerWaalsContact O-CD2 3.32Å; N147-Y151 WeakPolarHBondContact O-CD2 3.43Å; N147-Y151 PolarHBondContact O-N 3.33Å; K148-Y151 PolarHBondContact O-N 3.24Å; Y151-L153 VanDerWaalsContact C-N 3.35Å; Y151-I154 PolarHBondContact O-N 2.97Å; Y151-Q155 VanDerWaalsContact O-CB 3.27Å; Y151-Q155 WeakPolarHBondContact O-CB 3.43Å; Y151-Q155 PolarHBondContact O-N 3.04Å; Y151-V186 HydrophobicContact CD1-CG1 3.89Å; Y151-V186 HydrophobicContact CE1-CG1 3.71Å; Y151-T189 PolarHBondContact OH-O 3.22Å; Y151-L190 HydrophobicContact CD1-CB 4.23Å; Y151-L190 HydrophobicContact CD1-CD1 4.16Å; Y151-L190 HydrophobicContact CD1-CD2 4.31Å; Y151-L190 HydrophobicContact CD1-CG 4.47Å; Y151-L190 HydrophobicContact CD2-CD1 4.06Å; Y151-L190 HydrophobicContact CE1-CB 3.53Å; Y151-L190 HydrophobicContact CE1-CD1 3.98Å; Y151-L190 HydrophobicContact CE1-CD2 4.42Å; Y151-L190 HydrophobicContact CE1-CG 4.17Å; Y151-L190 HydrophobicContact CE2-CD1 3.86Å; Y151-L190 HydrophobicContact CG-CD1 4.19Å; Y151-L190 WeakPolarHBondContact OH-CA 3.28Å; Y151-L190 PolarHBondContact OH-N 2.83Å; Y151-Q193 PolarHBondContact OH-NE2 3.17Å; Y151-L208 HydrophobicContact CG-CD2 4.42Å; Y151-I212 HydrophobicContact CD1-CD1 4.25Å |
| 152 | F | 92.1 | Very high | 89.6 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.3 | -73.4 | -51.8 | 0 | 0 | 0 | 113 | K148 Q149 L150 I154 Q155 H156 F204 L208 | K148-F152 HydrophobicContact CB-CE2 4.11Å; K148-F152 WeakPolarHBondContact O-CD2 3.27Å; K148-F152 WeakPolarHBondContact O-CE2 3.46Å; K148-F152 PolarHBondContact O-N 2.8Å; K148-F152 VanDerWaalsContact O-N 3.13Å; Q149-F152 WeakPolarHBondContact O-CB 3.42Å; Q149-F152 PolarHBondContact O-N 3.4Å; L150-F152 VanDerWaalsContact C-N 3.31Å; L150-F152 PolarHBondContact O-N 3.12Å; F152-I154 VanDerWaalsContact C-N 3.32Å; F152-Q155 PolarHBondContact O-N 2.95Å; F152-H156 WeakPolarHBondContact O-CB 3.46Å; F152-H156 PolarHBondContact O-N 3.29Å; F152-F204 HydrophobicContact CD1-CE1 4.31Å; F152-F204 HydrophobicContact CD1-CZ 4.18Å; F152-F204 HydrophobicContact CE1-CD1 4.23Å; F152-F204 AromaticContact CE1-CE1 3Å; F152-F204 HydrophobicContact CE1-CE1 3Å; F152-F204 HydrophobicContact CE1-CE2 4.47Å; F152-F204 AromaticContact CE1-CZ 3.13Å; F152-F204 HydrophobicContact CE1-CZ 3.13Å; F152-F204 HydrophobicContact CE2-CE1 4.31Å; F152-F204 AromaticContact CZ-CD1 3.88Å; F152-F204 HydrophobicContact CZ-CD1 3.88Å; F152-F204 AromaticContact CZ-CE1 2.99Å; F152-F204 HydrophobicContact CZ-CE1 2.99Å; F152-F204 AromaticContact CZ-CZ 3.39Å; F152-F204 HydrophobicContact CZ-CZ 3.39Å; F152-L208 HydrophobicContact CD1-CD1 4.45Å; F152-L208 HydrophobicContact CE1-CD1 4.33Å; F152-L208 HydrophobicContact CE1-CD2 4.29Å |
| 153 | L | 93 | Very high | 89.4 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -39.2 | -178.5 | -166.9 | 61.8 | 0 | 0 | 0 | 110.9 | V115 L118 Q119 L122 Q149 L150 Y151 N157 | V115-L153 HydrophobicContact CB-CD2 4.37Å; V115-L153 HydrophobicContact CG1-CD2 4.05Å; V115-L153 HydrophobicContact CG2-CD2 4.39Å; L118-L153 HydrophobicContact CB-CD2 3.46Å; L118-L153 VanDerWaalsContact CB-CD2 3.46Å; L118-L153 HydrophobicContact CB-CG 3.66Å; L118-L153 HydrophobicContact CD1-CB 4.11Å; L118-L153 HydrophobicContact CD1-CD2 3.86Å; L118-L153 HydrophobicContact CD1-CG 3.96Å; L118-L153 HydrophobicContact CG-CD2 4.33Å; L118-L153 HydrophobicContact CG-CG 4.48Å; Q119-L153 HydrophobicContact CG-CD2 4.44Å; L122-L153 HydrophobicContact CD1-CD1 3.8Å; Q149-L153 PolarHBondContact O-N 2.92Å; Q149-L153 VanDerWaalsContact O-N 3.08Å; L150-L153 PolarHBondContact O-N 2.61Å; Y151-L153 VanDerWaalsContact C-N 3.35Å; L153-N157 WeakPolarHBondContact O-CB 3.14Å; L153-N157 PolarHBondContact O-N 2.9Å; L153-N157 PolarHBondContact O-ND2 3.4Å |
| 154 | I | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -52.3 | 171.5 | -67.9 | 167.4 | 0 | 0 | 0 | 110.3 | L118 L135 I138 L144 L150 Y151 F152 H156 N157 L158 V186 | L118-I154 HydrophobicContact CD1-CG1 3.72Å; L118-I154 HydrophobicContact CD2-CG1 4.29Å; L135-I154 HydrophobicContact CD2-CB 4.46Å; L135-I154 HydrophobicContact CD2-CD1 3.93Å; L135-I154 HydrophobicContact CD2-CG1 3.83Å; L135-I154 HydrophobicContact CD2-CG2 3.83Å; I138-I154 HydrophobicContact CD1-CD1 4.18Å; I138-I154 HydrophobicContact CD1-CG1 4.46Å; L144-I154 HydrophobicContact CD2-CD1 3.68Å; L150-I154 HydrophobicContact CG-CD1 4.26Å; L150-I154 VanDerWaalsContact O-CG1 3.29Å; L150-I154 WeakPolarHBondContact O-CG1 3.22Å; L150-I154 PolarHBondContact O-N 3.41Å; Y151-I154 PolarHBondContact O-N 2.97Å; F152-I154 VanDerWaalsContact C-N 3.32Å; I154-H156 VanDerWaalsContact C-N 3.31Å; I154-H156 PolarHBondContact O-N 3.5Å; I154-N157 WeakPolarHBondContact O-CB 3.38Å; I154-N157 PolarHBondContact O-N 2.78Å; I154-N157 VanDerWaalsContact O-N 3.16Å; I154-L158 HydrophobicContact CG2-CD1 3.61Å; I154-L158 HydrophobicContact CG2-CG 4.11Å; I154-L158 VanDerWaalsContact O-CG 3.29Å; I154-L158 WeakPolarHBondContact O-CG 3.49Å; I154-L158 PolarHBondContact O-N 3.28Å; I154-V186 HydrophobicContact CD1-CG1 4.17Å; I154-V186 HydrophobicContact CD1-CG2 4.4Å; I154-V186 HydrophobicContact CG2-CG1 4.28Å |
| 155 | Q | 94.6 | Very high | 87.2 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | -179.3 | 178.9 | -105.3 | -19.5 | 0 | 0 | 111.8 | Y151 F152 L158 V159 L208 S211 I212 | Y151-Q155 VanDerWaalsContact O-CB 3.27Å; Y151-Q155 WeakPolarHBondContact O-CB 3.43Å; Y151-Q155 PolarHBondContact O-N 3.04Å; F152-Q155 PolarHBondContact O-N 2.95Å; Q155-L158 PolarHBondContact O-N 3.22Å; Q155-V159 VanDerWaalsContact O-CG2 3.28Å; Q155-V159 WeakPolarHBondContact O-CG2 3.2Å; Q155-V159 PolarHBondContact O-N 3.45Å; Q155-L208 HydrophobicContact CB-CD1 3.68Å; Q155-L208 HydrophobicContact CG-CD1 3.84Å; Q155-S211 VanDerWaalsContact CG-OG 3.28Å; Q155-S211 WeakPolarHBondContact CG-OG 3.34Å; Q155-S211 PolarHBondContact NE2-OG 2.8Å; Q155-I212 HydrophobicContact CB-CG1 4.45Å |
| 156 | H | 93.5 | Very high | 85.9 | Confident | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 177.7 | -177.8 | -115.9 | 0 | 0 | 0 | 112.8 | L122 F152 I154 K160 | L122-H156 VanDerWaalsContact CD2-ND1 3.29Å; L122-H156 WeakPolarHBondContact CD2-ND1 3.21Å; F152-H156 WeakPolarHBondContact O-CB 3.46Å; F152-H156 PolarHBondContact O-N 3.29Å; I154-H156 VanDerWaalsContact C-N 3.31Å; I154-H156 PolarHBondContact O-N 3.5Å; H156-K160 VanDerWaalsContact CE1-CE 3.41Å; H156-K160 WeakPolarHBondContact CE1-CE 3.45Å; H156-K160 WeakPolarHBondContact NE2-CE 3.36Å; H156-K160 PolarHBondContact O-N 3Å; H156-K160 VanDerWaalsContact O-N 3.08Å |
| 157 | N | 93.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 173.8 | -91.3 | -83.5 | 0 | 0 | 0 | 111.6 | L118 S121 L122 L131 L153 I154 V159 K160 S161 | L118-N157 PolarHBondContact O-ND2 3.24Å; L118-N157 PolarHBondContact O-OD1 2.84Å; S121-N157 WeakPolarHBondContact CB-OD1 3.42Å; L122-N157 WeakPolarHBondContact CG-ND2 3.21Å; L122-N157 WeakPolarHBondContact CG-OD1 3.25Å; L131-N157 HydrophobicContact CD1-CB 3.76Å; L131-N157 HydrophobicContact CD2-CB 4.26Å; L153-N157 WeakPolarHBondContact O-CB 3.14Å; L153-N157 PolarHBondContact O-N 2.9Å; L153-N157 PolarHBondContact O-ND2 3.4Å; I154-N157 WeakPolarHBondContact O-CB 3.38Å; I154-N157 PolarHBondContact O-N 2.78Å; I154-N157 VanDerWaalsContact O-N 3.16Å; N157-V159 VanDerWaalsContact C-N 3.34Å; N157-V159 PolarHBondContact O-N 3.01Å; N157-K160 PolarHBondContact O-N 3.45Å; N157-S161 WeakPolarHBondContact O-CB 3.2Å; N157-S161 PolarHBondContact O-N 3.44Å; N157-S161 PolarHBondContact O-OG 3Å |
| 158 | L | 93.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | -178.5 | -67.6 | 172.9 | 0 | 0 | 0 | 112.1 | L131 I154 Q155 S161 S162 F179 I183 S215 F219 | L131-L158 HydrophobicContact CD2-CD2 4.16Å; I154-L158 HydrophobicContact CG2-CD1 3.61Å; I154-L158 HydrophobicContact CG2-CG 4.11Å; I154-L158 VanDerWaalsContact O-CG 3.29Å; I154-L158 WeakPolarHBondContact O-CG 3.49Å; I154-L158 PolarHBondContact O-N 3.28Å; Q155-L158 PolarHBondContact O-N 3.22Å; L158-S161 PolarHBondContact O-N 3.47Å; L158-S162 VanDerWaalsContact O-CB 3.31Å; L158-S162 WeakPolarHBondContact O-CB 3.4Å; L158-S162 PolarHBondContact O-N 2.94Å; L158-S162 PolarHBondContact O-OG 3.36Å; L158-F179 HydrophobicContact CD2-CE2 4.45Å; L158-F179 HydrophobicContact CD2-CZ 4.09Å; L158-I183 HydrophobicContact CD1-CG1 4.42Å; L158-I183 HydrophobicContact CD1-CG2 3.7Å; L158-I183 HydrophobicContact CD2-CD1 3.57Å; L158-I183 HydrophobicContact CD2-CG1 3.68Å; L158-I183 HydrophobicContact CD2-CG2 4.36Å; L158-S215 WeakPolarHBondContact CB-OG 3.43Å; L158-F219 HydrophobicContact CD2-CE2 4.13Å |
| 159 | V | 91 | Very high | 83.3 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | Q155 N157 S161 S162 L163 | Q155-V159 VanDerWaalsContact O-CG2 3.28Å; Q155-V159 WeakPolarHBondContact O-CG2 3.2Å; Q155-V159 PolarHBondContact O-N 3.45Å; N157-V159 VanDerWaalsContact C-N 3.34Å; N157-V159 PolarHBondContact O-N 3.01Å; V159-S161 PolarHBondContact O-N 2.84Å; V159-S162 PolarHBondContact O-N 3.4Å; V159-S162 PolarHBondContact O-OG 3.01Å; V159-L163 HydrophobicContact CG1-CD1 4.27Å; V159-L163 WeakPolarHBondContact O-CG 3.49Å; V159-L163 PolarHBondContact O-N 3.48Å |
| 160 | K | 89 | Confident | 82.8 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 178.5 | -83.2 | -168.4 | 175.4 | -177.8 | 0 | 112.8 | L122 P125 H156 N157 S162 L163 | L122-K160 HydrophobicContact CD2-CD 3.73Å; P125-K160 HydrophobicContact CB-CB 4.36Å; H156-K160 VanDerWaalsContact CE1-CE 3.41Å; H156-K160 WeakPolarHBondContact CE1-CE 3.45Å; H156-K160 WeakPolarHBondContact NE2-CE 3.36Å; H156-K160 PolarHBondContact O-N 3Å; H156-K160 VanDerWaalsContact O-N 3.08Å; N157-K160 PolarHBondContact O-N 3.45Å; K160-S162 VanDerWaalsContact C-N 3.32Å; K160-S162 PolarHBondContact O-N 3.33Å; K160-L163 PolarHBondContact O-N 3.38Å |
| 161 | S | 88.5 | Confident | 82.2 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 178.2 | -68 | 0 | 0 | 0 | 0 | 112.4 | P125 N157 L158 V159 L163 H164 Y169 | P125-S161 WeakPolarHBondContact O-CB 3.3Å; P125-S161 PolarHBondContact O-OG 2.96Å; N157-S161 WeakPolarHBondContact O-CB 3.2Å; N157-S161 PolarHBondContact O-N 3.44Å; N157-S161 PolarHBondContact O-OG 3Å; L158-S161 PolarHBondContact O-N 3.47Å; V159-S161 PolarHBondContact O-N 2.84Å; S161-L163 VanDerWaalsContact C-N 3.31Å; S161-L163 PolarHBondContact O-N 2.71Å; S161-H164 PolarHBondContact O-N 3.26Å; S161-Y169 PolarHBondContact O-OH 3.19Å |
| 162 | S | 86.1 | Confident | 81.7 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 16% | 0.161 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.1 | -26.2 | 176.7 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | L158 V159 K160 H164 | L158-S162 VanDerWaalsContact O-CB 3.31Å; L158-S162 WeakPolarHBondContact O-CB 3.4Å; L158-S162 PolarHBondContact O-N 2.94Å; L158-S162 PolarHBondContact O-OG 3.36Å; V159-S162 PolarHBondContact O-N 3.4Å; V159-S162 PolarHBondContact O-OG 3.01Å; K160-S162 VanDerWaalsContact C-N 3.32Å; K160-S162 PolarHBondContact O-N 3.33Å; S162-H164 VanDerWaalsContact C-N 3.29Å |
| 163 | L | 82.5 | Confident | 81 | Confident | 130 Ų | 130 | 62.4 Ų | 62.4 | 68% | 0.681 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -77.1 | -18.4 | 175.8 | -71.4 | 167.5 | 0 | 0 | 0 | 112.4 | V159 K160 S161 K165 | V159-L163 HydrophobicContact CG1-CD1 4.27Å; V159-L163 WeakPolarHBondContact O-CG 3.49Å; V159-L163 PolarHBondContact O-N 3.48Å; K160-L163 PolarHBondContact O-N 3.38Å; S161-L163 VanDerWaalsContact C-N 3.31Å; S161-L163 PolarHBondContact O-N 2.71Å; L163-K165 PolarHBondContact O-N 2.74Å |
| 164 | H | 75.7 | Confident | 80.5 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | trans | -81.1 | 84.2 | -178.3 | -131.7 | -77.5 | 0 | 0 | 0 | 110.1 | S161 S162 S166 | S161-H164 PolarHBondContact O-N 3.26Å; S162-H164 VanDerWaalsContact C-N 3.29Å; H164-S166 VanDerWaalsContact C-N 3.25Å; H164-S166 PolarHBondContact O-N 3.18Å | ||
| 165 | K | 59.5 | Low | 80 | Confident | 190 Ų | 190 | 71.1 Ų | 71.1 | 83% | 0.826 | 38% | 0.375 | S | S | * | . | trans | -71 | 75.6 | 175.7 | -68.1 | -174.7 | 178.1 | -175.9 | 0 | 111.3 | L163 | L163-K165 PolarHBondContact O-N 2.74Š| ||
| 166 | S | 56.1 | Low | 79.6 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 28% | 0.28 | 36% | 0.364 | S | S | . | . | trans | -107.5 | 132.2 | 169.9 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | H164 S168 | H164-S166 VanDerWaalsContact C-N 3.25Å; H164-S166 PolarHBondContact O-N 3.18Å; S166-S168 PolarHBondContact O-N 3.28Å | ||
| 167 | N | 56.1 | Low | 79.2 | Confident | 168 Ų | 168 | 69 Ų | 69 | 90% | 0.898 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -62 | -1.6 | -177.7 | -74.5 | -10.9 | 0 | 0 | 0 | 115.1 | ||
| 168 | S | 61.9 | Low | 79.1 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | trans | -158.3 | 101.5 | 176.3 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | S166 | S166-S168 PolarHBondContact O-N 3.28Š| ||
| 169 | Y | 71.8 | Confident | 79 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 4% | 0.039 | 38% | 0.384 | C | S | . | . | trans | -59.8 | 156.9 | 160 | -62.2 | -65.8 | 0 | 0 | 0 | 111.2 | L128 S161 I171 Y176 F219 E222 K224 | L128-Y169 HydrophobicContact CD1-CD1 3.41Å; L128-Y169 VanDerWaalsContact CD1-CD1 3.41Å; L128-Y169 HydrophobicContact CD1-CD2 3.68Å; L128-Y169 HydrophobicContact CD1-CE1 3.81Å; L128-Y169 HydrophobicContact CD1-CE2 4.07Å; L128-Y169 HydrophobicContact CD1-CG 3.33Å; L128-Y169 HydrophobicContact CD2-CD1 4.32Å; L128-Y169 HydrophobicContact CD2-CE1 4.3Å; L128-Y169 HydrophobicContact CG-CD1 3.5Å; L128-Y169 HydrophobicContact CG-CE1 3.96Å; L128-Y169 HydrophobicContact CG-CG 3.9Å; S161-Y169 PolarHBondContact O-OH 3.19Å; Y169-I171 PolarHBondContact O-N 3.02Å; Y169-Y176 AromaticContact CD2-CE2 3.9Å; Y169-Y176 HydrophobicContact CD2-CE2 3.9Å; Y169-Y176 HydrophobicContact CE2-CE2 4.31Å; Y169-F219 HydrophobicContact CE2-CE1 4.38Å; Y169-E222 HydrophobicContact CE2-CG 4.4Å; Y169-K224 HydrophobicContact CD2-CD 4.29Å; Y169-K224 VanDerWaalsContact N-CE 3.34Å; Y169-K224 PolarHBondContact O-NZ 3.23Å | ||
| 170 | D | 79.1 | Confident | 79 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -78.3 | 4.7 | -178.3 | 63.9 | -27 | 0 | 0 | 0 | 115.1 | C127 L128 V129 | C127-D170 WeakPolarHBondContact CA-OD2 3.47Å; C127-D170 PolarHBondContact SG-OD2 3.42Å; L128-D170 PolarHBondContact N-OD1 2.76Å; V129-D170 WeakPolarHBondContact CB-OD2 3.29Å; V129-D170 HydrophobicContact CG2-CB 4.35Å; V129-D170 VanDerWaalsContact CG2-OD2 3.27Å; V129-D170 WeakPolarHBondContact CG2-OD2 3.01Å; V129-D170 PolarHBondContact N-OD1 3.06Å; V129-D170 PolarHBondContact N-OD2 3.37Å |
| 171 | I | 81.4 | Confident | 79.2 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 4% | 0.036 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -100.7 | 141.9 | -179.5 | -58.8 | -175.4 | 0 | 0 | 0 | 111.6 | L128 V129 Y169 M175 K224 | L128-I171 VanDerWaalsContact C-CD1 3.45Å; L128-I171 HydrophobicContact CB-CD1 3.23Å; L128-I171 HydrophobicContact CB-CG1 3.72Å; L128-I171 HydrophobicContact CD1-CD1 4.38Å; L128-I171 HydrophobicContact CG-CD1 4.45Å; V129-I171 HydrophobicContact CB-CG1 4.43Å; V129-I171 HydrophobicContact CG2-CG1 3.64Å; Y169-I171 PolarHBondContact O-N 3.02Å; I171-M175 VanDerWaalsContact CG2-C 3.47Å; I171-M175 HydrophobicContact CG2-CB 3.15Å; I171-M175 HydrophobicContact CG2-CG 4.39Å; I171-K224 PolarHBondContact O-NZ 3.28Å |
| 172 | C | 82.8 | Confident | 79.4 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 47% | 0.473 | 37% | 0.374 | S | S | . | . | trans | -72.8 | 162.5 | 169.1 | 70.1 | 0 | 0 | 0 | 0 | 113.2 | D174 M175 Y176 | C172-D174 PolarHBondContact O-N 3.5Å; C172-M175 PolarHBondContact O-N 3.48Å; C172-M175 VanDerWaalsContact SG-CG 3.59Å; C172-Y176 WeakPolarHBondContact O-CB 3.21Å; C172-Y176 PolarHBondContact O-N 3.12Å | ||
| 173 | D | 77.7 | Confident | 79.9 | Confident | 111 Ų | 111 | 67.1 Ų | 67.1 | 59% | 0.594 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | -171.2 | -60.6 | -22 | 0 | 0 | 0 | 113.6 | M175 Y176 L177 | D173-M175 PolarHBondContact O-N 3.34Å; D173-Y176 WeakPolarHBondContact O-CB 3.32Å; D173-Y176 PolarHBondContact O-N 3.1Å; D173-Y176 VanDerWaalsContact O-N 3.17Å; D173-L177 PolarHBondContact O-N 2.72Å |
| 174 | D | 80.7 | Confident | 80.4 | Confident | 134 Ų | 134 | 61.2 Ų | 61.2 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 178.1 | -67.2 | -31.6 | 0 | 0 | 0 | 112.3 | C172 Y176 L177 S178 | C172-D174 PolarHBondContact O-N 3.5Å; D174-Y176 VanDerWaalsContact C-N 3.27Å; D174-Y176 PolarHBondContact O-N 3.11Å; D174-L177 PolarHBondContact O-N 3.43Å; D174-S178 PolarHBondContact O-N 3.26Å; D174-S178 VanDerWaalsContact O-N 3.11Å |
| 175 | M | 84.4 | Confident | 81.2 | Confident | 78 Ų | 78 | 61 Ų | 61 | 38% | 0.384 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.8 | -26.2 | 177 | -74.7 | -176.3 | 70.2 | 0 | 0 | 111.9 | I171 C172 D173 F179 | I171-M175 VanDerWaalsContact CG2-C 3.47Å; I171-M175 HydrophobicContact CG2-CB 3.15Å; I171-M175 HydrophobicContact CG2-CG 4.39Å; C172-M175 PolarHBondContact O-N 3.48Å; C172-M175 VanDerWaalsContact SG-CG 3.59Å; D173-M175 PolarHBondContact O-N 3.34Å; M175-F179 WeakPolarHBondContact O-CB 3.42Å; M175-F179 PolarHBondContact O-N 3.36Å |
| 176 | Y | 87.1 | Confident | 82.8 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.6 | -42.5 | 176.4 | -171.6 | -92.4 | 0 | 0 | 0 | 111.3 | L128 Y169 C172 D173 D174 S178 F179 V180 F219 L225 | L128-Y176 HydrophobicContact CD1-CD2 4.34Å; L128-Y176 HydrophobicContact CD1-CE2 4Å; Y169-Y176 AromaticContact CD2-CE2 3.9Å; Y169-Y176 HydrophobicContact CD2-CE2 3.9Å; Y169-Y176 HydrophobicContact CE2-CE2 4.31Å; C172-Y176 WeakPolarHBondContact O-CB 3.21Å; C172-Y176 PolarHBondContact O-N 3.12Å; D173-Y176 WeakPolarHBondContact O-CB 3.32Å; D173-Y176 PolarHBondContact O-N 3.1Å; D173-Y176 VanDerWaalsContact O-N 3.17Å; D174-Y176 VanDerWaalsContact C-N 3.27Å; D174-Y176 PolarHBondContact O-N 3.11Å; Y176-S178 VanDerWaalsContact C-N 3.33Å; Y176-S178 PolarHBondContact O-N 2.93Å; Y176-F179 WeakPolarHBondContact O-CB 3.36Å; Y176-F179 PolarHBondContact O-N 3.33Å; Y176-V180 HydrophobicContact CD1-CG2 4.25Å; Y176-V180 HydrophobicContact CE1-CG2 3.92Å; Y176-V180 WeakPolarHBondContact O-CG2 3.46Å; Y176-V180 PolarHBondContact O-N 2.96Å; Y176-F219 PolarHBondContact OH-O 3.45Å; Y176-L225 HydrophobicContact CD1-CD1 4.06Å; Y176-L225 HydrophobicContact CD1-CG 4.17Å; Y176-L225 HydrophobicContact CE1-CD1 3.53Å; Y176-L225 HydrophobicContact CE1-CG 3.92Å |
| 177 | L | 85.6 | Confident | 84.5 | Confident | 87 Ų | 87 | 50 Ų | 50 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 172.2 | -73.1 | 170.2 | 0 | 0 | 0 | 111.5 | D173 D174 F179 V180 S181 L225 | D173-L177 PolarHBondContact O-N 2.72Å; D174-L177 PolarHBondContact O-N 3.43Å; L177-F179 VanDerWaalsContact C-N 3.34Å; L177-F179 PolarHBondContact O-N 2.98Å; L177-V180 PolarHBondContact O-N 2.91Å; L177-S181 WeakPolarHBondContact O-CB 3.39Å; L177-S181 PolarHBondContact O-N 2.7Å; L177-L225 HydrophobicContact CD2-CD2 3.74Å |
| 178 | S | 90.1 | Very high | 86.1 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | D174 Y176 V180 S181 N182 | D174-S178 PolarHBondContact O-N 3.26Å; D174-S178 VanDerWaalsContact O-N 3.11Å; Y176-S178 VanDerWaalsContact C-N 3.33Å; Y176-S178 PolarHBondContact O-N 2.93Å; S178-V180 PolarHBondContact O-N 2.7Å; S178-S181 WeakPolarHBondContact O-CB 3.49Å; S178-S181 PolarHBondContact O-N 3.23Å; S178-N182 WeakPolarHBondContact O-CB 3.39Å; S178-N182 VanDerWaalsContact O-CG 3.29Å; S178-N182 PolarHBondContact O-N 3.4Å |
| 179 | F | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 175.6 | 169.8 | -113.5 | 0 | 0 | 0 | 112.3 | L128 L131 L135 L158 M175 Y176 L177 S181 N182 I183 F219 | L128-F179 HydrophobicContact CD1-CD1 4.36Å; L128-F179 HydrophobicContact CD1-CE1 3.98Å; L128-F179 HydrophobicContact CD2-CE1 4.25Å; L128-F179 HydrophobicContact CD2-CZ 4.03Å; L131-F179 HydrophobicContact CD2-CE2 3.98Å; L131-F179 HydrophobicContact CD2-CZ 4Å; L131-F179 HydrophobicContact CG-CE2 3.99Å; L135-F179 HydrophobicContact CD1-CD2 4.09Å; L135-F179 HydrophobicContact CD1-CE2 3.72Å; L158-F179 HydrophobicContact CD2-CE2 4.45Å; L158-F179 HydrophobicContact CD2-CZ 4.09Å; M175-F179 WeakPolarHBondContact O-CB 3.42Å; M175-F179 PolarHBondContact O-N 3.36Å; Y176-F179 WeakPolarHBondContact O-CB 3.36Å; Y176-F179 PolarHBondContact O-N 3.33Å; L177-F179 VanDerWaalsContact C-N 3.34Å; L177-F179 PolarHBondContact O-N 2.98Å; F179-S181 VanDerWaalsContact C-N 3.31Å; F179-S181 PolarHBondContact O-N 3.34Å; F179-N182 WeakPolarHBondContact O-CB 3.46Å; F179-N182 PolarHBondContact O-N 2.89Å; F179-I183 HydrophobicContact CD1-CD1 4.11Å; F179-I183 HydrophobicContact CD2-CD1 4.44Å; F179-I183 HydrophobicContact CE1-CD1 3.62Å; F179-I183 HydrophobicContact CE2-CD1 3.99Å; F179-I183 HydrophobicContact CE2-CG1 4.17Å; F179-I183 HydrophobicContact CZ-CD1 3.57Å; F179-I183 HydrophobicContact CZ-CG1 4.24Å; F179-I183 WeakPolarHBondContact O-CG1 3.2Å; F179-I183 PolarHBondContact O-N 2.89Å; F179-F219 HydrophobicContact CE1-CD1 4.1Å; F179-F219 HydrophobicContact CE1-CD2 4.21Å; F179-F219 HydrophobicContact CE1-CE1 4.11Å; F179-F219 HydrophobicContact CE1-CE2 4.25Å; F179-F219 HydrophobicContact CE1-CG 4.17Å; F179-F219 HydrophobicContact CE1-CZ 4.19Å; F179-F219 HydrophobicContact CZ-CE2 4.35Å; F179-F219 HydrophobicContact CZ-CZ 4.34Å |
| 180 | V | 91.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | Y176 L177 S178 N182 I183 F184 V216 F219 V220 L242 | Y176-V180 HydrophobicContact CD1-CG2 4.25Å; Y176-V180 HydrophobicContact CE1-CG2 3.92Å; Y176-V180 WeakPolarHBondContact O-CG2 3.46Å; Y176-V180 PolarHBondContact O-N 2.96Å; L177-V180 PolarHBondContact O-N 2.91Å; S178-V180 PolarHBondContact O-N 2.7Å; V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 2.68Å; V180-I183 PolarHBondContact O-N 3.27Å; V180-F184 PolarHBondContact O-N 2.8Å; V180-V216 HydrophobicContact CG1-CG1 4.2Å; V180-F219 HydrophobicContact CG2-CB 4.1Å; V180-V220 HydrophobicContact CG1-CG2 3.62Å; V180-L242 HydrophobicContact CG1-CD1 3.98Å |
| 181 | S | 91.7 | Very high | 88.4 | Confident | 52 Ų | 52 | 35.7 Ų | 35.7 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 175.2 | -169.6 | 0 | 0 | 0 | 0 | 112 | L177 S178 F179 I183 F184 Q185 | L177-S181 WeakPolarHBondContact O-CB 3.39Å; L177-S181 PolarHBondContact O-N 2.7Å; S178-S181 WeakPolarHBondContact O-CB 3.49Å; S178-S181 PolarHBondContact O-N 3.23Å; F179-S181 VanDerWaalsContact C-N 3.31Å; F179-S181 PolarHBondContact O-N 3.34Å; S181-I183 PolarHBondContact O-N 3.47Å; S181-F184 CarbonylContact O-C 3.58Å; S181-F184 WeakPolarHBondContact O-CB 3.41Å; S181-F184 PolarHBondContact O-N 2.81Å; S181-Q185 PolarHBondContact O-N 2.84Å |
| 182 | N | 94.2 | Very high | 88.5 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.1 | -74.1 | -16.6 | 0 | 0 | 0 | 112.2 | L135 Q136 L139 S178 F179 V180 F184 Q185 V186 | L135-N182 HydrophobicContact CB-CB 4.33Å; Q136-N182 PolarHBondContact OE1-ND2 3.23Å; Q136-N182 PolarHBondContact OE1-OD1 3.47Å; L139-N182 HydrophobicContact CD1-CB 3.7Å; S178-N182 WeakPolarHBondContact O-CB 3.39Å; S178-N182 VanDerWaalsContact O-CG 3.29Å; S178-N182 PolarHBondContact O-N 3.4Å; F179-N182 WeakPolarHBondContact O-CB 3.46Å; F179-N182 PolarHBondContact O-N 2.89Å; V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 2.68Å; N182-F184 VanDerWaalsContact C-N 3.29Å; N182-F184 PolarHBondContact O-N 3.33Å; N182-Q185 PolarHBondContact O-N 2.94Å; N182-Q185 VanDerWaalsContact O-N 3.16Å; N182-V186 WeakPolarHBondContact O-CG2 2.91Å; N182-V186 PolarHBondContact O-N 2.86Å |
| 183 | I | 95.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 173.8 | -58.4 | 165.4 | 0 | 0 | 0 | 110.2 | L135 L158 F179 V180 S181 Q185 V186 L187 I212 V216 F219 | L135-I183 HydrophobicContact CD1-CG1 3.96Å; L158-I183 HydrophobicContact CD1-CG1 4.42Å; L158-I183 HydrophobicContact CD1-CG2 3.7Å; L158-I183 HydrophobicContact CD2-CD1 3.57Å; L158-I183 HydrophobicContact CD2-CG1 3.68Å; L158-I183 HydrophobicContact CD2-CG2 4.36Å; F179-I183 HydrophobicContact CD1-CD1 4.11Å; F179-I183 HydrophobicContact CD2-CD1 4.44Å; F179-I183 HydrophobicContact CE1-CD1 3.62Å; F179-I183 HydrophobicContact CE2-CD1 3.99Å; F179-I183 HydrophobicContact CE2-CG1 4.17Å; F179-I183 HydrophobicContact CZ-CD1 3.57Å; F179-I183 HydrophobicContact CZ-CG1 4.24Å; F179-I183 WeakPolarHBondContact O-CG1 3.2Å; F179-I183 PolarHBondContact O-N 2.89Å; V180-I183 PolarHBondContact O-N 3.27Å; S181-I183 PolarHBondContact O-N 3.47Å; I183-Q185 VanDerWaalsContact C-N 3.3Å; I183-Q185 PolarHBondContact O-N 2.78Å; I183-V186 WeakPolarHBondContact O-CB 3.37Å; I183-V186 PolarHBondContact O-N 3.35Å; I183-L187 PolarHBondContact O-N 2.8Å; I183-L187 VanDerWaalsContact O-N 3.1Å; I183-I212 HydrophobicContact CG2-CG2 3.98Å; I183-V216 HydrophobicContact CB-CG2 4.05Å; I183-V216 HydrophobicContact CG2-CG2 3.46Å; I183-V216 VanDerWaalsContact CG2-CG2 3.46Å; I183-F219 HydrophobicContact CD1-CD2 3.76Å; I183-F219 HydrophobicContact CD1-CE2 4.2Å; I183-F219 HydrophobicContact CD1-CG 4.5Å |
| 184 | F | 93.8 | Very high | 88.3 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 176.9 | 179.7 | -104.2 | 0 | 0 | 0 | 111.8 | V180 S181 N182 V186 L187 V188 V216 L242 V243 V246 M262 | V180-F184 PolarHBondContact O-N 2.8Å; S181-F184 CarbonylContact O-C 3.58Å; S181-F184 WeakPolarHBondContact O-CB 3.41Å; S181-F184 PolarHBondContact O-N 2.81Å; N182-F184 VanDerWaalsContact C-N 3.29Å; N182-F184 PolarHBondContact O-N 3.33Å; F184-V186 VanDerWaalsContact C-N 3.33Å; F184-V186 PolarHBondContact O-N 2.79Å; F184-L187 HydrophobicContact CD2-CD2 4.21Å; F184-L187 HydrophobicContact CE2-CD2 4.36Å; F184-L187 WeakPolarHBondContact O-CA 3.43Å; F184-L187 VanDerWaalsContact O-CB 3.26Å; F184-L187 WeakPolarHBondContact O-CB 3.3Å; F184-L187 PolarHBondContact O-N 2.9Å; F184-L187 VanDerWaalsContact O-N 3.09Å; F184-V188 HydrophobicContact CD1-CG2 4.1Å; F184-V188 HydrophobicContact CE1-CG2 3.63Å; F184-V188 HydrophobicContact CE2-CG2 4.37Å; F184-V188 HydrophobicContact CZ-CG2 3.8Å; F184-V188 WeakPolarHBondContact O-CG2 3.5Å; F184-V188 PolarHBondContact O-N 3.34Å; F184-V216 HydrophobicContact CB-CG2 4.44Å; F184-L242 HydrophobicContact CB-CD2 4.1Å; F184-L242 HydrophobicContact CD1-CB 4.14Å; F184-L242 HydrophobicContact CD1-CD2 4.38Å; F184-L242 HydrophobicContact CD2-CB 4.4Å; F184-L242 HydrophobicContact CE1-CB 4.36Å; F184-L242 WeakPolarHBondContact CE1-O 3.5Å; F184-L242 HydrophobicContact CG-CB 4.16Å; F184-L242 HydrophobicContact CG-CD2 4.33Å; F184-L242 WeakPolarHBondContact CZ-O 3.5Å; F184-V243 HydrophobicContact CE2-CG2 3.92Å; F184-V243 HydrophobicContact CZ-CB 4.47Å; F184-V243 HydrophobicContact CZ-CG2 4.04Å; F184-V246 HydrophobicContact CE1-CB 4.48Å; F184-V246 HydrophobicContact CE1-CG2 3.51Å; F184-V246 HydrophobicContact CZ-CB 4.23Å; F184-V246 HydrophobicContact CZ-CG2 3.66Å; F184-M262 HydrophobicContact CD2-CG 4.11Å; F184-M262 HydrophobicContact CD2-SD 4.29Å; F184-M262 HydrophobicContact CE2-CG 3.85Å |
| 185 | Q | 92.2 | Very high | 87.5 | Confident | 86 Ų | 86 | 29.2 Ų | 29.2 | 40% | 0.402 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.1 | -32.3 | 176.6 | -164.1 | 61.6 | 9.5 | 0 | 0 | 112.9 | L139 S181 N182 I183 L187 V188 T189 | L139-Q185 HydrophobicContact CD1-CB 4.03Å; L139-Q185 HydrophobicContact CD1-CG 4.37Å; L139-Q185 HydrophobicContact CD2-CB 4.12Å; L139-Q185 HydrophobicContact CD2-CG 3.91Å; S181-Q185 PolarHBondContact O-N 2.84Å; N182-Q185 PolarHBondContact O-N 2.94Å; N182-Q185 VanDerWaalsContact O-N 3.16Å; I183-Q185 VanDerWaalsContact C-N 3.3Å; I183-Q185 PolarHBondContact O-N 2.78Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-V188 PolarHBondContact O-N 3.39Å; Q185-T189 WeakPolarHBondContact O-CB 3.34Å; Q185-T189 PolarHBondContact O-N 3.4Å; Q185-T189 PolarHBondContact O-OG1 3.5Å |
| 186 | V | 94.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 168.6 | 175 | 0 | 0 | 0 | 0 | 110.3 | L135 L139 L144 Y151 I154 N182 I183 F184 T189 L190 I212 | L135-V186 HydrophobicContact CD2-CG2 4.1Å; L139-V186 HydrophobicContact CD2-CG2 4.19Å; L144-V186 HydrophobicContact CD1-CB 4.34Å; L144-V186 HydrophobicContact CD1-CG1 4.13Å; L144-V186 HydrophobicContact CD1-CG2 4.09Å; Y151-V186 HydrophobicContact CD1-CG1 3.89Å; Y151-V186 HydrophobicContact CE1-CG1 3.71Å; I154-V186 HydrophobicContact CD1-CG1 4.17Å; I154-V186 HydrophobicContact CD1-CG2 4.4Å; I154-V186 HydrophobicContact CG2-CG1 4.28Å; N182-V186 WeakPolarHBondContact O-CG2 2.91Å; N182-V186 PolarHBondContact O-N 2.86Å; I183-V186 WeakPolarHBondContact O-CB 3.37Å; I183-V186 PolarHBondContact O-N 3.35Å; F184-V186 VanDerWaalsContact C-N 3.33Å; F184-V186 PolarHBondContact O-N 2.79Å; V186-T189 PolarHBondContact O-N 2.94Å; V186-L190 PolarHBondContact O-N 3.4Å; V186-I212 HydrophobicContact CG1-CD1 4.24Å |
| 187 | L | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 176.1 | -177.9 | 67.9 | 0 | 0 | 0 | 111.6 | I183 F184 Q185 T189 L190 S191 V209 I212 A213 S258 M262 | I183-L187 PolarHBondContact O-N 2.8Å; I183-L187 VanDerWaalsContact O-N 3.1Å; F184-L187 HydrophobicContact CD2-CD2 4.21Å; F184-L187 HydrophobicContact CE2-CD2 4.36Å; F184-L187 WeakPolarHBondContact O-CA 3.43Å; F184-L187 VanDerWaalsContact O-CB 3.26Å; F184-L187 WeakPolarHBondContact O-CB 3.3Å; F184-L187 PolarHBondContact O-N 2.9Å; F184-L187 VanDerWaalsContact O-N 3.09Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; L187-T189 VanDerWaalsContact C-N 3.35Å; L187-T189 PolarHBondContact O-N 2.95Å; L187-L190 PolarHBondContact O-N 2.54Å; L187-S191 WeakPolarHBondContact O-CB 3.11Å; L187-S191 PolarHBondContact O-N 3.11Å; L187-S191 PolarHBondContact O-OG 3.41Å; L187-V209 HydrophobicContact CD1-CB 4.36Å; L187-V209 HydrophobicContact CD1-CG1 3.61Å; L187-V209 WeakPolarHBondContact CD1-O 3.49Å; L187-I212 HydrophobicContact CB-CG2 3.91Å; L187-I212 HydrophobicContact CD1-CB 4.16Å; L187-I212 HydrophobicContact CD1-CG2 4.18Å; L187-A213 HydrophobicContact CD1-CB 4.38Å; L187-A213 HydrophobicContact CD2-CB 3.95Å; L187-S258 PolarHBondContact O-OG 3.19Å; L187-M262 HydrophobicContact CD2-CG 3.8Å; L187-M262 HydrophobicContact CD2-SD 4.12Å |
| 188 | V | 89.5 | Confident | 82.9 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | F184 Q185 L190 S191 S192 V246 S258 | F184-V188 HydrophobicContact CD1-CG2 4.1Å; F184-V188 HydrophobicContact CE1-CG2 3.63Å; F184-V188 HydrophobicContact CE2-CG2 4.37Å; F184-V188 HydrophobicContact CZ-CG2 3.8Å; F184-V188 WeakPolarHBondContact O-CG2 3.5Å; F184-V188 PolarHBondContact O-N 3.34Å; Q185-V188 PolarHBondContact O-N 3.39Å; V188-L190 VanDerWaalsContact C-N 3.34Å; V188-L190 PolarHBondContact O-N 2.85Å; V188-S191 WeakPolarHBondContact O-CB 3.24Å; V188-S191 PolarHBondContact O-N 2.97Å; V188-S192 PolarHBondContact O-N 2.93Å; V188-V246 HydrophobicContact CG1-CG2 4.32Å; V188-V246 HydrophobicContact CG2-CG1 4.4Å; V188-V246 HydrophobicContact CG2-CG2 3.49Å; V188-V246 VanDerWaalsContact CG2-CG2 3.49Å; V188-S258 WeakPolarHBondContact CA-OG 3.45Å |
| 189 | T | 89.3 | Confident | 81.1 | Confident | 30 Ų | 30 | 35.2 Ų | 35.2 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -36.1 | 179.2 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | L144 Y151 Q185 V186 L187 S192 | L144-T189 HydrophobicContact CB-CG2 3.85Å; L144-T189 HydrophobicContact CD1-CG2 4.05Å; Y151-T189 PolarHBondContact OH-O 3.22Å; Q185-T189 WeakPolarHBondContact O-CB 3.34Å; Q185-T189 PolarHBondContact O-N 3.4Å; Q185-T189 PolarHBondContact O-OG1 3.5Å; V186-T189 PolarHBondContact O-N 2.94Å; L187-T189 VanDerWaalsContact C-N 3.35Å; L187-T189 PolarHBondContact O-N 2.95Å; T189-S192 PolarHBondContact O-OG 3.37Å |
| 190 | L | 87.9 | Confident | 79.4 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 173.5 | -178.1 | 56.2 | 0 | 0 | 0 | 110.8 | Y151 V186 L187 V188 S192 Q193 F194 L208 V209 I212 | Y151-L190 HydrophobicContact CD1-CB 4.23Å; Y151-L190 HydrophobicContact CD1-CD1 4.16Å; Y151-L190 HydrophobicContact CD1-CD2 4.31Å; Y151-L190 HydrophobicContact CD1-CG 4.47Å; Y151-L190 HydrophobicContact CD2-CD1 4.06Å; Y151-L190 HydrophobicContact CE1-CB 3.53Å; Y151-L190 HydrophobicContact CE1-CD1 3.98Å; Y151-L190 HydrophobicContact CE1-CD2 4.42Å; Y151-L190 HydrophobicContact CE1-CG 4.17Å; Y151-L190 HydrophobicContact CE2-CD1 3.86Å; Y151-L190 HydrophobicContact CG-CD1 4.19Å; Y151-L190 WeakPolarHBondContact OH-CA 3.28Å; Y151-L190 PolarHBondContact OH-N 2.83Å; V186-L190 PolarHBondContact O-N 3.4Å; L187-L190 PolarHBondContact O-N 2.54Å; V188-L190 VanDerWaalsContact C-N 3.34Å; V188-L190 PolarHBondContact O-N 2.85Å; L190-S192 VanDerWaalsContact C-N 3.29Å; L190-S192 PolarHBondContact O-N 3.11Å; L190-Q193 WeakPolarHBondContact O-CB 3.45Å; L190-Q193 PolarHBondContact O-N 2.75Å; L190-F194 HydrophobicContact CG-CE2 4.39Å; L190-F194 WeakPolarHBondContact O-CE2 3.42Å; L190-L208 HydrophobicContact CD1-CD2 4.27Å; L190-L208 HydrophobicContact CD2-CB 4.48Å; L190-L208 HydrophobicContact CD2-CD2 3.93Å; L190-L208 HydrophobicContact CD2-CG 3.76Å; L190-V209 HydrophobicContact CD2-CB 4.43Å; L190-V209 HydrophobicContact CD2-CG2 3.58Å; L190-V209 HydrophobicContact CG-CG2 3.93Å; L190-I212 HydrophobicContact CD2-CD1 3.89Å |
| 191 | S | 84 | Confident | 77.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -30.4 | -179.2 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | L187 V188 Q193 F194 I257 S258 | L187-S191 WeakPolarHBondContact O-CB 3.11Å; L187-S191 PolarHBondContact O-N 3.11Å; L187-S191 PolarHBondContact O-OG 3.41Å; V188-S191 WeakPolarHBondContact O-CB 3.24Å; V188-S191 PolarHBondContact O-N 2.97Å; S191-Q193 PolarHBondContact O-N 3.19Å; S191-F194 WeakPolarHBondContact O-CD2 3.33Å; S191-F194 PolarHBondContact O-N 3.12Å; S191-I257 WeakPolarHBondContact OG-CG2 3.18Å; S191-S258 WeakPolarHBondContact CB-OG 3.46Å; S191-S258 PolarHBondContact OG-N 3.02Å; S191-S258 PolarHBondContact OG-OG 2.74Å |
| 192 | S | 82.3 | Confident | 76.1 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.2 | -16.4 | 178.9 | 66.5 | 0 | 0 | 0 | 0 | 113.5 | V188 T189 L190 F194 | V188-S192 PolarHBondContact O-N 2.93Å; T189-S192 PolarHBondContact O-OG 3.37Å; L190-S192 VanDerWaalsContact C-N 3.29Å; L190-S192 PolarHBondContact O-N 3.11Å; S192-F194 VanDerWaalsContact C-N 3.29Å; S192-F194 PolarHBondContact O-N 2.91Å |
| 193 | Q | 80.4 | Confident | 74.8 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 23% | 0.229 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -15.8 | 176.5 | -63.1 | -179.1 | 5.6 | 0 | 0 | 113.2 | L144 Y151 L190 S191 | L144-Q193 PolarHBondContact O-NE2 3.43Å; Y151-Q193 PolarHBondContact OH-NE2 3.17Å; L190-Q193 WeakPolarHBondContact O-CB 3.45Å; L190-Q193 PolarHBondContact O-N 2.75Å; S191-Q193 PolarHBondContact O-N 3.19Å |
| 194 | F | 76.3 | Confident | 73.8 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -79.7 | 126.7 | 179.2 | -59.1 | -67.4 | 0 | 0 | 0 | 111 | L190 S191 S192 S196 P200 D205 V209 I257 | L190-F194 HydrophobicContact CG-CE2 4.39Å; L190-F194 WeakPolarHBondContact O-CE2 3.42Å; S191-F194 WeakPolarHBondContact O-CD2 3.33Å; S191-F194 PolarHBondContact O-N 3.12Å; S192-F194 VanDerWaalsContact C-N 3.29Å; S192-F194 PolarHBondContact O-N 2.91Å; F194-S196 PolarHBondContact O-N 2.87Å; F194-P200 HydrophobicContact CD1-CB 3.94Å; F194-P200 HydrophobicContact CE1-CB 3.86Å; F194-D205 HydrophobicContact CE1-CB 3.73Å; F194-D205 HydrophobicContact CZ-CB 3.87Å; F194-V209 HydrophobicContact CE2-CG2 3.83Å; F194-V209 HydrophobicContact CZ-CG2 4.06Å; F194-I257 HydrophobicContact CB-CD1 3.76Å; F194-I257 HydrophobicContact CD2-CD1 3.41Å; F194-I257 VanDerWaalsContact CD2-CD1 3.41Å; F194-I257 HydrophobicContact CD2-CG2 4.24Å; F194-I257 HydrophobicContact CE2-CD1 4.29Å; F194-I257 HydrophobicContact CE2-CG2 4.22Å; F194-I257 HydrophobicContact CG-CD1 3.81Å |
| 195 | P | 64.3 | Low | 73.1 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 137.5 | -178.3 | -15.1 | 24.9 | 0 | 0 | 0 | 111.6 | G197 K198 | P195-G197 PolarHBondContact O-N 2.74Å; P195-G197 VanDerWaalsContact O-N 3.16Å; P195-K198 HydrophobicContact CB-CB 4.26Å; P195-K198 PolarHBondContact O-N 3.32Å; P195-K198 VanDerWaalsContact O-N 3.1Å |
| 196 | S | 57.9 | Low | 72.4 | Confident | 90 Ų | 90 | 52.4 Ų | 52.4 | 63% | 0.629 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 121.7 | 179.2 | -40.9 | 0 | 0 | 0 | 0 | 111.2 | F194 K198 | F194-S196 PolarHBondContact O-N 2.87Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.36Å |
| 197 | G | 51.1 | Low | 71.9 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 5.4 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | P195 | P195-G197 PolarHBondContact O-N 2.74Å; P195-G197 VanDerWaalsContact O-N 3.16Å |
| 198 | K | 52.2 | Low | 71.8 | Confident | 128 Ų | 128 | 57.9 Ų | 57.9 | 56% | 0.557 | 31% | 0.308 | S | S | * | . | trans | -111.8 | 118.1 | 169.2 | -70.4 | 179.8 | 174.7 | -178.7 | 0 | 108.8 | P195 S196 F201 | P195-K198 HydrophobicContact CB-CB 4.26Å; P195-K198 PolarHBondContact O-N 3.32Å; P195-K198 VanDerWaalsContact O-N 3.1Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.36Å; K198-F201 HydrophobicContact CB-CE2 3.94Å; K198-F201 HydrophobicContact CB-CZ 3.93Å; K198-F201 HydrophobicContact CD-CE2 4.33Å; K198-F201 HydrophobicContact CD-CZ 4.07Å; K198-F201 HydrophobicContact CG-CZ 4.28Å | ||
| 199 | F | 51.9 | Low | 71.7 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 28% | 0.281 | 31% | 0.306 | S | S | . | . | trans | -50 | 146.8 | 176.1 | -95.8 | -105.9 | 0 | 0 | 0 | 111.1 | F201 T310 L362 | F199-F201 WeakPolarHBondContact O-CD2 3.39Å; F199-F201 PolarHBondContact O-N 2.76Å; F199-T310 WeakPolarHBondContact CE1-O 3.39Å; F199-T310 HydrophobicContact CE2-CG2 4.13Å; F199-T310 HydrophobicContact CZ-CG2 4.34Å; F199-T310 WeakPolarHBondContact CZ-O 3.41Å; F199-L362 HydrophobicContact CE2-CD1 4.13Å; F199-L362 HydrophobicContact CZ-CD1 4.05Å | ||
| 200 | P | 55.7 | Low | 71.6 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | trans | -54.3 | 111.3 | 166.1 | 20.7 | -29 | 0 | 0 | 0 | 108.5 | F194 Y202 I206 | F194-P200 HydrophobicContact CD1-CB 3.94Å; F194-P200 HydrophobicContact CE1-CB 3.86Å; P200-Y202 PolarHBondContact O-N 2.94Å; P200-Y202 VanDerWaalsContact O-N 3.12Å; P200-I206 HydrophobicContact CB-CD1 4.3Å; P200-I206 HydrophobicContact CB-CG1 3.95Å; P200-I206 HydrophobicContact CG-CD1 3.88Å; P200-I206 HydrophobicContact CG-CG1 3.51Å | ||
| 201 | F | 52.7 | Low | 71.7 | Confident | 150 Ų | 150 | 57 Ų | 57 | 66% | 0.658 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -67.3 | -11.9 | -174.2 | -67.6 | -81 | 0 | 0 | 0 | 112.9 | K198 F199 | K198-F201 HydrophobicContact CB-CE2 3.94Å; K198-F201 HydrophobicContact CB-CZ 3.93Å; K198-F201 HydrophobicContact CD-CE2 4.33Å; K198-F201 HydrophobicContact CD-CZ 4.07Å; K198-F201 HydrophobicContact CG-CZ 4.28Å; F199-F201 WeakPolarHBondContact O-CD2 3.39Å; F199-F201 PolarHBondContact O-N 2.76Å |
| 202 | Y | 61.2 | Low | 72.2 | Confident | 157 Ų | 157 | 57 Ų | 57 | 62% | 0.616 | 30% | 0.303 | S | S | * | . | trans | -125.1 | 124.9 | -173.8 | -66.6 | -78.5 | 0 | 0 | 0 | 111.7 | P200 F204 D205 | P200-Y202 PolarHBondContact O-N 2.94Å; P200-Y202 VanDerWaalsContact O-N 3.12Å; Y202-F204 PolarHBondContact O-N 2.94Å; Y202-D205 PolarHBondContact O-N 3.39Å; Y202-D205 VanDerWaalsContact O-N 3.1Å | ||
| 203 | S | 67.3 | Low | 72.7 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 51% | 0.51 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -50.5 | -26 | 173.8 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | K207 | S203-K207 WeakPolarHBondContact O-CG 3.34Å; S203-K207 PolarHBondContact O-N 2.78Å |
| 204 | F | 74 | Confident | 73.2 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.1 | -42.4 | -176 | -169 | -72.2 | 0 | 0 | 0 | 111.8 | F152 Y202 I206 K207 L208 | F152-F204 HydrophobicContact CD1-CE1 4.31Å; F152-F204 HydrophobicContact CD1-CZ 4.18Å; F152-F204 HydrophobicContact CE1-CD1 4.23Å; F152-F204 AromaticContact CE1-CE1 3Å; F152-F204 HydrophobicContact CE1-CE1 3Å; F152-F204 HydrophobicContact CE1-CE2 4.47Å; F152-F204 AromaticContact CE1-CZ 3.13Å; F152-F204 HydrophobicContact CE1-CZ 3.13Å; F152-F204 HydrophobicContact CE2-CE1 4.31Å; F152-F204 AromaticContact CZ-CD1 3.88Å; F152-F204 HydrophobicContact CZ-CD1 3.88Å; F152-F204 AromaticContact CZ-CE1 2.99Å; F152-F204 HydrophobicContact CZ-CE1 2.99Å; F152-F204 AromaticContact CZ-CZ 3.39Å; F152-F204 HydrophobicContact CZ-CZ 3.39Å; Y202-F204 PolarHBondContact O-N 2.94Å; F204-I206 VanDerWaalsContact C-N 3.31Å; F204-I206 PolarHBondContact O-N 2.83Å; F204-K207 PolarHBondContact O-N 3.04Å; F204-L208 PolarHBondContact O-N 3.37Å; F204-L208 VanDerWaalsContact O-N 3.15Å |
| 205 | D | 79.3 | Confident | 74 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -34.1 | -178.3 | -65.2 | -28.9 | 0 | 0 | 0 | 110.9 | K148 F194 Y202 L208 V209 | K148-D205 IonicContact NZ-OD1 2.76Å; K148-D205 PolarHBondContact NZ-OD1 2.97Å; K148-D205 IonicContact NZ-OD2 3.3Å; K148-D205 PolarHBondContact NZ-OD2 3.42Å; K148-D205 VanDerWaalsContact NZ-OD2 3.15Å; F194-D205 HydrophobicContact CE1-CB 3.73Å; F194-D205 HydrophobicContact CZ-CB 3.87Å; Y202-D205 PolarHBondContact O-N 3.39Å; Y202-D205 VanDerWaalsContact O-N 3.1Å; D205-L208 WeakPolarHBondContact O-CB 3.35Å; D205-L208 PolarHBondContact O-N 3.43Å; D205-V209 WeakPolarHBondContact O-CG2 3.28Å; D205-V209 PolarHBondContact O-N 3.14Å; D205-V209 VanDerWaalsContact O-N 3.07Å |
| 206 | I | 77.8 | Confident | 75.3 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 174.1 | -62.6 | 146.8 | 0 | 0 | 0 | 111.1 | P200 F204 L208 V209 E210 W311 S312 | P200-I206 HydrophobicContact CB-CD1 4.3Å; P200-I206 HydrophobicContact CB-CG1 3.95Å; P200-I206 HydrophobicContact CG-CD1 3.88Å; P200-I206 HydrophobicContact CG-CG1 3.51Å; F204-I206 VanDerWaalsContact C-N 3.31Å; F204-I206 PolarHBondContact O-N 2.83Å; I206-L208 PolarHBondContact O-N 3.14Å; I206-V209 PolarHBondContact O-N 2.83Å; I206-V209 VanDerWaalsContact O-N 3.16Å; I206-E210 HydrophobicContact CG2-CG 4.41Å; I206-E210 WeakPolarHBondContact O-CG 3Å; I206-E210 PolarHBondContact O-N 3.06Å; I206-W311 HydrophobicContact CG2-CH2 4.31Å; I206-W311 HydrophobicContact CG2-CZ2 4Å; I206-S312 WeakPolarHBondContact CD1-OG 3.49Å; I206-S312 VanDerWaalsContact CG1-OG 3.29Å; I206-S312 WeakPolarHBondContact CG1-OG 3.42Å |
| 207 | K | 83 | Confident | 76.8 | Confident | 111 Ų | 111 | 49.1 Ų | 49.1 | 48% | 0.483 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.1 | -35.9 | 177.9 | -75.2 | 178.8 | -179.9 | -176.8 | 0 | 112 | S203 F204 S211 L314 | S203-K207 WeakPolarHBondContact O-CG 3.34Å; S203-K207 PolarHBondContact O-N 2.78Å; F204-K207 PolarHBondContact O-N 3.04Å; K207-S211 VanDerWaalsContact O-CB 3.27Å; K207-S211 WeakPolarHBondContact O-CB 3.17Å; K207-S211 PolarHBondContact O-N 3.42Å; K207-L314 HydrophobicContact CD-CD1 4.46Å; K207-L314 HydrophobicContact CG-CD1 3.96Å |
| 208 | L | 89 | Confident | 78.6 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -47.7 | 176.2 | 179.2 | 61.4 | 0 | 0 | 0 | 111.3 | Y151 F152 Q155 L190 F204 D205 I206 E210 S211 I212 | Y151-L208 HydrophobicContact CG-CD2 4.42Å; F152-L208 HydrophobicContact CD1-CD1 4.45Å; F152-L208 HydrophobicContact CE1-CD1 4.33Å; F152-L208 HydrophobicContact CE1-CD2 4.29Å; Q155-L208 HydrophobicContact CB-CD1 3.68Å; Q155-L208 HydrophobicContact CG-CD1 3.84Å; L190-L208 HydrophobicContact CD1-CD2 4.27Å; L190-L208 HydrophobicContact CD2-CB 4.48Å; L190-L208 HydrophobicContact CD2-CD2 3.93Å; L190-L208 HydrophobicContact CD2-CG 3.76Å; F204-L208 PolarHBondContact O-N 3.37Å; F204-L208 VanDerWaalsContact O-N 3.15Å; D205-L208 WeakPolarHBondContact O-CB 3.35Å; D205-L208 PolarHBondContact O-N 3.43Å; I206-L208 PolarHBondContact O-N 3.14Å; L208-E210 PolarHBondContact O-N 3.44Å; L208-S211 PolarHBondContact O-N 3.4Å; L208-I212 HydrophobicContact CD1-CD1 4.12Å; L208-I212 HydrophobicContact CD1-CG1 4.45Å; L208-I212 HydrophobicContact CG-CD1 4.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 2.73Å |
| 209 | V | 88.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | L187 L190 F194 D205 I206 S211 I212 A213 I257 S261 W311 | L187-V209 HydrophobicContact CD1-CB 4.36Å; L187-V209 HydrophobicContact CD1-CG1 3.61Å; L187-V209 WeakPolarHBondContact CD1-O 3.49Å; L190-V209 HydrophobicContact CD2-CB 4.43Å; L190-V209 HydrophobicContact CD2-CG2 3.58Å; L190-V209 HydrophobicContact CG-CG2 3.93Å; F194-V209 HydrophobicContact CE2-CG2 3.83Å; F194-V209 HydrophobicContact CZ-CG2 4.06Å; D205-V209 WeakPolarHBondContact O-CG2 3.28Å; D205-V209 PolarHBondContact O-N 3.14Å; D205-V209 VanDerWaalsContact O-N 3.07Å; I206-V209 PolarHBondContact O-N 2.83Å; I206-V209 VanDerWaalsContact O-N 3.16Å; V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 3.34Å; V209-I212 PolarHBondContact O-N 3.09Å; V209-A213 WeakPolarHBondContact O-CB 3.23Å; V209-A213 PolarHBondContact O-N 2.91Å; V209-I257 HydrophobicContact CG1-CG2 3.79Å; V209-I257 HydrophobicContact CG2-CG2 4.23Å; V209-S261 WeakPolarHBondContact CG1-OG 3.36Å; V209-W311 HydrophobicContact CB-CH2 4.02Å; V209-W311 HydrophobicContact CG1-CH2 3.6Å; V209-W311 HydrophobicContact CG1-CZ2 4.22Å |
| 210 | E | 86.6 | Confident | 82 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 177.1 | -70.9 | -169.8 | 150.5 | 0 | 0 | 112.3 | I206 L208 R214 K268 W311 | I206-E210 HydrophobicContact CG2-CG 4.41Å; I206-E210 WeakPolarHBondContact O-CG 3Å; I206-E210 PolarHBondContact O-N 3.06Å; L208-E210 PolarHBondContact O-N 3.44Å; E210-R214 VanDerWaalsContact O-CB 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.49Å; E210-R214 PolarHBondContact O-N 3.38Å; E210-K268 IonicContact OE1-NZ 2.88Å; E210-W311 HydrophobicContact CG-CZ2 3.99Å |
| 211 | S | 91.3 | Very high | 83.2 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 179.1 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | Q155 K207 L208 V209 R214 S215 | Q155-S211 VanDerWaalsContact CG-OG 3.28Å; Q155-S211 WeakPolarHBondContact CG-OG 3.34Å; Q155-S211 PolarHBondContact NE2-OG 2.8Å; K207-S211 VanDerWaalsContact O-CB 3.27Å; K207-S211 WeakPolarHBondContact O-CB 3.17Å; K207-S211 PolarHBondContact O-N 3.42Å; L208-S211 PolarHBondContact O-N 3.4Å; V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 3.34Å; S211-R214 PolarHBondContact O-N 2.95Å; S211-S215 PolarHBondContact O-N 3.02Å; S211-S215 VanDerWaalsContact O-N 3.13Å; S211-S215 PolarHBondContact O-OG 3.47Å |
| 212 | I | 93.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.6 | -44.3 | 178.7 | -64.1 | 171.6 | 0 | 0 | 0 | 110 | Y151 Q155 I183 V186 L187 L190 L208 V209 R214 S215 V216 | Y151-I212 HydrophobicContact CD1-CD1 4.25Å; Q155-I212 HydrophobicContact CB-CG1 4.45Å; I183-I212 HydrophobicContact CG2-CG2 3.98Å; V186-I212 HydrophobicContact CG1-CD1 4.24Å; L187-I212 HydrophobicContact CB-CG2 3.91Å; L187-I212 HydrophobicContact CD1-CB 4.16Å; L187-I212 HydrophobicContact CD1-CG2 4.18Å; L190-I212 HydrophobicContact CD2-CD1 3.89Å; L208-I212 HydrophobicContact CD1-CD1 4.12Å; L208-I212 HydrophobicContact CD1-CG1 4.45Å; L208-I212 HydrophobicContact CG-CD1 4.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 2.73Å; V209-I212 PolarHBondContact O-N 3.09Å; I212-R214 VanDerWaalsContact C-N 3.29Å; I212-R214 PolarHBondContact O-N 3.36Å; I212-S215 WeakPolarHBondContact O-CB 3.31Å; I212-S215 PolarHBondContact O-N 3.19Å; I212-S215 VanDerWaalsContact O-N 3.1Å; I212-V216 PolarHBondContact O-N 2.78Å |
| 213 | A | 91.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.5 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L187 V209 S215 V216 I217 M262 E265 | L187-A213 HydrophobicContact CD1-CB 4.38Å; L187-A213 HydrophobicContact CD2-CB 3.95Å; V209-A213 WeakPolarHBondContact O-CB 3.23Å; V209-A213 PolarHBondContact O-N 2.91Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 3.44Å; A213-V216 WeakPolarHBondContact O-CB 3.38Å; A213-V216 PolarHBondContact O-N 3.36Å; A213-I217 PolarHBondContact O-N 3.47Å; A213-M262 HydrophobicContact CB-SD 4.19Å; A213-E265 HydrophobicContact CB-CG 4.17Å |
| 214 | R | 91.5 | Very high | 84.3 | Confident | 101 Ų | 101 | 29.7 Ų | 29.7 | 38% | 0.381 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 174.9 | -172.1 | 174.8 | -55.9 | 113.7 | 14.6 | 112.1 | E210 S211 I212 V216 I217 T218 E265 | E210-R214 VanDerWaalsContact O-CB 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.49Å; E210-R214 PolarHBondContact O-N 3.38Å; S211-R214 PolarHBondContact O-N 2.95Å; I212-R214 VanDerWaalsContact C-N 3.29Å; I212-R214 PolarHBondContact O-N 3.36Å; R214-V216 VanDerWaalsContact C-N 3.34Å; R214-I217 PolarHBondContact O-N 2.78Å; R214-T218 WeakPolarHBondContact O-CB 3.47Å; R214-T218 PolarHBondContact O-N 3.48Å; R214-T218 PolarHBondContact O-OG1 2.73Å; R214-E265 HydrophobicContact CB-CG 4.18Å; R214-E265 WeakPolarHBondContact CB-OE2 3.49Å; R214-E265 WeakPolarHBondContact CG-OE2 3.45Å; R214-E265 IonicContact CZ-OE1 2.71Å; R214-E265 IonicContact CZ-OE2 2.87Å; R214-E265 IonicContact NE-OE1 3.88Å; R214-E265 IonicContact NE-OE2 2.63Å; R214-E265 PolarHBondContact NE-OE2 2.92Å; R214-E265 VanDerWaalsContact NH2-CD 3.32Å; R214-E265 IonicContact NH2-OE1 3.84Å; R214-E265 PolarHBondContact NH2-OE1 3.37Å; R214-E265 IonicContact NH2-OE2 3.19Å; R214-E265 PolarHBondContact NH2-OE2 3.41Å |
| 215 | S | 93.1 | Very high | 83.8 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | L158 S211 I212 A213 I217 T218 F219 | L158-S215 WeakPolarHBondContact CB-OG 3.43Å; S211-S215 PolarHBondContact O-N 3.02Å; S211-S215 VanDerWaalsContact O-N 3.13Å; S211-S215 PolarHBondContact O-OG 3.47Å; I212-S215 WeakPolarHBondContact O-CB 3.31Å; I212-S215 PolarHBondContact O-N 3.19Å; I212-S215 VanDerWaalsContact O-N 3.1Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 3.44Å; S215-I217 PolarHBondContact O-N 2.83Å; S215-T218 PolarHBondContact O-N 3.15Å; S215-F219 WeakPolarHBondContact O-CD2 3.43Å; S215-F219 PolarHBondContact O-N 2.84Å |
| 216 | V | 92.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.2 | -52.4 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | V180 I183 F184 I212 A213 R214 T218 F219 V220 L242 M262 | V180-V216 HydrophobicContact CG1-CG1 4.2Å; I183-V216 HydrophobicContact CB-CG2 4.05Å; I183-V216 HydrophobicContact CG2-CG2 3.46Å; I183-V216 VanDerWaalsContact CG2-CG2 3.46Å; F184-V216 HydrophobicContact CB-CG2 4.44Å; I212-V216 PolarHBondContact O-N 2.78Å; A213-V216 WeakPolarHBondContact O-CB 3.38Å; A213-V216 PolarHBondContact O-N 3.36Å; R214-V216 VanDerWaalsContact C-N 3.34Å; V216-T218 VanDerWaalsContact C-N 3.29Å; V216-T218 PolarHBondContact O-N 3.17Å; V216-F219 PolarHBondContact O-N 2.94Å; V216-V220 HydrophobicContact CG1-CG2 4.22Å; V216-V220 VanDerWaalsContact O-CG2 3.26Å; V216-V220 WeakPolarHBondContact O-CG2 3.26Å; V216-V220 PolarHBondContact O-N 3.12Å; V216-L242 HydrophobicContact CG1-CD1 3.89Å; V216-M262 HydrophobicContact CB-CE 4.02Å; V216-M262 HydrophobicContact CB-SD 3.65Å; V216-M262 HydrophobicContact CG1-CE 3.49Å; V216-M262 VanDerWaalsContact CG1-CE 3.49Å; V216-M262 HydrophobicContact CG1-SD 3.72Å; V216-M262 HydrophobicContact CG2-SD 4.1Å |
| 217 | I | 89.5 | Confident | 81.7 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -43.8 | 179.6 | -63.7 | -61.9 | 0 | 0 | 0 | 110.9 | A213 R214 S215 F219 V220 T221 V239 M262 E265 L266 F269 | A213-I217 PolarHBondContact O-N 3.47Å; R214-I217 PolarHBondContact O-N 2.78Å; S215-I217 PolarHBondContact O-N 2.83Å; I217-F219 PolarHBondContact O-N 2.71Å; I217-V220 PolarHBondContact O-N 3.16Å; I217-T221 HydrophobicContact CG2-CG2 4.31Å; I217-T221 VanDerWaalsContact O-CG2 3.25Å; I217-T221 WeakPolarHBondContact O-CG2 3.39Å; I217-T221 PolarHBondContact O-N 3.12Å; I217-T221 PolarHBondContact O-OG1 2.73Å; I217-T221 VanDerWaalsContact O-OG1 3.05Å; I217-V239 HydrophobicContact CD1-CG2 4.05Å; I217-M262 HydrophobicContact CD1-CE 3.5Å; I217-M262 VanDerWaalsContact CD1-CE 3.5Å; I217-M262 HydrophobicContact CD1-SD 4.46Å; I217-M262 HydrophobicContact CG1-CE 4.14Å; I217-E265 HydrophobicContact CG1-CB 3.86Å; I217-L266 HydrophobicContact CD1-CB 4.05Å; I217-L266 HydrophobicContact CD1-CD1 4.4Å; I217-F269 HydrophobicContact CG2-CB 4.36Å; I217-F269 HydrophobicContact CG2-CG 4.42Å |
| 218 | T | 88.9 | Confident | 79.9 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -51.2 | 179.5 | -53.8 | 0 | 0 | 0 | 0 | 111 | R214 S215 V216 V220 T221 E222 | R214-T218 WeakPolarHBondContact O-CB 3.47Å; R214-T218 PolarHBondContact O-N 3.48Å; R214-T218 PolarHBondContact O-OG1 2.73Å; S215-T218 PolarHBondContact O-N 3.15Å; V216-T218 VanDerWaalsContact C-N 3.29Å; V216-T218 PolarHBondContact O-N 3.17Å; T218-V220 PolarHBondContact O-N 3.37Å; T218-T221 PolarHBondContact O-N 3.24Å; T218-T221 VanDerWaalsContact O-N 3.1Å; T218-T221 PolarHBondContact O-OG1 3.19Å; T218-E222 PolarHBondContact O-N 3.33Å |
| 219 | F | 88.3 | Confident | 78 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.5 | -30.1 | 179.9 | -75.2 | -66.3 | 0 | 0 | 0 | 113.7 | L128 L158 Y169 Y176 F179 V180 I183 S215 V216 I217 T221 | L128-F219 HydrophobicContact CD1-CE1 4.35Å; L128-F219 HydrophobicContact CD2-CE1 4.43Å; L158-F219 HydrophobicContact CD2-CE2 4.13Å; Y169-F219 HydrophobicContact CE2-CE1 4.38Å; Y176-F219 PolarHBondContact OH-O 3.45Å; F179-F219 HydrophobicContact CE1-CD1 4.1Å; F179-F219 HydrophobicContact CE1-CD2 4.21Å; F179-F219 HydrophobicContact CE1-CE1 4.11Å; F179-F219 HydrophobicContact CE1-CE2 4.25Å; F179-F219 HydrophobicContact CE1-CG 4.17Å; F179-F219 HydrophobicContact CE1-CZ 4.19Å; F179-F219 HydrophobicContact CZ-CE2 4.35Å; F179-F219 HydrophobicContact CZ-CZ 4.34Å; V180-F219 HydrophobicContact CG2-CB 4.1Å; I183-F219 HydrophobicContact CD1-CD2 3.76Å; I183-F219 HydrophobicContact CD1-CE2 4.2Å; I183-F219 HydrophobicContact CD1-CG 4.5Å; S215-F219 WeakPolarHBondContact O-CD2 3.43Å; S215-F219 PolarHBondContact O-N 2.84Å; V216-F219 PolarHBondContact O-N 2.94Å; I217-F219 PolarHBondContact O-N 2.71Å; F219-T221 VanDerWaalsContact C-N 3.29Å |
| 220 | V | 86.7 | Confident | 76.4 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -33.2 | 171.8 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | V180 V216 I217 T218 L235 C238 L242 | V180-V220 HydrophobicContact CG1-CG2 3.62Å; V216-V220 HydrophobicContact CG1-CG2 4.22Å; V216-V220 VanDerWaalsContact O-CG2 3.26Å; V216-V220 WeakPolarHBondContact O-CG2 3.26Å; V216-V220 PolarHBondContact O-N 3.12Å; I217-V220 PolarHBondContact O-N 3.16Å; T218-V220 PolarHBondContact O-N 3.37Å; V220-L235 HydrophobicContact CB-CD1 4.38Å; V220-L235 HydrophobicContact CG1-CD1 3.56Å; V220-C238 HydrophobicContact CG1-CB 3.85Å; V220-L242 HydrophobicContact CG2-CD1 4.28Å |
| 221 | T | 80.5 | Confident | 75.4 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 17% | 0.172 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.1 | -178.6 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | I217 T218 F219 I226 L235 F269 | I217-T221 HydrophobicContact CG2-CG2 4.31Å; I217-T221 VanDerWaalsContact O-CG2 3.25Å; I217-T221 WeakPolarHBondContact O-CG2 3.39Å; I217-T221 PolarHBondContact O-N 3.12Å; I217-T221 PolarHBondContact O-OG1 2.73Å; I217-T221 VanDerWaalsContact O-OG1 3.05Å; T218-T221 PolarHBondContact O-N 3.24Å; T218-T221 VanDerWaalsContact O-N 3.1Å; T218-T221 PolarHBondContact O-OG1 3.19Å; F219-T221 VanDerWaalsContact C-N 3.29Å; T221-I226 WeakPolarHBondContact O-CD1 3.46Å; T221-L235 HydrophobicContact CG2-CD1 3.76Å; T221-L235 HydrophobicContact CG2-CD2 4.29Å; T221-F269 HydrophobicContact CG2-CD1 4.17Å; T221-F269 HydrophobicContact CG2-CE1 3.5Å; T221-F269 VanDerWaalsContact CG2-CE1 3.5Å; T221-F269 HydrophobicContact CG2-CE2 4.08Å; T221-F269 HydrophobicContact CG2-CZ 3.46Å; T221-F269 VanDerWaalsContact CG2-CZ 3.46Å |
| 222 | E | 77.1 | Confident | 74.3 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -66.9 | 149.7 | -179.4 | -82.7 | -69.6 | 143.9 | 0 | 0 | 112.3 | Y169 T218 K224 L225 I226 | Y169-E222 HydrophobicContact CE2-CG 4.4Å; T218-E222 PolarHBondContact O-N 3.33Å; E222-K224 PolarHBondContact O-N 3.45Å; E222-L225 PolarHBondContact O-N 3.26Å; E222-I226 PolarHBondContact O-N 2.92Å |
| 223 | P | 61 | Low | 73.3 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.9 | -173.8 | -23 | 33.6 | 0 | 0 | 0 | 114.7 | L225 I226 S227 | P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 2.69Å; P223-I226 CarbonylContact O-C 3.29Å; P223-I226 VanDerWaalsContact O-C 3.29Å; P223-I226 PolarHBondContact O-N 3.02Å; P223-S227 PolarHBondContact O-N 3.2Å |
| 224 | K | 67 | Low | 72.6 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38.4 | 175.8 | -80.9 | -161.6 | 171.2 | -165.7 | 0 | 112.8 | Y169 I171 E222 | Y169-K224 HydrophobicContact CD2-CD 4.29Å; Y169-K224 VanDerWaalsContact N-CE 3.34Å; Y169-K224 PolarHBondContact O-NZ 3.23Å; I171-K224 PolarHBondContact O-NZ 3.28Å; E222-K224 PolarHBondContact O-N 3.45Å |
| 225 | L | 63.6 | Low | 72 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -25.8 | 176 | -80.4 | 163.7 | 0 | 0 | 0 | 112.2 | Y176 L177 E222 P223 | Y176-L225 HydrophobicContact CD1-CD1 4.06Å; Y176-L225 HydrophobicContact CD1-CG 4.17Å; Y176-L225 HydrophobicContact CE1-CD1 3.53Å; Y176-L225 HydrophobicContact CE1-CG 3.92Å; L177-L225 HydrophobicContact CD2-CD2 3.74Å; E222-L225 PolarHBondContact O-N 3.26Å; P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 2.69Å |
| 226 | I | 58.1 | Low | 71.4 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | trans | -110.9 | 59.6 | -174.2 | -47.2 | -173.9 | 0 | 0 | 0 | 110 | T221 E222 P223 Y228 | T221-I226 WeakPolarHBondContact O-CD1 3.46Å; E222-I226 PolarHBondContact O-N 2.92Å; P223-I226 CarbonylContact O-C 3.29Å; P223-I226 VanDerWaalsContact O-C 3.29Å; P223-I226 PolarHBondContact O-N 3.02Å; I226-Y228 VanDerWaalsContact CG2-O 3.32Å; I226-Y228 WeakPolarHBondContact CG2-O 2.91Å; I226-Y228 PolarHBondContact O-N 3.11Å; I226-Y228 VanDerWaalsContact O-N 3.16Å | ||
| 227 | S | 53.5 | Low | 71 | Confident | 92 Ų | 92 | 54.1 Ų | 54.1 | 64% | 0.643 | 28% | 0.277 | S | S | * | . | trans | -69.2 | -5.4 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | P223 | P223-S227 PolarHBondContact O-N 3.2Š| ||
| 228 | Y | 45.1 | Very low | 70.8 | Confident | 183 Ų | 183 | 55.3 Ų | 55.3 | 72% | 0.718 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -130.2 | 137.3 | 174 | -71.5 | -88.2 | 0 | 0 | 0 | 109.3 | I226 F230 | I226-Y228 VanDerWaalsContact CG2-O 3.32Å; I226-Y228 WeakPolarHBondContact CG2-O 2.91Å; I226-Y228 PolarHBondContact O-N 3.11Å; I226-Y228 VanDerWaalsContact O-N 3.16Å; Y228-F230 PolarHBondContact O-N 3.46Å |
| 229 | Q | 49.7 | Very low | 70.7 | Confident | 194 Ų | 194 | 53.4 Ų | 53.4 | 91% | 0.907 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -13.9 | 118.7 | 175.8 | -79.6 | 174.6 | -35.8 | 0 | 0 | 113.7 | N231 | Q229-N231 VanDerWaalsContact C-N 3.34Å; Q229-N231 PolarHBondContact O-N 3.35Å |
| 230 | F | 55.1 | Low | 70.6 | Confident | 102 Ų | 102 | 53.5 Ų | 53.5 | 45% | 0.447 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -10.4 | 83 | 177.8 | -164 | -91.3 | 0 | 0 | 0 | 114 | Y228 T232 F269 L275 | Y228-F230 PolarHBondContact O-N 3.46Å; F230-T232 HydrophobicContact CD1-CG2 4.06Å; F230-T232 HydrophobicContact CE1-CG2 3.75Å; F230-T232 PolarHBondContact O-N 3.13Å; F230-F269 AromaticContact CE2-CE1 3.5Å; F230-F269 HydrophobicContact CE2-CE1 3.5Å; F230-F269 VanDerWaalsContact CE2-CE1 3.5Å; F230-F269 AromaticContact CE2-CZ 3.76Å; F230-F269 HydrophobicContact CE2-CZ 3.76Å; F230-F269 HydrophobicContact CZ-CD1 4.28Å; F230-F269 AromaticContact CZ-CE1 3.45Å; F230-F269 HydrophobicContact CZ-CE1 3.45Å; F230-F269 VanDerWaalsContact CZ-CE1 3.45Å; F230-F269 HydrophobicContact CZ-CZ 4.16Å; F230-L275 HydrophobicContact CE1-CD1 4.33Å; F230-L275 HydrophobicContact CE1-CD2 3.96Å; F230-L275 HydrophobicContact CZ-CD2 4.47Å |
| 231 | N | 64.8 | Low | 70.7 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -95.3 | 100.3 | -177.1 | -167.9 | -12 | 0 | 0 | 0 | 107.9 | Q229 C233 I234 | Q229-N231 VanDerWaalsContact C-N 3.34Å; Q229-N231 PolarHBondContact O-N 3.35Å; N231-C233 PolarHBondContact O-N 2.83Å; N231-C233 WeakPolarHBondContact OD1-CB 3.44Å; N231-C233 PolarHBondContact OD1-N 3.41Å; N231-C233 VanDerWaalsContact OD1-N 3.11Å; N231-I234 HydrophobicContact CB-CD1 4.05Å; N231-I234 HydrophobicContact CB-CG1 4.12Å; N231-I234 PolarHBondContact O-N 3.01Å | ||
| 232 | T | 68.9 | Low | 71 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.3 | -23.4 | 176.4 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | F230 T236 L275 E278 R282 | F230-T232 HydrophobicContact CD1-CG2 4.06Å; F230-T232 HydrophobicContact CE1-CG2 3.75Å; F230-T232 PolarHBondContact O-N 3.13Å; T232-T236 WeakPolarHBondContact O-CB 3.37Å; T232-T236 WeakPolarHBondContact O-CG2 3.27Å; T232-T236 PolarHBondContact O-N 2.64Å; T232-T236 VanDerWaalsContact O-N 3.12Å; T232-T236 PolarHBondContact O-OG1 3.44Å; T232-L275 HydrophobicContact CG2-CD1 3.29Å; T232-L275 HydrophobicContact CG2-CG 4.02Å; T232-E278 PolarHBondContact OG1-OE2 3.48Å; T232-E278 VanDerWaalsContact OG1-OE2 3.06Å; T232-R282 VanDerWaalsContact OG1-CZ 3.3Å; T232-R282 PolarHBondContact OG1-NH1 2.87Å; T232-R282 PolarHBondContact OG1-NH2 3.19Å |
| 233 | C | 73 | Confident | 71.4 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 173.2 | -165.8 | 0 | 0 | 0 | 0 | 113.3 | N231 T236 E237 | N231-C233 PolarHBondContact O-N 2.83Å; N231-C233 WeakPolarHBondContact OD1-CB 3.44Å; N231-C233 PolarHBondContact OD1-N 3.41Å; N231-C233 VanDerWaalsContact OD1-N 3.11Å; C233-T236 WeakPolarHBondContact CA-OG1 3.26Å; C233-T236 PolarHBondContact O-OG1 3.35Å; C233-E237 WeakPolarHBondContact O-CB 3.26Å; C233-E237 PolarHBondContact O-N 3.11Å |
| 234 | I | 76.2 | Confident | 72.4 | Confident | 53 Ų | 53 | 52 Ų | 52 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -45 | -176.7 | -61.8 | 175 | 0 | 0 | 0 | 109.8 | N231 T236 E237 C238 | N231-I234 HydrophobicContact CB-CD1 4.05Å; N231-I234 HydrophobicContact CB-CG1 4.12Å; N231-I234 PolarHBondContact O-N 3.01Å; I234-T236 PolarHBondContact O-N 3.08Å; I234-E237 PolarHBondContact O-N 3.46Å; I234-C238 WeakPolarHBondContact O-CB 3.48Å; I234-C238 PolarHBondContact O-N 3.26Å; I234-C238 PolarHBondContact O-SG 3.5Å; I234-C238 VanDerWaalsContact O-SG 3.41Å |
| 235 | L | 80 | Confident | 72.9 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 176.5 | 177 | 60.8 | 0 | 0 | 0 | 111.5 | V220 T221 E237 C238 V239 L266 F269 | V220-L235 HydrophobicContact CB-CD1 4.38Å; V220-L235 HydrophobicContact CG1-CD1 3.56Å; T221-L235 HydrophobicContact CG2-CD1 3.76Å; T221-L235 HydrophobicContact CG2-CD2 4.29Å; L235-E237 PolarHBondContact O-N 3.17Å; L235-C238 PolarHBondContact O-N 3.18Å; L235-V239 HydrophobicContact CD1-CG2 4.14Å; L235-V239 WeakPolarHBondContact O-CG2 3.37Å; L235-V239 PolarHBondContact O-N 2.84Å; L235-L266 HydrophobicContact CD1-CD1 4.25Å; L235-L266 HydrophobicContact CD2-CD1 3.7Å; L235-L266 HydrophobicContact CG-CD1 3.92Å; L235-F269 HydrophobicContact CD2-CD1 4.18Å; L235-F269 HydrophobicContact CD2-CE1 4.13Å |
| 236 | T | 80.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 179.3 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | T232 C233 I234 T240 T279 R282 Q286 | T232-T236 WeakPolarHBondContact O-CB 3.37Å; T232-T236 WeakPolarHBondContact O-CG2 3.27Å; T232-T236 PolarHBondContact O-N 2.64Å; T232-T236 VanDerWaalsContact O-N 3.12Å; T232-T236 PolarHBondContact O-OG1 3.44Å; C233-T236 WeakPolarHBondContact CA-OG1 3.26Å; C233-T236 PolarHBondContact O-OG1 3.35Å; I234-T236 PolarHBondContact O-N 3.08Å; T236-T240 VanDerWaalsContact O-CB 3.24Å; T236-T240 WeakPolarHBondContact O-CB 3.45Å; T236-T240 PolarHBondContact O-N 2.75Å; T236-T240 PolarHBondContact O-OG1 3.48Å; T236-T279 HydrophobicContact CG2-CG2 3.6Å; T236-R282 HydrophobicContact CG2-CB 4.48Å; T236-Q286 PolarHBondContact O-OE1 3.17Å |
| 237 | E | 84.7 | Confident | 74.6 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 178 | -175.6 | 158.8 | -149.7 | 0 | 0 | 112.3 | C233 I234 L235 T240 S241 R290 | C233-E237 WeakPolarHBondContact O-CB 3.26Å; C233-E237 PolarHBondContact O-N 3.11Å; I234-E237 PolarHBondContact O-N 3.46Å; L235-E237 PolarHBondContact O-N 3.17Å; E237-T240 PolarHBondContact O-N 2.87Å; E237-S241 WeakPolarHBondContact O-CB 3.17Å; E237-S241 PolarHBondContact O-N 3.46Å; E237-R290 IonicContact OE1-CZ 3.85Å; E237-R290 VanDerWaalsContact OE1-CZ 3.3Å; E237-R290 IonicContact OE1-NH1 3.08Å; E237-R290 PolarHBondContact OE1-NH1 3.31Å; E237-R290 IonicContact OE1-NH2 3.42Å; E237-R290 PolarHBondContact OE1-NH2 2.63Å |
| 238 | C | 84.4 | Confident | 75.7 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 175.9 | -72.1 | 0 | 0 | 0 | 0 | 111.8 | V220 I234 L235 T240 S241 L242 | V220-C238 HydrophobicContact CG1-CB 3.85Å; I234-C238 WeakPolarHBondContact O-CB 3.48Å; I234-C238 PolarHBondContact O-N 3.26Å; I234-C238 PolarHBondContact O-SG 3.5Å; I234-C238 VanDerWaalsContact O-SG 3.41Å; L235-C238 PolarHBondContact O-N 3.18Å; C238-T240 VanDerWaalsContact C-N 3.35Å; C238-T240 PolarHBondContact O-N 3.31Å; C238-S241 WeakPolarHBondContact O-CB 3.42Å; C238-S241 PolarHBondContact O-N 2.94Å; C238-L242 WeakPolarHBondContact O-CG 3.43Å; C238-L242 PolarHBondContact O-N 2.81Å |
| 239 | V | 87.4 | Confident | 77 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 111 | I217 L235 L242 V243 M262 L266 F283 | I217-V239 HydrophobicContact CD1-CG2 4.05Å; L235-V239 HydrophobicContact CD1-CG2 4.14Å; L235-V239 WeakPolarHBondContact O-CG2 3.37Å; L235-V239 PolarHBondContact O-N 2.84Å; V239-L242 PolarHBondContact O-N 3.09Å; V239-V243 HydrophobicContact CG1-CG2 4.15Å; V239-V243 WeakPolarHBondContact O-CB 3.34Å; V239-V243 WeakPolarHBondContact O-CG2 3.21Å; V239-V243 PolarHBondContact O-N 3.49Å; V239-M262 HydrophobicContact CG1-CE 4.16Å; V239-M262 HydrophobicContact CG2-CE 4.38Å; V239-L266 HydrophobicContact CG1-CD2 4.38Å; V239-F283 HydrophobicContact CG1-CE2 4.22Å |
| 240 | T | 86.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 174.2 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | T236 E237 C238 L242 V243 Q244 F283 Q286 L287 | T236-T240 VanDerWaalsContact O-CB 3.24Å; T236-T240 WeakPolarHBondContact O-CB 3.45Å; T236-T240 PolarHBondContact O-N 2.75Å; T236-T240 PolarHBondContact O-OG1 3.48Å; E237-T240 PolarHBondContact O-N 2.87Å; C238-T240 VanDerWaalsContact C-N 3.35Å; C238-T240 PolarHBondContact O-N 3.31Å; T240-L242 VanDerWaalsContact C-N 3.35Å; T240-L242 PolarHBondContact O-N 2.85Å; T240-V243 PolarHBondContact O-N 3.47Å; T240-Q244 VanDerWaalsContact O-CB 3.25Å; T240-Q244 WeakPolarHBondContact O-CB 3.36Å; T240-Q244 PolarHBondContact O-N 2.68Å; T240-F283 WeakPolarHBondContact OG1-CD2 3.5Å; T240-F283 WeakPolarHBondContact OG1-CE2 3.21Å; T240-Q286 HydrophobicContact CG2-CB 4.15Å; T240-Q286 PolarHBondContact OG1-OE1 2.96Å; T240-L287 HydrophobicContact CG2-CB 4.42Å |
| 241 | S | 87.2 | Confident | 77.8 | Confident | 62 Ų | 62 | 37.9 Ų | 37.9 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 179 | -171.7 | 0 | 0 | 0 | 0 | 112.9 | E237 C238 Q244 | E237-S241 WeakPolarHBondContact O-CB 3.17Å; E237-S241 PolarHBondContact O-N 3.46Å; C238-S241 WeakPolarHBondContact O-CB 3.42Å; C238-S241 PolarHBondContact O-N 2.94Å; S241-Q244 WeakPolarHBondContact O-CG 3.5Å; S241-Q244 PolarHBondContact O-NE2 3.45Å |
| 242 | L | 87.7 | Confident | 77.3 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | 176.7 | -69.7 | 170.2 | 0 | 0 | 0 | 111.4 | V180 F184 V216 V220 C238 V239 T240 | V180-L242 HydrophobicContact CG1-CD1 3.98Å; F184-L242 HydrophobicContact CB-CD2 4.1Å; F184-L242 HydrophobicContact CD1-CB 4.14Å; F184-L242 HydrophobicContact CD1-CD2 4.38Å; F184-L242 HydrophobicContact CD2-CB 4.4Å; F184-L242 HydrophobicContact CE1-CB 4.36Å; F184-L242 WeakPolarHBondContact CE1-O 3.5Å; F184-L242 HydrophobicContact CG-CB 4.16Å; F184-L242 HydrophobicContact CG-CD2 4.33Å; F184-L242 WeakPolarHBondContact CZ-O 3.5Å; V216-L242 HydrophobicContact CG1-CD1 3.89Å; V220-L242 HydrophobicContact CG2-CD1 4.28Å; C238-L242 WeakPolarHBondContact O-CG 3.43Å; C238-L242 PolarHBondContact O-N 2.81Å; V239-L242 PolarHBondContact O-N 3.09Å; T240-L242 VanDerWaalsContact C-N 3.35Å; T240-L242 PolarHBondContact O-N 2.85Å |
| 243 | V | 85.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -86.2 | -19.4 | -167 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | F184 V239 T240 D245 V246 L247 V259 M262 | F184-V243 HydrophobicContact CE2-CG2 3.92Å; F184-V243 HydrophobicContact CZ-CB 4.47Å; F184-V243 HydrophobicContact CZ-CG2 4.04Å; V239-V243 HydrophobicContact CG1-CG2 4.15Å; V239-V243 WeakPolarHBondContact O-CB 3.34Å; V239-V243 WeakPolarHBondContact O-CG2 3.21Å; V239-V243 PolarHBondContact O-N 3.49Å; T240-V243 PolarHBondContact O-N 3.47Å; V243-D245 PolarHBondContact O-N 2.98Å; V243-V246 PolarHBondContact O-N 2.93Å; V243-L247 HydrophobicContact CG1-CD1 3.64Å; V243-L247 HydrophobicContact CG1-CG 3.82Å; V243-L247 WeakPolarHBondContact O-CB 3.28Å; V243-L247 WeakPolarHBondContact O-CG 3.15Å; V243-L247 PolarHBondContact O-N 3.3Å; V243-V259 HydrophobicContact CG1-CB 4Å; V243-V259 HydrophobicContact CG1-CG1 3.69Å; V243-V259 HydrophobicContact CG1-CG2 3.69Å; V243-M262 HydrophobicContact CG2-CB 4.26Å; V243-M262 HydrophobicContact CG2-CG 4.28Å |
| 244 | Q | 81.9 | Confident | 76.3 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | -174.6 | 73.1 | -161.3 | 7.4 | 0 | 0 | 113.3 | T240 S241 V246 L247 V248 L287 H291 | T240-Q244 VanDerWaalsContact O-CB 3.25Å; T240-Q244 WeakPolarHBondContact O-CB 3.36Å; T240-Q244 PolarHBondContact O-N 2.68Å; S241-Q244 WeakPolarHBondContact O-CG 3.5Å; S241-Q244 PolarHBondContact O-NE2 3.45Å; Q244-V246 VanDerWaalsContact C-N 3.28Å; Q244-V246 PolarHBondContact O-N 3.24Å; Q244-L247 PolarHBondContact O-N 3.4Å; Q244-V248 WeakPolarHBondContact O-CB 3.42Å; Q244-V248 VanDerWaalsContact O-CG2 3.31Å; Q244-V248 WeakPolarHBondContact O-CG2 3.34Å; Q244-V248 PolarHBondContact O-N 3Å; Q244-L287 HydrophobicContact CB-CD1 4.46Å; Q244-H291 PolarHBondContact OE1-CE1 2.94Å; Q244-H291 PolarHBondContact OE1-NE2 2.95Å |
| 245 | D | 78.2 | Confident | 76 | Confident | 111 Ų | 111 | 39.5 Ų | 39.5 | 59% | 0.594 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.1 | -36.5 | -175.2 | -70 | -17.8 | 0 | 0 | 0 | 110.2 | V243 S249 | V243-D245 PolarHBondContact O-N 2.98Å; D245-S249 WeakPolarHBondContact O-CB 3.49Å; D245-S249 PolarHBondContact O-N 2.9Å |
| 246 | V | 80 | Confident | 75.8 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.5 | -37.2 | 176 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | F184 V188 V243 Q244 H255 V259 R304 | F184-V246 HydrophobicContact CE1-CB 4.48Å; F184-V246 HydrophobicContact CE1-CG2 3.51Å; F184-V246 HydrophobicContact CZ-CB 4.23Å; F184-V246 HydrophobicContact CZ-CG2 3.66Å; V188-V246 HydrophobicContact CG1-CG2 4.32Å; V188-V246 HydrophobicContact CG2-CG1 4.4Å; V188-V246 HydrophobicContact CG2-CG2 3.49Å; V188-V246 VanDerWaalsContact CG2-CG2 3.49Å; V243-V246 PolarHBondContact O-N 2.93Å; Q244-V246 VanDerWaalsContact C-N 3.28Å; Q244-V246 PolarHBondContact O-N 3.24Å; V246-H255 HydrophobicContact CG1-CB 3.59Å; V246-V259 HydrophobicContact CG1-CG2 4.06Å; V246-R304 PolarHBondContact O-NH1 3.4Å; V246-R304 VanDerWaalsContact O-NH1 3.08Å |
| 247 | L | 77.3 | Confident | 75.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.3 | -30.2 | 178.2 | -85.3 | 174.3 | 0 | 0 | 0 | 114 | V243 Q244 V259 F283 L287 V301 R304 | V243-L247 HydrophobicContact CG1-CD1 3.64Å; V243-L247 HydrophobicContact CG1-CG 3.82Å; V243-L247 WeakPolarHBondContact O-CB 3.28Å; V243-L247 WeakPolarHBondContact O-CG 3.15Å; V243-L247 PolarHBondContact O-N 3.3Å; Q244-L247 PolarHBondContact O-N 3.4Å; L247-V259 HydrophobicContact CD1-CG1 4.11Å; L247-V259 HydrophobicContact CD2-CB 4.26Å; L247-V259 HydrophobicContact CD2-CG1 3.72Å; L247-V259 HydrophobicContact CD2-CG2 3.65Å; L247-V259 HydrophobicContact CG-CG1 4.03Å; L247-V259 HydrophobicContact CG-CG2 3.75Å; L247-F283 HydrophobicContact CD1-CZ 4.36Å; L247-L287 HydrophobicContact CD1-CD1 4.32Å; L247-L287 HydrophobicContact CD1-CD2 3.72Å; L247-V301 HydrophobicContact CD2-CG1 4.46Å; L247-V301 WeakPolarHBondContact O-CG2 3.37Å; L247-R304 HydrophobicContact CD2-CB 4.42Å; L247-R304 PolarHBondContact O-NH1 3.28Å |
| 248 | V | 75.7 | Confident | 75.7 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -99.1 | -30.2 | -174.3 | 173.3 | 0 | 0 | 0 | 0 | 112.5 | Q244 S250 H291 T297 V301 | Q244-V248 WeakPolarHBondContact O-CB 3.42Å; Q244-V248 VanDerWaalsContact O-CG2 3.31Å; Q244-V248 WeakPolarHBondContact O-CG2 3.34Å; Q244-V248 PolarHBondContact O-N 3Å; V248-S250 PolarHBondContact O-N 3.07Å; V248-H291 HydrophobicContact CG2-CB 4.11Å; V248-T297 HydrophobicContact CB-CG2 4.46Å; V248-T297 HydrophobicContact CG1-CG2 3.78Å; V248-T297 HydrophobicContact CG2-CG2 4.21Å; V248-V301 HydrophobicContact CG2-CG2 4.38Å |
| 249 | S | 72.5 | Confident | 75.6 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | trans | -57 | 134.7 | -176.6 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | D245 S251 R304 | D245-S249 WeakPolarHBondContact O-CB 3.49Å; D245-S249 PolarHBondContact O-N 2.9Å; S249-S251 PolarHBondContact O-N 2.89Å; S249-S251 PolarHBondContact OG-N 3.36Å; S249-S251 PolarHBondContact OG-OG 2.8Å; S249-R304 PolarHBondContact O-NH1 3.38Å; S249-R304 PolarHBondContact O-NH2 3.27Å | ||
| 250 | S | 58.1 | Low | 75.2 | Confident | 118 Ų | 118 | 35.5 Ų | 35.5 | 83% | 0.825 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -7.4 | 179.4 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | V248 | V248-S250 PolarHBondContact O-N 3.07Š|
| 251 | S | 62.7 | Low | 75 | Confident | 68 Ų | 68 | 35.4 Ų | 35.4 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.4 | -161.6 | 43.7 | 0 | 0 | 0 | 0 | 116.6 | S249 | S249-S251 PolarHBondContact O-N 2.89Å; S249-S251 PolarHBondContact OG-N 3.36Å; S249-S251 PolarHBondContact OG-OG 2.8Å |
| 252 | Y | 55.7 | Low | 74.9 | Confident | 118 Ų | 118 | 32.5 Ų | 32.5 | 46% | 0.463 | 18% | 0.183 | S | C | . | . | trans | -150.4 | 114.8 | -173.3 | -59 | -81.3 | 0 | 0 | 0 | 114.7 | C254 H255 R304 | Y252-C254 VanDerWaalsContact C-N 3.29Å; Y252-C254 PolarHBondContact O-N 3.35Å; Y252-H255 VanDerWaalsContact CB-CD2 3.43Å; Y252-H255 WeakPolarHBondContact CB-CD2 3.02Å; Y252-H255 VanDerWaalsContact CB-CE1 3.45Å; Y252-H255 WeakPolarHBondContact CB-CE1 3.18Å; Y252-H255 VanDerWaalsContact CB-NE2 3.34Å; Y252-H255 WeakPolarHBondContact CB-NE2 3.33Å; Y252-H255 AromaticContact CD2-CE1 3.15Å; Y252-H255 WeakPolarHBondContact CD2-CE1 3Å; Y252-H255 AromaticContact CD2-ND1 3.96Å; Y252-H255 AromaticContact CD2-NE2 3.45Å; Y252-H255 WeakPolarHBondContact CD2-NE2 3.47Å; Y252-H255 AromaticContact CG-CD2 3.99Å; Y252-H255 AromaticContact CG-CE1 3.49Å; Y252-H255 VanDerWaalsContact CG-CE1 3.49Å; Y252-H255 AromaticContact CG-NE2 3.36Å; Y252-R304 PolarHBondContact O-NH2 2.9Å | ||
| 253 | D | 58.9 | Low | 74.6 | Confident | 70 Ų | 70 | 31.3 Ų | 31.3 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -69.1 | -22.4 | 176 | -92 | -11.3 | 0 | 0 | 0 | 113 | Y256 R303 | D253-Y256 WeakPolarHBondContact O-CD1 3.43Å; D253-R303 IonicContact OD1-CZ 3.15Å; D253-R303 IonicContact OD1-NH1 2.78Å; D253-R303 IonicContact OD1-NH2 2.73Å; D253-R303 IonicContact OD2-CZ 2.73Å; D253-R303 IonicContact OD2-NH1 3.27Å; D253-R303 IonicContact OD2-NH2 3.94Å; D253-R303 PolarHBondContact OD2-NH2 3.06Å |
| 254 | C | 61.3 | Low | 74.4 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -85 | -7.4 | -176.3 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | Y252 Y256 I257 | Y252-C254 VanDerWaalsContact C-N 3.29Å; Y252-C254 PolarHBondContact O-N 3.35Å; C254-Y256 PolarHBondContact O-N 2.67Å; C254-I257 PolarHBondContact O-N 3.23Å |
| 255 | H | 70.9 | Confident | 74.5 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -65.1 | -13 | -176.7 | -82.1 | -172.4 | 0 | 0 | 0 | 115 | V246 Y252 I257 S258 V259 | V246-H255 HydrophobicContact CG1-CB 3.59Å; Y252-H255 VanDerWaalsContact CB-CD2 3.43Å; Y252-H255 WeakPolarHBondContact CB-CD2 3.02Å; Y252-H255 VanDerWaalsContact CB-CE1 3.45Å; Y252-H255 WeakPolarHBondContact CB-CE1 3.18Å; Y252-H255 VanDerWaalsContact CB-NE2 3.34Å; Y252-H255 WeakPolarHBondContact CB-NE2 3.33Å; Y252-H255 AromaticContact CD2-CE1 3.15Å; Y252-H255 WeakPolarHBondContact CD2-CE1 3Å; Y252-H255 AromaticContact CD2-ND1 3.96Å; Y252-H255 AromaticContact CD2-NE2 3.45Å; Y252-H255 WeakPolarHBondContact CD2-NE2 3.47Å; Y252-H255 AromaticContact CG-CD2 3.99Å; Y252-H255 AromaticContact CG-CE1 3.49Å; Y252-H255 VanDerWaalsContact CG-CE1 3.49Å; Y252-H255 AromaticContact CG-NE2 3.36Å; H255-I257 PolarHBondContact O-N 3.47Å; H255-I257 VanDerWaalsContact O-N 3.12Å; H255-S258 PolarHBondContact O-N 3.04Å; H255-V259 WeakPolarHBondContact O-CG2 3.43Å; H255-V259 PolarHBondContact O-N 3.39Å |
| 256 | Y | 75.2 | Confident | 74.8 | Confident | 19 Ų | 19 | 25.4 Ų | 25.4 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.9 | -25 | 174.4 | 74.6 | -89.3 | 0 | 0 | 0 | 112.4 | D253 C254 V259 A260 L307 T310 | D253-Y256 WeakPolarHBondContact O-CD1 3.43Å; C254-Y256 PolarHBondContact O-N 2.67Å; Y256-V259 PolarHBondContact O-N 2.82Å; Y256-A260 WeakPolarHBondContact O-CA 3.34Å; Y256-A260 WeakPolarHBondContact O-CB 3.46Å; Y256-A260 PolarHBondContact O-N 3.35Å; Y256-L307 HydrophobicContact CD1-CB 3.78Å; Y256-L307 HydrophobicContact CD1-CD1 3.98Å; Y256-L307 HydrophobicContact CD2-CB 4.13Å; Y256-L307 HydrophobicContact CE1-CB 4.16Å; Y256-L307 HydrophobicContact CE1-CD1 4.33Å; Y256-L307 HydrophobicContact CE2-CB 4.48Å; Y256-L307 WeakPolarHBondContact CE2-O 3.45Å; Y256-L307 HydrophobicContact CG-CB 3.78Å; Y256-T310 WeakPolarHBondContact CE2-OG1 3.4Å; Y256-T310 PolarHBondContact OH-OG1 3.44Å |
| 257 | I | 80 | Confident | 74.8 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.7 | -70.6 | 176.3 | 0 | 0 | 0 | 111.8 | S191 F194 V209 C254 H255 A260 S261 W311 | S191-I257 WeakPolarHBondContact OG-CG2 3.18Å; F194-I257 HydrophobicContact CB-CD1 3.76Å; F194-I257 HydrophobicContact CD2-CD1 3.41Å; F194-I257 VanDerWaalsContact CD2-CD1 3.41Å; F194-I257 HydrophobicContact CD2-CG2 4.24Å; F194-I257 HydrophobicContact CE2-CD1 4.29Å; F194-I257 HydrophobicContact CE2-CG2 4.22Å; F194-I257 HydrophobicContact CG-CD1 3.81Å; V209-I257 HydrophobicContact CG1-CG2 3.79Å; V209-I257 HydrophobicContact CG2-CG2 4.23Å; C254-I257 PolarHBondContact O-N 3.23Å; H255-I257 PolarHBondContact O-N 3.47Å; H255-I257 VanDerWaalsContact O-N 3.12Å; I257-A260 PolarHBondContact O-N 2.98Å; I257-S261 WeakPolarHBondContact O-CB 3.19Å; I257-S261 PolarHBondContact O-N 3.32Å; I257-S261 PolarHBondContact O-OG 2.87Å; I257-W311 HydrophobicContact CB-CZ3 4Å; I257-W311 HydrophobicContact CG1-CE3 4.41Å; I257-W311 HydrophobicContact CG1-CZ3 3.98Å; I257-W311 HydrophobicContact CG2-CH2 3.98Å; I257-W311 HydrophobicContact CG2-CZ3 3.57Å |
| 258 | S | 82.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | L187 V188 S191 H255 A260 S261 M262 | L187-S258 PolarHBondContact O-OG 3.19Å; V188-S258 WeakPolarHBondContact CA-OG 3.45Å; S191-S258 WeakPolarHBondContact CB-OG 3.46Å; S191-S258 PolarHBondContact OG-N 3.02Å; S191-S258 PolarHBondContact OG-OG 2.74Å; H255-S258 PolarHBondContact O-N 3.04Å; S258-A260 VanDerWaalsContact C-N 3.3Å; S258-A260 PolarHBondContact O-N 2.89Å; S258-S261 PolarHBondContact O-OG 2.94Å; S258-M262 WeakPolarHBondContact O-CB 3.3Å; S258-M262 VanDerWaalsContact O-CG 3.24Å; S258-M262 WeakPolarHBondContact O-CG 3.47Å; S258-M262 PolarHBondContact O-N 2.81Å |
| 259 | V | 80.8 | Confident | 75.1 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 176.1 | -176 | 0 | 0 | 0 | 0 | 109.7 | V243 V246 L247 H255 Y256 S261 M262 L263 | V243-V259 HydrophobicContact CG1-CB 4Å; V243-V259 HydrophobicContact CG1-CG1 3.69Å; V243-V259 HydrophobicContact CG1-CG2 3.69Å; V246-V259 HydrophobicContact CG1-CG2 4.06Å; L247-V259 HydrophobicContact CD1-CG1 4.11Å; L247-V259 HydrophobicContact CD2-CB 4.26Å; L247-V259 HydrophobicContact CD2-CG1 3.72Å; L247-V259 HydrophobicContact CD2-CG2 3.65Å; L247-V259 HydrophobicContact CG-CG1 4.03Å; L247-V259 HydrophobicContact CG-CG2 3.75Å; H255-V259 WeakPolarHBondContact O-CG2 3.43Å; H255-V259 PolarHBondContact O-N 3.39Å; Y256-V259 PolarHBondContact O-N 2.82Å; V259-S261 PolarHBondContact O-N 2.86Å; V259-M262 PolarHBondContact O-N 2.8Å; V259-L263 HydrophobicContact CG1-CD1 3.75Å; V259-L263 HydrophobicContact CG1-CG 4.31Å; V259-L263 WeakPolarHBondContact O-CB 3.36Å; V259-L263 WeakPolarHBondContact O-CG 3.27Å; V259-L263 PolarHBondContact O-N 2.89Å |
| 260 | A | 79.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y256 I257 S258 S264 W308 W311 | Y256-A260 WeakPolarHBondContact O-CA 3.34Å; Y256-A260 WeakPolarHBondContact O-CB 3.46Å; Y256-A260 PolarHBondContact O-N 3.35Å; I257-A260 PolarHBondContact O-N 2.98Å; S258-A260 VanDerWaalsContact C-N 3.3Å; S258-A260 PolarHBondContact O-N 2.89Å; A260-S264 WeakPolarHBondContact O-CB 3.28Å; A260-S264 PolarHBondContact O-N 3.24Å; A260-W308 HydrophobicContact CB-CD2 4.46Å; A260-W308 HydrophobicContact CB-CG 3.9Å; A260-W308 PolarHBondContact O-NE1 2.73Å; A260-W311 HydrophobicContact CB-CB 4.35Å; A260-W311 HydrophobicContact CB-CD2 3.98Å; A260-W311 HydrophobicContact CB-CE3 4.03Å; A260-W311 HydrophobicContact CB-CG 4.15Å |
| 261 | S | 83.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | V209 I257 S258 V259 S264 E265 | V209-S261 WeakPolarHBondContact CG1-OG 3.36Å; I257-S261 WeakPolarHBondContact O-CB 3.19Å; I257-S261 PolarHBondContact O-N 3.32Å; I257-S261 PolarHBondContact O-OG 2.87Å; S258-S261 PolarHBondContact O-OG 2.94Å; V259-S261 PolarHBondContact O-N 2.86Å; S261-S264 PolarHBondContact O-N 3.3Å; S261-E265 WeakPolarHBondContact O-CG 3.39Å; S261-E265 PolarHBondContact O-N 2.77Å |
| 262 | M | 85.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -51.3 | 175.8 | -79.7 | -60.6 | -61.6 | 0 | 0 | 112.7 | F184 L187 A213 V216 I217 V239 V243 S258 V259 E265 L266 | F184-M262 HydrophobicContact CD2-CG 4.11Å; F184-M262 HydrophobicContact CD2-SD 4.29Å; F184-M262 HydrophobicContact CE2-CG 3.85Å; L187-M262 HydrophobicContact CD2-CG 3.8Å; L187-M262 HydrophobicContact CD2-SD 4.12Å; A213-M262 HydrophobicContact CB-SD 4.19Å; V216-M262 HydrophobicContact CB-CE 4.02Å; V216-M262 HydrophobicContact CB-SD 3.65Å; V216-M262 HydrophobicContact CG1-CE 3.49Å; V216-M262 VanDerWaalsContact CG1-CE 3.49Å; V216-M262 HydrophobicContact CG1-SD 3.72Å; V216-M262 HydrophobicContact CG2-SD 4.1Å; I217-M262 HydrophobicContact CD1-CE 3.5Å; I217-M262 VanDerWaalsContact CD1-CE 3.5Å; I217-M262 HydrophobicContact CD1-SD 4.46Å; I217-M262 HydrophobicContact CG1-CE 4.14Å; V239-M262 HydrophobicContact CG1-CE 4.16Å; V239-M262 HydrophobicContact CG2-CE 4.38Å; V243-M262 HydrophobicContact CG2-CB 4.26Å; V243-M262 HydrophobicContact CG2-CG 4.28Å; S258-M262 WeakPolarHBondContact O-CB 3.3Å; S258-M262 VanDerWaalsContact O-CG 3.24Å; S258-M262 WeakPolarHBondContact O-CG 3.47Å; S258-M262 PolarHBondContact O-N 2.81Å; V259-M262 PolarHBondContact O-N 2.8Å; M262-E265 PolarHBondContact O-N 2.86Å; M262-L266 WeakPolarHBondContact O-CB 3.32Å; M262-L266 PolarHBondContact O-N 3.17Å |
| 263 | L | 81.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.1 | -31 | -178 | -66.8 | 178.9 | 0 | 0 | 0 | 112.2 | V259 L266 Q267 F283 W308 W324 | V259-L263 HydrophobicContact CG1-CD1 3.75Å; V259-L263 HydrophobicContact CG1-CG 4.31Å; V259-L263 WeakPolarHBondContact O-CB 3.36Å; V259-L263 WeakPolarHBondContact O-CG 3.27Å; V259-L263 PolarHBondContact O-N 2.89Å; L263-L266 HydrophobicContact CD2-CD2 4.21Å; L263-Q267 WeakPolarHBondContact O-CB 3.23Å; L263-Q267 PolarHBondContact O-N 3.16Å; L263-F283 HydrophobicContact CD1-CE1 4.44Å; L263-F283 HydrophobicContact CD1-CZ 4.47Å; L263-F283 HydrophobicContact CD2-CD2 4.33Å; L263-F283 HydrophobicContact CD2-CE1 4.3Å; L263-F283 HydrophobicContact CD2-CE2 3.94Å; L263-F283 HydrophobicContact CD2-CZ 3.93Å; L263-W308 HydrophobicContact CB-CH2 3.27Å; L263-W308 HydrophobicContact CB-CZ2 3.3Å; L263-W308 HydrophobicContact CB-CZ3 4.32Å; L263-W308 HydrophobicContact CD1-CE3 4.32Å; L263-W308 HydrophobicContact CD1-CH2 3.23Å; L263-W308 HydrophobicContact CD1-CZ2 3.94Å; L263-W308 HydrophobicContact CD1-CZ3 3.43Å; L263-W308 VanDerWaalsContact CD1-CZ3 3.43Å; L263-W308 HydrophobicContact CG-CH2 3.87Å; L263-W308 HydrophobicContact CG-CZ2 4.24Å; L263-W324 HydrophobicContact CD2-CH2 4.05Å; L263-W324 HydrophobicContact CD2-CZ2 4.32Å; L263-W324 HydrophobicContact CD2-CZ3 4.26Å |
| 264 | S | 81.4 | Confident | 78.2 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 172.5 | -175 | 0 | 0 | 0 | 0 | 111.8 | A260 S261 Q267 K268 | A260-S264 WeakPolarHBondContact O-CB 3.28Å; A260-S264 PolarHBondContact O-N 3.24Å; S261-S264 PolarHBondContact O-N 3.3Å; S264-Q267 PolarHBondContact O-N 3.44Å; S264-K268 WeakPolarHBondContact O-CG 3.34Å; S264-K268 PolarHBondContact O-N 3.18Å |
| 265 | E | 84.7 | Confident | 79.1 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.5 | -36.6 | 176.6 | -67.5 | -62.9 | 135.3 | 0 | 0 | 111.8 | A213 R214 I217 S261 M262 Q267 K268 F269 | A213-E265 HydrophobicContact CB-CG 4.17Å; R214-E265 HydrophobicContact CB-CG 4.18Å; R214-E265 WeakPolarHBondContact CB-OE2 3.49Å; R214-E265 WeakPolarHBondContact CG-OE2 3.45Å; R214-E265 IonicContact CZ-OE1 2.71Å; R214-E265 IonicContact CZ-OE2 2.87Å; R214-E265 IonicContact NE-OE1 3.88Å; R214-E265 IonicContact NE-OE2 2.63Å; R214-E265 PolarHBondContact NE-OE2 2.92Å; R214-E265 VanDerWaalsContact NH2-CD 3.32Å; R214-E265 IonicContact NH2-OE1 3.84Å; R214-E265 PolarHBondContact NH2-OE1 3.37Å; R214-E265 IonicContact NH2-OE2 3.19Å; R214-E265 PolarHBondContact NH2-OE2 3.41Å; I217-E265 HydrophobicContact CG1-CB 3.86Å; S261-E265 WeakPolarHBondContact O-CG 3.39Å; S261-E265 PolarHBondContact O-N 2.77Å; M262-E265 PolarHBondContact O-N 2.86Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.98Å; E265-K268 PolarHBondContact O-N 2.89Å; E265-K268 IonicContact OE1-NZ 3.8Å; E265-K268 PolarHBondContact OE1-NZ 3.3Å; E265-F269 PolarHBondContact O-N 2.99Å; E265-F269 VanDerWaalsContact O-N 3.08Å |
| 266 | L | 83.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 170.9 | -178.9 | 64.6 | 0 | 0 | 0 | 111.4 | I217 L235 V239 M262 L263 F269 C270 T279 W324 | I217-L266 HydrophobicContact CD1-CB 4.05Å; I217-L266 HydrophobicContact CD1-CD1 4.4Å; L235-L266 HydrophobicContact CD1-CD1 4.25Å; L235-L266 HydrophobicContact CD2-CD1 3.7Å; L235-L266 HydrophobicContact CG-CD1 3.92Å; V239-L266 HydrophobicContact CG1-CD2 4.38Å; M262-L266 WeakPolarHBondContact O-CB 3.32Å; M262-L266 PolarHBondContact O-N 3.17Å; L263-L266 HydrophobicContact CD2-CD2 4.21Å; L266-F269 WeakPolarHBondContact O-CB 3.46Å; L266-F269 PolarHBondContact O-N 2.92Å; L266-C270 PolarHBondContact O-N 3.05Å; L266-T279 HydrophobicContact CD1-CG2 4.39Å; L266-T279 HydrophobicContact CD2-CG2 3.84Å; L266-T279 HydrophobicContact CG-CG2 4.14Å; L266-W324 HydrophobicContact CD2-CH2 4.29Å |
| 267 | Q | 79.7 | Confident | 80 | Confident | 37 Ų | 37 | 34.2 Ų | 34.2 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.1 | -179.6 | -169.3 | -19.9 | 0 | 0 | 111.7 | L263 S264 E265 F269 C270 L276 S320 | L263-Q267 WeakPolarHBondContact O-CB 3.23Å; L263-Q267 PolarHBondContact O-N 3.16Å; S264-Q267 PolarHBondContact O-N 3.44Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.98Å; Q267-F269 PolarHBondContact O-N 3.41Å; Q267-C270 PolarHBondContact O-N 2.9Å; Q267-L276 HydrophobicContact CB-CD1 4.2Å; Q267-L276 HydrophobicContact CG-CD1 3.76Å; Q267-L276 HydrophobicContact CG-CD2 4.01Å; Q267-S320 VanDerWaalsContact NE2-CB 3.27Å; Q267-S320 PolarHBondContact NE2-OG 3.38Å; Q267-S320 PolarHBondContact OE1-OG 3.38Å |
| 268 | K | 79.8 | Confident | 80.3 | Confident | 93 Ų | 93 | 38.1 Ų | 38.1 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.9 | -29 | 178.7 | -70.4 | 171.7 | -167.5 | 171.7 | 0 | 111.9 | E210 S264 E265 | E210-K268 IonicContact OE1-NZ 2.88Å; S264-K268 WeakPolarHBondContact O-CG 3.34Å; S264-K268 PolarHBondContact O-N 3.18Å; E265-K268 PolarHBondContact O-N 2.89Å; E265-K268 IonicContact OE1-NZ 3.8Å; E265-K268 PolarHBondContact OE1-NZ 3.3Å |
| 269 | F | 79.4 | Confident | 80.4 | Confident | 78 Ų | 78 | 38.1 Ų | 38.1 | 34% | 0.342 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.1 | -33.4 | 176 | -172.4 | -105.6 | 0 | 0 | 0 | 113.2 | I217 T221 F230 L235 E265 L266 Q267 S271 | I217-F269 HydrophobicContact CG2-CB 4.36Å; I217-F269 HydrophobicContact CG2-CG 4.42Å; T221-F269 HydrophobicContact CG2-CD1 4.17Å; T221-F269 HydrophobicContact CG2-CE1 3.5Å; T221-F269 VanDerWaalsContact CG2-CE1 3.5Å; T221-F269 HydrophobicContact CG2-CE2 4.08Å; T221-F269 HydrophobicContact CG2-CZ 3.46Å; T221-F269 VanDerWaalsContact CG2-CZ 3.46Å; F230-F269 AromaticContact CE2-CE1 3.5Å; F230-F269 HydrophobicContact CE2-CE1 3.5Å; F230-F269 VanDerWaalsContact CE2-CE1 3.5Å; F230-F269 AromaticContact CE2-CZ 3.76Å; F230-F269 HydrophobicContact CE2-CZ 3.76Å; F230-F269 HydrophobicContact CZ-CD1 4.28Å; F230-F269 AromaticContact CZ-CE1 3.45Å; F230-F269 HydrophobicContact CZ-CE1 3.45Å; F230-F269 VanDerWaalsContact CZ-CE1 3.45Å; F230-F269 HydrophobicContact CZ-CZ 4.16Å; L235-F269 HydrophobicContact CD2-CD1 4.18Å; L235-F269 HydrophobicContact CD2-CE1 4.13Å; E265-F269 PolarHBondContact O-N 2.99Å; E265-F269 VanDerWaalsContact O-N 3.08Å; L266-F269 WeakPolarHBondContact O-CB 3.46Å; L266-F269 PolarHBondContact O-N 2.92Å; Q267-F269 PolarHBondContact O-N 3.41Å; F269-S271 PolarHBondContact O-N 3.3Å |
| 270 | C | 77.7 | Confident | 80.7 | Confident | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.054 | 21% | 0.209 | C | C | . | . | trans | -83.4 | 89.6 | 175.8 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | L266 Q267 L275 L276 | L266-C270 PolarHBondContact O-N 3.05Å; Q267-C270 PolarHBondContact O-N 2.9Å; C270-L275 HydrophobicContact CB-CD2 4.4Å; C270-L276 HydrophobicContact CB-CB 4.01Å; C270-L276 HydrophobicContact CB-CD1 4.16Å | ||
| 271 | S | 67.4 | Low | 81.2 | Confident | 121 Ų | 121 | 38.6 Ų | 38.6 | 85% | 0.846 | 21% | 0.214 | S | C | * | . | trans | -77 | -17.9 | -178.6 | 39.8 | 0 | 0 | 0 | 0 | 115.3 | F269 | F269-S271 PolarHBondContact O-N 3.3Š| ||
| 272 | D | 77 | Confident | 81.4 | Confident | 85 Ų | 85 | 41.4 Ų | 41.4 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -98 | 129.3 | 175.5 | -179.6 | -2.3 | 0 | 0 | 0 | 110.8 | S274 L275 L276 | D272-S274 PolarHBondContact O-N 3.28Å; D272-S274 PolarHBondContact OD1-N 3.46Å; D272-S274 PolarHBondContact OD1-OG 3.21Å; D272-S274 PolarHBondContact OD2-OG 3.41Å; D272-L275 HydrophobicContact CB-CB 3.98Å; D272-L275 WeakPolarHBondContact O-CB 3.43Å; D272-L275 PolarHBondContact O-N 2.64Å; D272-L275 VanDerWaalsContact O-N 3.15Å; D272-L276 WeakPolarHBondContact O-CB 3.08Å; D272-L276 PolarHBondContact O-N 3.37Å |
| 273 | D | 73.7 | Confident | 81.6 | Confident | 120 Ų | 120 | 41.6 Ų | 41.6 | 64% | 0.642 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -57.2 | -32.2 | 176.7 | -77.9 | -18 | 0 | 0 | 0 | 112.7 | S277 | D273-S277 VanDerWaalsContact O-CB 3.29Å; D273-S277 WeakPolarHBondContact O-CB 3.41Å; D273-S277 PolarHBondContact O-N 2.86Å |
| 274 | S | 78.7 | Confident | 82 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.1 | -45.4 | 177.5 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | D272 S277 E278 | D272-S274 PolarHBondContact O-N 3.28Å; D272-S274 PolarHBondContact OD1-N 3.46Å; D272-S274 PolarHBondContact OD1-OG 3.21Å; D272-S274 PolarHBondContact OD2-OG 3.41Å; S274-S277 WeakPolarHBondContact O-CB 3.33Å; S274-S277 PolarHBondContact O-N 3.09Å; S274-E278 PolarHBondContact O-N 2.98Å |
| 275 | L | 79.6 | Confident | 82.4 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -42.4 | 178.6 | -165.8 | 75.6 | 0 | 0 | 0 | 111.6 | F230 T232 C270 D272 E278 T279 | F230-L275 HydrophobicContact CE1-CD1 4.33Å; F230-L275 HydrophobicContact CE1-CD2 3.96Å; F230-L275 HydrophobicContact CZ-CD2 4.47Å; T232-L275 HydrophobicContact CG2-CD1 3.29Å; T232-L275 HydrophobicContact CG2-CG 4.02Å; C270-L275 HydrophobicContact CB-CD2 4.4Å; D272-L275 HydrophobicContact CB-CB 3.98Å; D272-L275 WeakPolarHBondContact O-CB 3.43Å; D272-L275 PolarHBondContact O-N 2.64Å; D272-L275 VanDerWaalsContact O-N 3.15Å; L275-E278 PolarHBondContact O-N 3.33Å; L275-T279 VanDerWaalsContact O-CB 3.32Å; L275-T279 WeakPolarHBondContact O-CB 3.19Å; L275-T279 PolarHBondContact O-N 2.59Å; L275-T279 PolarHBondContact O-OG1 2.95Å |
| 276 | L | 81.2 | Confident | 82.5 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 175.1 | 177.4 | 59.7 | 0 | 0 | 0 | 110.6 | Q267 C270 D272 E278 T279 I280 | Q267-L276 HydrophobicContact CB-CD1 4.2Å; Q267-L276 HydrophobicContact CG-CD1 3.76Å; Q267-L276 HydrophobicContact CG-CD2 4.01Å; C270-L276 HydrophobicContact CB-CB 4.01Å; C270-L276 HydrophobicContact CB-CD1 4.16Å; D272-L276 WeakPolarHBondContact O-CB 3.08Å; D272-L276 PolarHBondContact O-N 3.37Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.26Å; L276-T279 PolarHBondContact O-N 2.93Å; L276-I280 HydrophobicContact CD1-CD1 3.8Å; L276-I280 HydrophobicContact CD1-CG1 4.05Å; L276-I280 HydrophobicContact CG-CD1 3.79Å; L276-I280 HydrophobicContact CG-CG1 4.44Å; L276-I280 WeakPolarHBondContact O-CB 3.32Å; L276-I280 VanDerWaalsContact O-CG1 3.25Å; L276-I280 WeakPolarHBondContact O-CG1 3.38Å; L276-I280 PolarHBondContact O-N 3.35Å |
| 277 | S | 83.4 | Confident | 82.6 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -46.5 | 176.8 | 179 | 0 | 0 | 0 | 0 | 111.9 | D273 S274 C281 I496 | D273-S277 VanDerWaalsContact O-CB 3.29Å; D273-S277 WeakPolarHBondContact O-CB 3.41Å; D273-S277 PolarHBondContact O-N 2.86Å; S274-S277 WeakPolarHBondContact O-CB 3.33Å; S274-S277 PolarHBondContact O-N 3.09Å; S277-C281 WeakPolarHBondContact O-CB 3.18Å; S277-C281 PolarHBondContact O-N 3.41Å; S277-C281 VanDerWaalsContact O-N 3.08Å; S277-C281 PolarHBondContact O-SG 3.1Å; S277-I496 VanDerWaalsContact OG-CD1 3.25Å; S277-I496 WeakPolarHBondContact OG-CD1 3.38Å |
| 278 | E | 86 | Confident | 83 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 179.2 | -168.1 | -175.6 | -148.8 | 0 | 0 | 111.6 | T232 S274 L275 L276 C281 R282 | T232-E278 PolarHBondContact OG1-OE2 3.48Å; T232-E278 VanDerWaalsContact OG1-OE2 3.06Å; S274-E278 PolarHBondContact O-N 2.98Å; L275-E278 PolarHBondContact O-N 3.33Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.26Å; E278-C281 PolarHBondContact O-N 3.37Å; E278-R282 WeakPolarHBondContact O-CG 3.42Å; E278-R282 PolarHBondContact O-N 3.49Å; E278-R282 IonicContact OE1-CZ 2.84Å; E278-R282 VanDerWaalsContact OE1-CZ 3.3Å; E278-R282 IonicContact OE1-NE 3.99Å; E278-R282 IonicContact OE1-NH2 3.63Å; E278-R282 PolarHBondContact OE1-NH2 2.97Å; E278-R282 IonicContact OE2-CZ 2.91Å; E278-R282 IonicContact OE2-NH1 2.62Å; E278-R282 IonicContact OE2-NH2 3.48Å; E278-R282 PolarHBondContact OE2-NH2 3.36Å; E278-R282 VanDerWaalsContact OE2-NH2 3.12Å |
| 279 | T | 85.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 178.8 | -60 | 0 | 0 | 0 | 0 | 111.4 | T236 L266 L275 L276 F283 | T236-T279 HydrophobicContact CG2-CG2 3.6Å; L266-T279 HydrophobicContact CD1-CG2 4.39Å; L266-T279 HydrophobicContact CD2-CG2 3.84Å; L266-T279 HydrophobicContact CG-CG2 4.14Å; L275-T279 VanDerWaalsContact O-CB 3.32Å; L275-T279 WeakPolarHBondContact O-CB 3.19Å; L275-T279 PolarHBondContact O-N 2.59Å; L275-T279 PolarHBondContact O-OG1 2.95Å; L276-T279 PolarHBondContact O-N 2.93Å; T279-F283 WeakPolarHBondContact O-CB 3.38Å; T279-F283 PolarHBondContact O-N 3.44Å; T279-F283 VanDerWaalsContact O-N 3.07Å |
| 280 | I | 86.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -51.1 | 176.6 | -69.3 | 168.2 | 0 | 0 | 0 | 110.5 | L276 R282 F283 I284 L323 W324 I496 | L276-I280 HydrophobicContact CD1-CD1 3.8Å; L276-I280 HydrophobicContact CD1-CG1 4.05Å; L276-I280 HydrophobicContact CG-CD1 3.79Å; L276-I280 HydrophobicContact CG-CG1 4.44Å; L276-I280 WeakPolarHBondContact O-CB 3.32Å; L276-I280 VanDerWaalsContact O-CG1 3.25Å; L276-I280 WeakPolarHBondContact O-CG1 3.38Å; L276-I280 PolarHBondContact O-N 3.35Å; I280-R282 PolarHBondContact O-N 2.99Å; I280-F283 PolarHBondContact O-N 3.31Å; I280-I284 HydrophobicContact CG2-CD1 3.6Å; I280-I284 HydrophobicContact CG2-CG1 4.47Å; I280-I284 VanDerWaalsContact O-CG1 3.28Å; I280-I284 WeakPolarHBondContact O-CG1 3.46Å; I280-I284 PolarHBondContact O-N 3.26Å; I280-L323 HydrophobicContact CD1-CB 4Å; I280-L323 HydrophobicContact CD1-CD1 3.97Å; I280-W324 HydrophobicContact CB-CE3 4.34Å; I280-W324 HydrophobicContact CB-CH2 4.2Å; I280-W324 HydrophobicContact CB-CZ2 4.37Å; I280-W324 HydrophobicContact CB-CZ3 4.19Å; I280-W324 HydrophobicContact CD1-CZ2 4.42Å; I280-W324 HydrophobicContact CG1-CD2 3.92Å; I280-W324 HydrophobicContact CG1-CE3 4.18Å; I280-W324 HydrophobicContact CG1-CH2 3.73Å; I280-W324 HydrophobicContact CG1-CZ2 3.43Å; I280-W324 VanDerWaalsContact CG1-CZ2 3.43Å; I280-W324 HydrophobicContact CG1-CZ3 4.1Å; I280-W324 HydrophobicContact CG2-CD2 4.16Å; I280-W324 HydrophobicContact CG2-CE3 3.96Å; I280-W324 HydrophobicContact CG2-CZ3 4.25Å; I280-I496 HydrophobicContact CD1-CD1 4.4Å |
| 281 | C | 89.3 | Confident | 83.1 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.095 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | -175.9 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | S277 E278 F283 I284 D285 P492 Q493 | S277-C281 WeakPolarHBondContact O-CB 3.18Å; S277-C281 PolarHBondContact O-N 3.41Å; S277-C281 VanDerWaalsContact O-N 3.08Å; S277-C281 PolarHBondContact O-SG 3.1Å; E278-C281 PolarHBondContact O-N 3.37Å; C281-F283 PolarHBondContact O-N 3.29Å; C281-I284 PolarHBondContact O-N 3.42Å; C281-D285 WeakPolarHBondContact O-CB 3.45Å; C281-D285 VanDerWaalsContact O-CG 3.32Å; C281-D285 PolarHBondContact O-N 2.87Å; C281-P492 HydrophobicContact CB-CB 4Å; C281-Q493 WeakPolarHBondContact SG-CG 3.42Å |
| 282 | R | 88.4 | Confident | 83.7 | Confident | 59 Ų | 59 | 44 Ų | 44 | 22% | 0.223 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | -179.4 | -71.5 | -151.1 | -147.2 | 97.9 | -15.4 | 113 | T232 T236 E278 I280 I284 D285 Q286 | T232-R282 VanDerWaalsContact OG1-CZ 3.3Å; T232-R282 PolarHBondContact OG1-NH1 2.87Å; T232-R282 PolarHBondContact OG1-NH2 3.19Å; T236-R282 HydrophobicContact CG2-CB 4.48Å; E278-R282 WeakPolarHBondContact O-CG 3.42Å; E278-R282 PolarHBondContact O-N 3.49Å; E278-R282 IonicContact OE1-CZ 2.84Å; E278-R282 VanDerWaalsContact OE1-CZ 3.3Å; E278-R282 IonicContact OE1-NE 3.99Å; E278-R282 IonicContact OE1-NH2 3.63Å; E278-R282 PolarHBondContact OE1-NH2 2.97Å; E278-R282 IonicContact OE2-CZ 2.91Å; E278-R282 IonicContact OE2-NH1 2.62Å; E278-R282 IonicContact OE2-NH2 3.48Å; E278-R282 PolarHBondContact OE2-NH2 3.36Å; E278-R282 VanDerWaalsContact OE2-NH2 3.12Å; I280-R282 PolarHBondContact O-N 2.99Å; R282-I284 VanDerWaalsContact C-N 3.35Å; R282-D285 PolarHBondContact O-N 3.27Å; R282-Q286 WeakPolarHBondContact O-CB 3.41Å; R282-Q286 VanDerWaalsContact O-CG 3.31Å; R282-Q286 WeakPolarHBondContact O-CG 3.45Å; R282-Q286 PolarHBondContact O-N 3.06Å |
| 283 | F | 88.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 177.5 | 177.7 | -79.1 | 0 | 0 | 0 | 111.1 | V239 T240 L247 L263 T279 I280 C281 D285 Q286 L287 W324 | V239-F283 HydrophobicContact CG1-CE2 4.22Å; T240-F283 WeakPolarHBondContact OG1-CD2 3.5Å; T240-F283 WeakPolarHBondContact OG1-CE2 3.21Å; L247-F283 HydrophobicContact CD1-CZ 4.36Å; L263-F283 HydrophobicContact CD1-CE1 4.44Å; L263-F283 HydrophobicContact CD1-CZ 4.47Å; L263-F283 HydrophobicContact CD2-CD2 4.33Å; L263-F283 HydrophobicContact CD2-CE1 4.3Å; L263-F283 HydrophobicContact CD2-CE2 3.94Å; L263-F283 HydrophobicContact CD2-CZ 3.93Å; T279-F283 WeakPolarHBondContact O-CB 3.38Å; T279-F283 PolarHBondContact O-N 3.44Å; T279-F283 VanDerWaalsContact O-N 3.07Å; I280-F283 PolarHBondContact O-N 3.31Å; C281-F283 PolarHBondContact O-N 3.29Å; F283-D285 VanDerWaalsContact C-N 3.35Å; F283-D285 PolarHBondContact O-N 3.07Å; F283-Q286 PolarHBondContact O-N 3.47Å; F283-L287 HydrophobicContact CE1-CD2 3.87Å; F283-L287 HydrophobicContact CZ-CD2 4.43Å; F283-L287 VanDerWaalsContact O-CB 3.26Å; F283-L287 WeakPolarHBondContact O-CB 3.35Å; F283-L287 PolarHBondContact O-N 3.11Å; F283-W324 HydrophobicContact CB-CH2 4.21Å; F283-W324 HydrophobicContact CB-CZ3 3.73Å; F283-W324 HydrophobicContact CD1-CE3 4.15Å; F283-W324 AromaticContact CD1-CZ3 3.56Å; F283-W324 HydrophobicContact CD1-CZ3 3.56Å; F283-W324 HydrophobicContact CE1-CZ3 4.37Å; F283-W324 HydrophobicContact CG-CH2 4.32Å; F283-W324 AromaticContact CG-CZ3 3.72Å; F283-W324 HydrophobicContact CG-CZ3 3.72Å |
| 284 | I | 90 | Very high | 84.2 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.7 | -69.2 | 168.9 | 0 | 0 | 0 | 110.6 | I280 C281 R282 S288 W324 F328 E331 P492 | I280-I284 HydrophobicContact CG2-CD1 3.6Å; I280-I284 HydrophobicContact CG2-CG1 4.47Å; I280-I284 VanDerWaalsContact O-CG1 3.28Å; I280-I284 WeakPolarHBondContact O-CG1 3.46Å; I280-I284 PolarHBondContact O-N 3.26Å; C281-I284 PolarHBondContact O-N 3.42Å; R282-I284 VanDerWaalsContact C-N 3.35Å; I284-S288 WeakPolarHBondContact O-CB 3.24Å; I284-S288 PolarHBondContact O-N 2.75Å; I284-S288 PolarHBondContact O-OG 2.91Å; I284-W324 HydrophobicContact CG1-CE3 4.41Å; I284-F328 HydrophobicContact CB-CD2 4.34Å; I284-F328 HydrophobicContact CD1-CB 4.29Å; I284-F328 HydrophobicContact CG1-CB 4.22Å; I284-F328 HydrophobicContact CG1-CD2 4.13Å; I284-F328 HydrophobicContact CG2-CB 4.38Å; I284-F328 HydrophobicContact CG2-CD2 3.9Å; I284-E331 HydrophobicContact CG2-CB 3.73Å; I284-E331 HydrophobicContact CG2-CG 3.9Å; I284-P492 HydrophobicContact CB-CB 4.05Å; I284-P492 HydrophobicContact CB-CG 4.48Å; I284-P492 HydrophobicContact CD1-CB 4.08Å; I284-P492 HydrophobicContact CG2-CB 3.85Å; I284-P492 HydrophobicContact CG2-CG 3.92Å |
| 285 | D | 89 | Confident | 84.3 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 178.6 | -75.1 | -27.8 | 0 | 0 | 0 | 111.9 | C281 R282 F283 S288 Q289 P492 | C281-D285 WeakPolarHBondContact O-CB 3.45Å; C281-D285 VanDerWaalsContact O-CG 3.32Å; C281-D285 PolarHBondContact O-N 2.87Å; R282-D285 PolarHBondContact O-N 3.27Å; F283-D285 VanDerWaalsContact C-N 3.35Å; F283-D285 PolarHBondContact O-N 3.07Å; D285-S288 WeakPolarHBondContact CA-OG 3.35Å; D285-S288 PolarHBondContact O-OG 3Å; D285-Q289 VanDerWaalsContact O-CB 3.31Å; D285-Q289 WeakPolarHBondContact O-CB 3.49Å; D285-Q289 WeakPolarHBondContact O-CG 3.4Å; D285-Q289 PolarHBondContact O-N 2.88Å; D285-P492 VanDerWaalsContact OD1-CG 3.29Å; D285-P492 WeakPolarHBondContact OD1-CG 3.43Å |
| 286 | Q | 87.1 | Confident | 84.4 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -50.6 | 177.9 | -75.2 | 177.2 | -18.6 | 0 | 0 | 111.6 | T236 T240 R282 F283 S288 Q289 R290 | T236-Q286 PolarHBondContact O-OE1 3.17Å; T240-Q286 HydrophobicContact CG2-CB 4.15Å; T240-Q286 PolarHBondContact OG1-OE1 2.96Å; R282-Q286 WeakPolarHBondContact O-CB 3.41Å; R282-Q286 VanDerWaalsContact O-CG 3.31Å; R282-Q286 WeakPolarHBondContact O-CG 3.45Å; R282-Q286 PolarHBondContact O-N 3.06Å; F283-Q286 PolarHBondContact O-N 3.47Å; Q286-S288 VanDerWaalsContact C-N 3.31Å; Q286-S288 PolarHBondContact O-N 3.09Å; Q286-Q289 PolarHBondContact O-N 3.4Å; Q286-R290 WeakPolarHBondContact O-CB 3.21Å; Q286-R290 PolarHBondContact O-N 2.93Å |
| 287 | L | 86.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | -179.6 | -177.2 | 61.7 | 0 | 0 | 0 | 111 | T240 Q244 L247 F283 H291 V301 F328 | T240-L287 HydrophobicContact CG2-CB 4.42Å; Q244-L287 HydrophobicContact CB-CD1 4.46Å; L247-L287 HydrophobicContact CD1-CD1 4.32Å; L247-L287 HydrophobicContact CD1-CD2 3.72Å; F283-L287 HydrophobicContact CE1-CD2 3.87Å; F283-L287 HydrophobicContact CZ-CD2 4.43Å; F283-L287 VanDerWaalsContact O-CB 3.26Å; F283-L287 WeakPolarHBondContact O-CB 3.35Å; F283-L287 PolarHBondContact O-N 3.11Å; L287-H291 PolarHBondContact O-N 3.26Å; L287-V301 HydrophobicContact CD2-CG1 4.31Å; L287-F328 HydrophobicContact CB-CE2 4.33Å; L287-F328 HydrophobicContact CD2-CD2 4.37Å; L287-F328 HydrophobicContact CD2-CE2 3.54Å; L287-F328 HydrophobicContact CD2-CZ 4.07Å; L287-F328 HydrophobicContact CG-CE2 3.95Å; L287-F328 HydrophobicContact CG-CZ 4.46Å |
| 288 | S | 87.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.5 | -44.7 | 178.3 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | I284 D285 Q286 R335 | I284-S288 WeakPolarHBondContact O-CB 3.24Å; I284-S288 PolarHBondContact O-N 2.75Å; I284-S288 PolarHBondContact O-OG 2.91Å; D285-S288 WeakPolarHBondContact CA-OG 3.35Å; D285-S288 PolarHBondContact O-OG 3Å; Q286-S288 VanDerWaalsContact C-N 3.31Å; Q286-S288 PolarHBondContact O-N 3.09Å; S288-R335 VanDerWaalsContact CB-CZ 3.5Å; S288-R335 PolarHBondContact O-NH1 2.86Å; S288-R335 PolarHBondContact OG-NH1 3.05Å; S288-R335 PolarHBondContact OG-NH2 3.41Å |
| 289 | Q | 84.8 | Confident | 84.4 | Confident | 139 Ų | 139 | 44 Ų | 44 | 65% | 0.65 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -71 | -42.8 | -175.7 | -72.8 | 178 | 8 | 0 | 0 | 112.7 | D285 Q286 | D285-Q289 VanDerWaalsContact O-CB 3.31Å; D285-Q289 WeakPolarHBondContact O-CB 3.49Å; D285-Q289 WeakPolarHBondContact O-CG 3.4Å; D285-Q289 PolarHBondContact O-N 2.88Å; Q286-Q289 PolarHBondContact O-N 3.4Å |
| 290 | R | 80.4 | Confident | 84.3 | Confident | 130 Ų | 130 | 45.9 Ų | 45.9 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -85.5 | -31.3 | -170.2 | -69.6 | -177.5 | 174.7 | 177.8 | -0.1 | 113.2 | E237 Q286 | E237-R290 IonicContact OE1-CZ 3.85Å; E237-R290 VanDerWaalsContact OE1-CZ 3.3Å; E237-R290 IonicContact OE1-NH1 3.08Å; E237-R290 PolarHBondContact OE1-NH1 3.31Å; E237-R290 IonicContact OE1-NH2 3.42Å; E237-R290 PolarHBondContact OE1-NH2 2.63Å; Q286-R290 WeakPolarHBondContact O-CB 3.21Å; Q286-R290 PolarHBondContact O-N 2.93Å |
| 291 | H | 74.1 | Confident | 84.1 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 22% | 0.218 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -125.6 | -15.7 | -161.9 | -56.9 | -69.7 | 0 | 0 | 0 | 115.9 | Q244 V248 L287 T293 | Q244-H291 PolarHBondContact OE1-CE1 2.94Å; Q244-H291 PolarHBondContact OE1-NE2 2.95Å; V248-H291 HydrophobicContact CG2-CB 4.11Å; L287-H291 PolarHBondContact O-N 3.26Å; H291-T293 PolarHBondContact O-N 3Å |
| 292 | I | 80.8 | Confident | 83.9 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | trans | -100.1 | 87.4 | -178.4 | -53.2 | 171.9 | 0 | 0 | 0 | 109 | C298 F328 M332 F336 | I292-C298 HydrophobicContact CG2-CB 3.73Å; I292-F328 HydrophobicContact CD1-CE1 4.12Å; I292-F328 HydrophobicContact CD1-CE2 3.93Å; I292-F328 HydrophobicContact CD1-CZ 3.27Å; I292-M332 HydrophobicContact CB-SD 4.49Å; I292-M332 HydrophobicContact CD1-CE 3.69Å; I292-M332 HydrophobicContact CD1-SD 3.38Å; I292-M332 WeakPolarHBondContact CD1-SD 3.29Å; I292-M332 HydrophobicContact CG2-SD 4.01Å; I292-F336 HydrophobicContact CG2-CE2 3.86Å; I292-F336 HydrophobicContact CG2-CZ 4.25Å | ||
| 293 | T | 78.7 | Confident | 83.6 | Confident | 114 Ų | 114 | 47.1 Ų | 47.1 | 70% | 0.699 | 23% | 0.227 | S | C | * | . | trans | -95.2 | -18 | -178.2 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | H291 | H291-T293 PolarHBondContact O-N 3Š| ||
| 294 | N | 82.4 | Confident | 83.2 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 34% | 0.337 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -144.1 | 166.4 | -178.1 | 70.1 | 67.9 | 0 | 0 | 0 | 111.5 | E296 T297 C298 | N294-E296 WeakPolarHBondContact OD1-CA 3.46Å; N294-E296 WeakPolarHBondContact OD1-CB 3.47Å; N294-E296 PolarHBondContact OD1-N 3.09Å; N294-T297 PolarHBondContact ND2-OG1 3.1Å; N294-T297 PolarHBondContact OD1-N 3.43Å; N294-T297 PolarHBondContact OD1-OG1 3.24Å; N294-C298 PolarHBondContact O-N 2.89Å |
| 295 | I | 80.2 | Confident | 82.8 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.1 | -25.7 | -175.6 | -165.9 | 157.3 | 0 | 0 | 0 | 114.3 | C298 F299 L344 | I295-C298 WeakPolarHBondContact O-CB 3.42Å; I295-C298 PolarHBondContact O-N 2.85Å; I295-F299 HydrophobicContact CD1-CE2 3.75Å; I295-F299 HydrophobicContact CD1-CZ 3.81Å; I295-F299 HydrophobicContact CG1-CD2 3.88Å; I295-F299 HydrophobicContact CG1-CE2 3.55Å; I295-F299 HydrophobicContact CG1-CZ 3.93Å; I295-F299 PolarHBondContact O-N 2.99Å; I295-L344 HydrophobicContact CD1-CD1 3.2Å; I295-L344 HydrophobicContact CD1-CG 4.32Å |
| 296 | E | 81.8 | Confident | 82.5 | Confident | 150 Ų | 150 | 45 Ų | 45 | 70% | 0.701 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -67.8 | -44.4 | 178.2 | -173.5 | 177.9 | -178.7 | 0 | 0 | 110.7 | N294 C298 F299 T300 | N294-E296 WeakPolarHBondContact OD1-CA 3.46Å; N294-E296 WeakPolarHBondContact OD1-CB 3.47Å; N294-E296 PolarHBondContact OD1-N 3.09Å; E296-C298 VanDerWaalsContact C-N 3.32Å; E296-C298 PolarHBondContact O-N 3.24Å; E296-F299 PolarHBondContact O-N 3.04Å; E296-T300 WeakPolarHBondContact O-CB 3.44Å; E296-T300 PolarHBondContact O-N 3.17Å; E296-T300 PolarHBondContact O-OG1 2.86Å |
| 297 | T | 81.7 | Confident | 82.3 | Confident | 23 Ų | 23 | 45 Ų | 45 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 170.8 | -55.6 | 0 | 0 | 0 | 0 | 111 | V248 N294 T300 V301 | V248-T297 HydrophobicContact CB-CG2 4.46Å; V248-T297 HydrophobicContact CG1-CG2 3.78Å; V248-T297 HydrophobicContact CG2-CG2 4.21Å; N294-T297 PolarHBondContact ND2-OG1 3.1Å; N294-T297 PolarHBondContact OD1-N 3.43Å; N294-T297 PolarHBondContact OD1-OG1 3.24Å; T297-T300 PolarHBondContact O-N 3.4Å; T297-V301 HydrophobicContact CG2-CG2 4.39Å; T297-V301 WeakPolarHBondContact O-CG2 2.99Å; T297-V301 PolarHBondContact O-N 2.87Å |
| 298 | C | 85.3 | Confident | 82 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -52.5 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 112 | I292 N294 I295 E296 T300 V301 L302 M332 | I292-C298 HydrophobicContact CG2-CB 3.73Å; N294-C298 PolarHBondContact O-N 2.89Å; I295-C298 WeakPolarHBondContact O-CB 3.42Å; I295-C298 PolarHBondContact O-N 2.85Å; E296-C298 VanDerWaalsContact C-N 3.32Å; E296-C298 PolarHBondContact O-N 3.24Å; C298-T300 VanDerWaalsContact C-N 3.32Å; C298-T300 PolarHBondContact O-N 3.49Å; C298-V301 PolarHBondContact O-N 3.01Å; C298-L302 WeakPolarHBondContact O-CB 3.39Å; C298-L302 WeakPolarHBondContact O-CG 3.11Å; C298-L302 PolarHBondContact O-N 2.62Å; C298-M332 WeakPolarHBondContact SG-CG 3.12Å; C298-M332 VanDerWaalsContact SG-SD 3.64Å |
| 299 | F | 84.4 | Confident | 81.6 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -33.8 | 178.9 | -71.7 | -39.4 | 0 | 0 | 0 | 112.9 | I295 E296 L302 R303 C347 W348 F351 | I295-F299 HydrophobicContact CD1-CE2 3.75Å; I295-F299 HydrophobicContact CD1-CZ 3.81Å; I295-F299 HydrophobicContact CG1-CD2 3.88Å; I295-F299 HydrophobicContact CG1-CE2 3.55Å; I295-F299 HydrophobicContact CG1-CZ 3.93Å; I295-F299 PolarHBondContact O-N 2.99Å; E296-F299 PolarHBondContact O-N 3.04Å; F299-L302 HydrophobicContact CD1-CD1 4.35Å; F299-R303 WeakPolarHBondContact O-CB 3.43Å; F299-R303 PolarHBondContact O-N 2.99Å; F299-C347 HydrophobicContact CE2-CB 3.96Å; F299-C347 HydrophobicContact CZ-CB 4.1Å; F299-W348 AromaticContact CE1-CD2 3.91Å; F299-W348 HydrophobicContact CE1-CD2 3.91Å; F299-W348 AromaticContact CE1-CE3 3.71Å; F299-W348 HydrophobicContact CE1-CE3 3.71Å; F299-W348 HydrophobicContact CE1-CH2 4.27Å; F299-W348 HydrophobicContact CE1-CZ2 4.44Å; F299-W348 AromaticContact CE1-CZ3 3.91Å; F299-W348 HydrophobicContact CE1-CZ3 3.91Å; F299-W348 HydrophobicContact CZ-CD2 4.11Å; F299-W348 HydrophobicContact CZ-CE3 4.35Å; F299-W348 HydrophobicContact CZ-CG 4.35Å; F299-F351 HydrophobicContact CB-CD2 4.29Å; F299-F351 HydrophobicContact CB-CE2 4.19Å; F299-F351 HydrophobicContact CD1-CB 4.03Å; F299-F351 AromaticContact CD1-CD1 3.68Å; F299-F351 HydrophobicContact CD1-CD1 3.68Å; F299-F351 AromaticContact CD1-CD2 3.68Å; F299-F351 HydrophobicContact CD1-CD2 3.68Å; F299-F351 HydrophobicContact CD1-CE1 4.04Å; F299-F351 HydrophobicContact CD1-CE2 4.05Å; F299-F351 AromaticContact CD1-CG 3.49Å; F299-F351 HydrophobicContact CD1-CG 3.49Å; F299-F351 VanDerWaalsContact CD1-CG 3.49Å; F299-F351 HydrophobicContact CD1-CZ 4.22Å; F299-F351 HydrophobicContact CE1-CB 3.7Å; F299-F351 AromaticContact CE1-CD1 3.8Å; F299-F351 HydrophobicContact CE1-CD1 3.8Å; F299-F351 HydrophobicContact CE1-CD2 4.24Å; F299-F351 AromaticContact CE1-CG 3.63Å; F299-F351 HydrophobicContact CE1-CG 3.63Å; F299-F351 HydrophobicContact CG-CD2 4.1Å; F299-F351 HydrophobicContact CG-CE2 4.42Å; F299-F351 HydrophobicContact CG-CG 4.32Å; F299-F351 HydrophobicContact CZ-CB 4.18Å |
| 300 | T | 81.6 | Confident | 81.1 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62 | -48 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | E296 T297 C298 R303 R304 | E296-T300 WeakPolarHBondContact O-CB 3.44Å; E296-T300 PolarHBondContact O-N 3.17Å; E296-T300 PolarHBondContact O-OG1 2.86Å; T297-T300 PolarHBondContact O-N 3.4Å; C298-T300 VanDerWaalsContact C-N 3.32Å; C298-T300 PolarHBondContact O-N 3.49Å; T300-R303 PolarHBondContact O-N 3.49Å; T300-R304 WeakPolarHBondContact O-CG 3.47Å; T300-R304 PolarHBondContact O-N 2.89Å; T300-R304 VanDerWaalsContact O-N 3.1Å |
| 301 | V | 82.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -46.3 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L247 V248 L287 T297 C298 R303 R304 L305 F328 | L247-V301 HydrophobicContact CD2-CG1 4.46Å; L247-V301 WeakPolarHBondContact O-CG2 3.37Å; V248-V301 HydrophobicContact CG2-CG2 4.38Å; L287-V301 HydrophobicContact CD2-CG1 4.31Å; T297-V301 HydrophobicContact CG2-CG2 4.39Å; T297-V301 WeakPolarHBondContact O-CG2 2.99Å; T297-V301 PolarHBondContact O-N 2.87Å; C298-V301 PolarHBondContact O-N 3.01Å; V301-R303 VanDerWaalsContact C-N 3.31Å; V301-R303 PolarHBondContact O-N 3.03Å; V301-R304 WeakPolarHBondContact O-CB 3.16Å; V301-R304 PolarHBondContact O-N 3.39Å; V301-L305 HydrophobicContact CG1-CD1 4.05Å; V301-L305 HydrophobicContact CG1-CG 4.37Å; V301-L305 WeakPolarHBondContact O-CG 3.49Å; V301-L305 PolarHBondContact O-N 2.93Å; V301-F328 HydrophobicContact CB-CE1 4.27Å; V301-F328 HydrophobicContact CB-CZ 4.23Å; V301-F328 HydrophobicContact CG1-CE1 3.62Å; V301-F328 HydrophobicContact CG1-CE2 4.33Å; V301-F328 HydrophobicContact CG1-CZ 3.41Å; V301-F328 VanDerWaalsContact CG1-CZ 3.41Å |
| 302 | L | 85 | Confident | 79.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 177.3 | -77.2 | 169.2 | 0 | 0 | 0 | 112.1 | C298 F299 R304 L305 T306 F328 Q329 M332 W348 F351 | C298-L302 WeakPolarHBondContact O-CB 3.39Å; C298-L302 WeakPolarHBondContact O-CG 3.11Å; C298-L302 PolarHBondContact O-N 2.62Å; F299-L302 HydrophobicContact CD1-CD1 4.35Å; L302-R304 VanDerWaalsContact C-N 3.32Å; L302-R304 PolarHBondContact O-N 2.81Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-T306 WeakPolarHBondContact O-CB 3.48Å; L302-T306 PolarHBondContact O-N 3.26Å; L302-T306 PolarHBondContact O-OG1 3.05Å; L302-F328 HydrophobicContact CD2-CD1 3.6Å; L302-F328 HydrophobicContact CD2-CE1 4.04Å; L302-F328 HydrophobicContact CG-CD1 4.21Å; L302-F328 HydrophobicContact CG-CE1 4.14Å; L302-Q329 HydrophobicContact CD2-CB 4Å; L302-Q329 HydrophobicContact CD2-CG 4.17Å; L302-M332 HydrophobicContact CD1-CB 4.48Å; L302-M332 HydrophobicContact CD1-CG 4.37Å; L302-W348 HydrophobicContact CD1-CH2 3.7Å; L302-W348 HydrophobicContact CD1-CZ3 3.74Å; L302-F351 HydrophobicContact CB-CE1 3.56Å; L302-F351 HydrophobicContact CB-CZ 3.42Å; L302-F351 VanDerWaalsContact CB-CZ 3.42Å; L302-F351 HydrophobicContact CD1-CE1 3.85Å; L302-F351 HydrophobicContact CD1-CZ 4.45Å; L302-F351 HydrophobicContact CG-CE1 4.28Å |
| 303 | R | 82.8 | Confident | 78.4 | Confident | 98 Ų | 98 | 38.5 Ų | 38.5 | 37% | 0.37 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.8 | -45 | 176.2 | 178.2 | 164.9 | 175.5 | -148.5 | -15.5 | 110.5 | D253 F299 T300 V301 T306 L307 F351 W354 | D253-R303 IonicContact OD1-CZ 3.15Å; D253-R303 IonicContact OD1-NH1 2.78Å; D253-R303 IonicContact OD1-NH2 2.73Å; D253-R303 IonicContact OD2-CZ 2.73Å; D253-R303 IonicContact OD2-NH1 3.27Å; D253-R303 IonicContact OD2-NH2 3.94Å; D253-R303 PolarHBondContact OD2-NH2 3.06Å; F299-R303 WeakPolarHBondContact O-CB 3.43Å; F299-R303 PolarHBondContact O-N 2.99Å; T300-R303 PolarHBondContact O-N 3.49Å; V301-R303 VanDerWaalsContact C-N 3.31Å; V301-R303 PolarHBondContact O-N 3.03Å; R303-T306 WeakPolarHBondContact O-CB 3.48Å; R303-T306 PolarHBondContact O-N 3.11Å; R303-L307 HydrophobicContact CG-CD1 4.46Å; R303-L307 WeakPolarHBondContact O-CG 3.39Å; R303-L307 PolarHBondContact O-N 3.14Å; R303-F351 HydrophobicContact CB-CE2 4.25Å; R303-F351 HydrophobicContact CB-CZ 4.45Å; R303-W354 HydrophobicContact CB-CH2 4.45Å; R303-W354 HydrophobicContact CB-CZ3 4.32Å; R303-W354 HydrophobicContact CG-CH2 3.59Å; R303-W354 HydrophobicContact CG-CZ2 4.22Å; R303-W354 HydrophobicContact CG-CZ3 3.92Å |
| 304 | R | 79.9 | Confident | 76.9 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 176 | -72.4 | 174.4 | 167.9 | 153.3 | -0.7 | 112.9 | V246 L247 S249 Y252 T300 V301 L302 T306 L307 W308 | V246-R304 PolarHBondContact O-NH1 3.4Å; V246-R304 VanDerWaalsContact O-NH1 3.08Å; L247-R304 HydrophobicContact CD2-CB 4.42Å; L247-R304 PolarHBondContact O-NH1 3.28Å; S249-R304 PolarHBondContact O-NH1 3.38Å; S249-R304 PolarHBondContact O-NH2 3.27Å; Y252-R304 PolarHBondContact O-NH2 2.9Å; T300-R304 WeakPolarHBondContact O-CG 3.47Å; T300-R304 PolarHBondContact O-N 2.89Å; T300-R304 VanDerWaalsContact O-N 3.1Å; V301-R304 WeakPolarHBondContact O-CB 3.16Å; V301-R304 PolarHBondContact O-N 3.39Å; L302-R304 VanDerWaalsContact C-N 3.32Å; L302-R304 PolarHBondContact O-N 2.81Å; R304-T306 PolarHBondContact O-N 2.92Å; R304-L307 PolarHBondContact O-N 2.65Å; R304-W308 PolarHBondContact O-N 3.11Å |
| 305 | L | 82.3 | Confident | 75 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -28.4 | 174.5 | -69 | 174.4 | 0 | 0 | 0 | 112.1 | V301 L302 W308 L325 F328 | V301-L305 HydrophobicContact CG1-CD1 4.05Å; V301-L305 HydrophobicContact CG1-CG 4.37Å; V301-L305 WeakPolarHBondContact O-CG 3.49Å; V301-L305 PolarHBondContact O-N 2.93Å; L302-L305 PolarHBondContact O-N 3.37Å; L305-W308 HydrophobicContact CD2-CE3 3.68Å; L305-W308 HydrophobicContact CD2-CZ3 3.91Å; L305-W308 WeakPolarHBondContact O-CB 3.36Å; L305-L325 HydrophobicContact CB-CD1 3.91Å; L305-F328 HydrophobicContact CD1-CB 3.93Å; L305-F328 HydrophobicContact CD1-CD1 3.45Å; L305-F328 VanDerWaalsContact CD1-CD1 3.45Å; L305-F328 HydrophobicContact CD1-CD2 4.17Å; L305-F328 HydrophobicContact CD1-CE1 3.87Å; L305-F328 HydrophobicContact CD1-CG 3.58Å; L305-F328 HydrophobicContact CD1-CZ 4.36Å |
| 306 | T | 83.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.9 | -45.1 | 173.6 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | L302 R303 R304 W308 L309 W354 Q355 F358 V359 | L302-T306 WeakPolarHBondContact O-CB 3.48Å; L302-T306 PolarHBondContact O-N 3.26Å; L302-T306 PolarHBondContact O-OG1 3.05Å; R303-T306 WeakPolarHBondContact O-CB 3.48Å; R303-T306 PolarHBondContact O-N 3.11Å; R304-T306 PolarHBondContact O-N 2.92Å; T306-W308 PolarHBondContact O-N 3.31Å; T306-L309 WeakPolarHBondContact O-CB 2.8Å; T306-L309 PolarHBondContact O-N 2.76Å; T306-W354 HydrophobicContact CG2-CZ3 4.18Å; T306-Q355 HydrophobicContact CG2-CB 4.21Å; T306-Q355 HydrophobicContact CG2-CG 4.01Å; T306-Q355 PolarHBondContact OG1-NE2 3.04Å; T306-F358 HydrophobicContact CG2-CD1 3.71Å; T306-F358 HydrophobicContact CG2-CE1 4.13Å; T306-V359 HydrophobicContact CG2-CG2 4.44Å |
| 307 | L | 81.1 | Confident | 71.7 | Confident | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -27.4 | 173.8 | -69.8 | 176.3 | 0 | 0 | 0 | 111.5 | Y256 R303 R304 L309 T310 F358 | Y256-L307 HydrophobicContact CD1-CB 3.78Å; Y256-L307 HydrophobicContact CD1-CD1 3.98Å; Y256-L307 HydrophobicContact CD2-CB 4.13Å; Y256-L307 HydrophobicContact CE1-CB 4.16Å; Y256-L307 HydrophobicContact CE1-CD1 4.33Å; Y256-L307 HydrophobicContact CE2-CB 4.48Å; Y256-L307 WeakPolarHBondContact CE2-O 3.45Å; Y256-L307 HydrophobicContact CG-CB 3.78Å; R303-L307 HydrophobicContact CG-CD1 4.46Å; R303-L307 WeakPolarHBondContact O-CG 3.39Å; R303-L307 PolarHBondContact O-N 3.14Å; R304-L307 PolarHBondContact O-N 2.65Å; L307-L309 PolarHBondContact O-N 2.86Å; L307-L309 VanDerWaalsContact O-N 3.13Å; L307-T310 VanDerWaalsContact O-CB 3.29Å; L307-T310 WeakPolarHBondContact O-CB 3.44Å; L307-T310 WeakPolarHBondContact O-CG2 3.36Å; L307-T310 PolarHBondContact O-N 2.99Å; L307-T310 PolarHBondContact O-OG1 3.37Å; L307-F358 HydrophobicContact CD2-CE1 4.27Å; L307-F358 HydrophobicContact CD2-CE2 3.61Å; L307-F358 HydrophobicContact CD2-CZ 3.44Å; L307-F358 VanDerWaalsContact CD2-CZ 3.44Å |
| 308 | W | 80.6 | Confident | 70.4 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -53.5 | -29.9 | 172.3 | -169.3 | 3.6 | 0 | 0 | 0 | 113.5 | A260 L263 R304 L305 T306 T310 W311 L321 W324 | A260-W308 HydrophobicContact CB-CD2 4.46Å; A260-W308 HydrophobicContact CB-CG 3.9Å; A260-W308 PolarHBondContact O-NE1 2.73Å; L263-W308 HydrophobicContact CB-CH2 3.27Å; L263-W308 HydrophobicContact CB-CZ2 3.3Å; L263-W308 HydrophobicContact CB-CZ3 4.32Å; L263-W308 HydrophobicContact CD1-CE3 4.32Å; L263-W308 HydrophobicContact CD1-CH2 3.23Å; L263-W308 HydrophobicContact CD1-CZ2 3.94Å; L263-W308 HydrophobicContact CD1-CZ3 3.43Å; L263-W308 VanDerWaalsContact CD1-CZ3 3.43Å; L263-W308 HydrophobicContact CG-CH2 3.87Å; L263-W308 HydrophobicContact CG-CZ2 4.24Å; R304-W308 PolarHBondContact O-N 3.11Å; L305-W308 HydrophobicContact CD2-CE3 3.68Å; L305-W308 HydrophobicContact CD2-CZ3 3.91Å; L305-W308 WeakPolarHBondContact O-CB 3.36Å; T306-W308 PolarHBondContact O-N 3.31Å; W308-T310 PolarHBondContact O-N 3Å; W308-W311 VanDerWaalsContact O-CB 3.27Å; W308-W311 WeakPolarHBondContact O-CB 2.97Å; W308-W311 PolarHBondContact O-N 2.92Å; W308-L321 HydrophobicContact CD2-CB 4.44Å; W308-L321 HydrophobicContact CD2-CD1 4.48Å; W308-L321 HydrophobicContact CD2-CD2 3.94Å; W308-L321 HydrophobicContact CD2-CG 4.47Å; W308-L321 HydrophobicContact CG-CD1 4.21Å; W308-L321 HydrophobicContact CG-CD2 4.5Å; W308-L321 HydrophobicContact CH2-CD2 3.86Å; W308-L321 HydrophobicContact CZ2-CD2 3.13Å; W308-L321 HydrophobicContact CZ2-CG 4.39Å; W308-W324 HydrophobicContact CE3-CB 4.44Å; W308-W324 HydrophobicContact CH2-CB 3.99Å; W308-W324 AromaticContact CH2-CD1 3.48Å; W308-W324 VanDerWaalsContact CH2-CD1 3.48Å; W308-W324 HydrophobicContact CH2-CD2 4.08Å; W308-W324 AromaticContact CH2-CG 3.59Å; W308-W324 HydrophobicContact CH2-CG 3.59Å; W308-W324 AromaticContact CH2-NE1 3.88Å; W308-W324 HydrophobicContact CZ3-CB 3.47Å; W308-W324 VanDerWaalsContact CZ3-CB 3.47Å; W308-W324 AromaticContact CZ3-CD1 3.91Å; W308-W324 HydrophobicContact CZ3-CD2 4.3Å; W308-W324 AromaticContact CZ3-CG 3.61Å; W308-W324 HydrophobicContact CZ3-CG 3.61Å |
| 309 | L | 79 | Confident | 69.4 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -60.9 | -18.3 | 175 | -65.2 | 173.4 | 0 | 0 | 0 | 112.9 | T306 L307 W311 L321 L325 V359 L362 A376 | T306-L309 WeakPolarHBondContact O-CB 2.8Å; T306-L309 PolarHBondContact O-N 2.76Å; L307-L309 PolarHBondContact O-N 2.86Å; L307-L309 VanDerWaalsContact O-N 3.13Å; L309-W311 PolarHBondContact O-N 2.97Å; L309-L321 HydrophobicContact CD2-CB 4.19Å; L309-L325 HydrophobicContact CD1-CD2 3.74Å; L309-L325 HydrophobicContact CG-CD2 4.16Å; L309-V359 HydrophobicContact CD1-CG2 3.67Å; L309-L362 HydrophobicContact CB-CD2 3.68Å; L309-L362 WeakPolarHBondContact O-CD2 3.3Å; L309-A376 HydrophobicContact CD1-CB 3.7Å; L309-A376 HydrophobicContact CD2-CB 4.4Å |
| 310 | T | 73.9 | Confident | 68.9 | Low | 12 Ų | 12 | 44 Ų | 44 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -79.4 | 2.6 | 173 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | F199 Y256 L307 W308 S312 F358 L362 | F199-T310 WeakPolarHBondContact CE1-O 3.39Å; F199-T310 HydrophobicContact CE2-CG2 4.13Å; F199-T310 HydrophobicContact CZ-CG2 4.34Å; F199-T310 WeakPolarHBondContact CZ-O 3.41Å; Y256-T310 WeakPolarHBondContact CE2-OG1 3.4Å; Y256-T310 PolarHBondContact OH-OG1 3.44Å; L307-T310 VanDerWaalsContact O-CB 3.29Å; L307-T310 WeakPolarHBondContact O-CB 3.44Å; L307-T310 WeakPolarHBondContact O-CG2 3.36Å; L307-T310 PolarHBondContact O-N 2.99Å; L307-T310 PolarHBondContact O-OG1 3.37Å; W308-T310 PolarHBondContact O-N 3Å; T310-S312 PolarHBondContact O-N 3.46Å; T310-F358 HydrophobicContact CG2-CE1 4.02Å; T310-F358 HydrophobicContact CG2-CE2 4.34Å; T310-F358 HydrophobicContact CG2-CZ 3.37Å; T310-L362 HydrophobicContact CG2-CD1 3.91Å; T310-L362 HydrophobicContact CG2-CD2 3.96Å |
| 311 | W | 71.4 | Confident | 68.8 | Low | 26 Ų | 26 | 42.5 Ų | 42.5 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | trans | -65.8 | 120.3 | 178 | -170.6 | -108.3 | 0 | 0 | 0 | 111.8 | I206 V209 E210 I257 A260 W308 L309 L321 | I206-W311 HydrophobicContact CG2-CH2 4.31Å; I206-W311 HydrophobicContact CG2-CZ2 4Å; V209-W311 HydrophobicContact CB-CH2 4.02Å; V209-W311 HydrophobicContact CG1-CH2 3.6Å; V209-W311 HydrophobicContact CG1-CZ2 4.22Å; E210-W311 HydrophobicContact CG-CZ2 3.99Å; I257-W311 HydrophobicContact CB-CZ3 4Å; I257-W311 HydrophobicContact CG1-CE3 4.41Å; I257-W311 HydrophobicContact CG1-CZ3 3.98Å; I257-W311 HydrophobicContact CG2-CH2 3.98Å; I257-W311 HydrophobicContact CG2-CZ3 3.57Å; A260-W311 HydrophobicContact CB-CB 4.35Å; A260-W311 HydrophobicContact CB-CD2 3.98Å; A260-W311 HydrophobicContact CB-CE3 4.03Å; A260-W311 HydrophobicContact CB-CG 4.15Å; W308-W311 VanDerWaalsContact O-CB 3.27Å; W308-W311 WeakPolarHBondContact O-CB 2.97Å; W308-W311 PolarHBondContact O-N 2.92Å; L309-W311 PolarHBondContact O-N 2.97Å; W311-L321 HydrophobicContact CB-CD1 4.46Å | ||
| 312 | S | 56.9 | Low | 68.9 | Low | 8 Ų | 8 | 42.5 Ų | 42.5 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | trans | -84.4 | 127.2 | -169.1 | 49.2 | 0 | 0 | 0 | 0 | 115.7 | I206 T310 L314 | I206-S312 WeakPolarHBondContact CD1-OG 3.49Å; I206-S312 VanDerWaalsContact CG1-OG 3.29Å; I206-S312 WeakPolarHBondContact CG1-OG 3.42Å; T310-S312 PolarHBondContact O-N 3.46Å; S312-L314 PolarHBondContact O-N 2.93Å | ||
| 313 | E | 51 | Low | 69 | Low | 142 Ų | 142 | 43 Ų | 43 | 66% | 0.664 | 21% | 0.205 | S | C | * | . | S | Bend | 77.5 | 6.1 | 130 | -65.6 | -167.1 | 166.3 | 0 | 0 | 124.6 | |||
| 314 | L | 46.9 | Very low | 69.2 | Low | 94 Ų | 94 | 38.5 Ų | 38.5 | 49% | 0.492 | 19% | 0.188 | S | C | . | . | trans | -136.5 | 4.1 | 177.4 | -99.2 | 150.6 | 0 | 0 | 0 | 119.2 | K207 S312 | K207-L314 HydrophobicContact CD-CD1 4.46Å; K207-L314 HydrophobicContact CG-CD1 3.96Å; S312-L314 PolarHBondContact O-N 2.93Å | ||
| 315 | A | 42.2 | Very low | 69.6 | Low | 33 Ų | 33 | 38.3 Ų | 38.3 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -126.8 | 84.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 316 | T | 48.2 | Very low | 70 | Confident | 114 Ų | 114 | 37.9 Ų | 37.9 | 70% | 0.699 | 19% | 0.185 | S | C | * | . | trans | 51 | 150 | 156.8 | 59.8 | 0 | 0 | 0 | 0 | 117.9 | R318 S319 | T316-R318 PolarHBondContact O-N 3.35Å; T316-S319 PolarHBondContact O-N 3.44Å | ||
| 317 | Y | 45.5 | Very low | 70.4 | Confident | 104 Ų | 104 | 37.9 Ų | 37.9 | 41% | 0.408 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -5.6 | 174.5 | -99.3 | -101.7 | 0 | 0 | 0 | 114.6 | L368 E371 G418 I422 | Y317-L368 HydrophobicContact CE1-CD2 3.78Å; Y317-L368 WeakPolarHBondContact OH-CD2 3.41Å; Y317-E371 WeakPolarHBondContact O-CB 3.35Å; Y317-G418 VanDerWaalsContact CE1-CA 3.44Å; Y317-G418 WeakPolarHBondContact OH-CA 2.76Å; Y317-I422 HydrophobicContact CE1-CD1 4.12Å |
| 318 | R | 54.6 | Low | 70.9 | Confident | 188 Ų | 188 | 37 Ų | 37 | 71% | 0.709 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 29.7 | -175.8 | -65 | -171.6 | 177.5 | -170.4 | -0.6 | 114.5 | T316 S320 | T316-R318 PolarHBondContact O-N 3.35Å; R318-S320 PolarHBondContact O-N 3.31Å |
| 319 | S | 64 | Low | 71.3 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | trans | -41.2 | 129.9 | 165.1 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | T316 L321 S372 R499 | T316-S319 PolarHBondContact O-N 3.44Å; S319-L321 VanDerWaalsContact OG-CG 3.28Å; S319-L321 WeakPolarHBondContact OG-CG 3.41Å; S319-S372 WeakPolarHBondContact CB-OG 3.08Å; S319-S372 WeakPolarHBondContact O-CB 3.28Å; S319-S372 PolarHBondContact OG-OG 3.38Å; S319-R499 PolarHBondContact O-NH1 3.15Å; S319-R499 PolarHBondContact O-NH2 3.47Å | ||
| 320 | S | 73.5 | Confident | 71.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | trans | -111.5 | 21.6 | -176.8 | 91.9 | 0 | 0 | 0 | 0 | 113.6 | Q267 R318 D322 L323 | Q267-S320 VanDerWaalsContact NE2-CB 3.27Å; Q267-S320 PolarHBondContact NE2-OG 3.38Å; Q267-S320 PolarHBondContact OE1-OG 3.38Å; R318-S320 PolarHBondContact O-N 3.31Å; S320-D322 VanDerWaalsContact C-OD1 3.24Å; S320-D322 WeakPolarHBondContact CA-OD1 3.28Å; S320-D322 PolarHBondContact O-N 2.91Å; S320-L323 VanDerWaalsContact CB-CD1 3.48Å; S320-L323 WeakPolarHBondContact O-CA 2.8Å; S320-L323 WeakPolarHBondContact O-CB 3.38Å; S320-L323 WeakPolarHBondContact O-CG 2.85Å; S320-L323 PolarHBondContact O-N 2.89Å | ||
| 321 | L | 79.1 | Confident | 72.7 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -33.2 | -176.6 | -55.6 | -175.2 | 0 | 0 | 0 | 112.8 | W308 L309 W311 S319 L323 W324 L325 | W308-L321 HydrophobicContact CD2-CB 4.44Å; W308-L321 HydrophobicContact CD2-CD1 4.48Å; W308-L321 HydrophobicContact CD2-CD2 3.94Å; W308-L321 HydrophobicContact CD2-CG 4.47Å; W308-L321 HydrophobicContact CG-CD1 4.21Å; W308-L321 HydrophobicContact CG-CD2 4.5Å; W308-L321 HydrophobicContact CH2-CD2 3.86Å; W308-L321 HydrophobicContact CZ2-CD2 3.13Å; W308-L321 HydrophobicContact CZ2-CG 4.39Å; L309-L321 HydrophobicContact CD2-CB 4.19Å; W311-L321 HydrophobicContact CB-CD1 4.46Å; S319-L321 VanDerWaalsContact OG-CG 3.28Å; S319-L321 WeakPolarHBondContact OG-CG 3.41Å; L321-L323 PolarHBondContact O-N 3.34Å; L321-W324 PolarHBondContact O-N 3.46Å; L321-L325 PolarHBondContact O-N 3.11Å |
| 322 | D | 84.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58 | -33.5 | 169.6 | 55.7 | -56.8 | 0 | 0 | 0 | 113 | S320 W324 L325 I326 S372 Y375 R499 | S320-D322 VanDerWaalsContact C-OD1 3.24Å; S320-D322 WeakPolarHBondContact CA-OD1 3.28Å; S320-D322 PolarHBondContact O-N 2.91Å; D322-W324 VanDerWaalsContact C-N 3.33Å; D322-W324 PolarHBondContact O-N 3.34Å; D322-L325 PolarHBondContact O-N 3.42Å; D322-I326 HydrophobicContact CB-CD1 4.06Å; D322-I326 WeakPolarHBondContact O-CB 3.42Å; D322-I326 WeakPolarHBondContact O-CD1 3.28Å; D322-I326 WeakPolarHBondContact O-CG1 3.48Å; D322-I326 PolarHBondContact O-N 3.12Å; D322-S372 WeakPolarHBondContact CB-O 3.47Å; D322-S372 VanDerWaalsContact OD1-CA 3.32Å; D322-S372 WeakPolarHBondContact OD1-CA 3.32Å; D322-S372 WeakPolarHBondContact OD1-CB 3.4Å; D322-Y375 VanDerWaalsContact OD2-CB 3.31Å; D322-Y375 WeakPolarHBondContact OD2-CB 3.46Å; D322-Y375 VanDerWaalsContact OD2-CD2 3.31Å; D322-Y375 WeakPolarHBondContact OD2-CD2 3.3Å; D322-R499 IonicContact OD1-CZ 3.4Å; D322-R499 IonicContact OD1-NH2 2.7Å; D322-R499 PolarHBondContact OD1-NH2 3.4Å; D322-R499 IonicContact OD2-CZ 3.96Å; D322-R499 IonicContact OD2-NE 2.91Å; D322-R499 PolarHBondContact OD2-NE 2.88Å; D322-R499 IonicContact OD2-NH2 2.74Å; D322-R499 PolarHBondContact OD2-NH2 3.25Å |
| 323 | L | 87.5 | Confident | 75 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 178.8 | -54.9 | -174 | 0 | 0 | 0 | 110.5 | I280 S320 L321 G327 G495 I496 R499 | I280-L323 HydrophobicContact CD1-CB 4Å; I280-L323 HydrophobicContact CD1-CD1 3.97Å; S320-L323 VanDerWaalsContact CB-CD1 3.48Å; S320-L323 WeakPolarHBondContact O-CA 2.8Å; S320-L323 WeakPolarHBondContact O-CB 3.38Å; S320-L323 WeakPolarHBondContact O-CG 2.85Å; S320-L323 PolarHBondContact O-N 2.89Å; L321-L323 PolarHBondContact O-N 3.34Å; L323-G327 PolarHBondContact O-N 3.42Å; L323-G495 VanDerWaalsContact CD2-C 3.42Å; L323-G495 WeakPolarHBondContact CD2-O 3.43Å; L323-I496 HydrophobicContact CB-CG1 4.4Å; L323-I496 HydrophobicContact CD1-CG1 4.16Å; L323-I496 HydrophobicContact CD2-CG1 4.28Å; L323-R499 HydrophobicContact CD2-CB 4.06Å |
| 324 | W | 86.4 | Confident | 76.6 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -50.4 | 176.6 | -62.6 | 94.4 | 0 | 0 | 0 | 111.5 | L263 L266 I280 F283 I284 W308 L321 D322 F328 | L263-W324 HydrophobicContact CD2-CH2 4.05Å; L263-W324 HydrophobicContact CD2-CZ2 4.32Å; L263-W324 HydrophobicContact CD2-CZ3 4.26Å; L266-W324 HydrophobicContact CD2-CH2 4.29Å; I280-W324 HydrophobicContact CB-CE3 4.34Å; I280-W324 HydrophobicContact CB-CH2 4.2Å; I280-W324 HydrophobicContact CB-CZ2 4.37Å; I280-W324 HydrophobicContact CB-CZ3 4.19Å; I280-W324 HydrophobicContact CD1-CZ2 4.42Å; I280-W324 HydrophobicContact CG1-CD2 3.92Å; I280-W324 HydrophobicContact CG1-CE3 4.18Å; I280-W324 HydrophobicContact CG1-CH2 3.73Å; I280-W324 HydrophobicContact CG1-CZ2 3.43Å; I280-W324 VanDerWaalsContact CG1-CZ2 3.43Å; I280-W324 HydrophobicContact CG1-CZ3 4.1Å; I280-W324 HydrophobicContact CG2-CD2 4.16Å; I280-W324 HydrophobicContact CG2-CE3 3.96Å; I280-W324 HydrophobicContact CG2-CZ3 4.25Å; F283-W324 HydrophobicContact CB-CH2 4.21Å; F283-W324 HydrophobicContact CB-CZ3 3.73Å; F283-W324 HydrophobicContact CD1-CE3 4.15Å; F283-W324 AromaticContact CD1-CZ3 3.56Å; F283-W324 HydrophobicContact CD1-CZ3 3.56Å; F283-W324 HydrophobicContact CE1-CZ3 4.37Å; F283-W324 HydrophobicContact CG-CH2 4.32Å; F283-W324 AromaticContact CG-CZ3 3.72Å; F283-W324 HydrophobicContact CG-CZ3 3.72Å; I284-W324 HydrophobicContact CG1-CE3 4.41Å; W308-W324 HydrophobicContact CE3-CB 4.44Å; W308-W324 HydrophobicContact CH2-CB 3.99Å; W308-W324 AromaticContact CH2-CD1 3.48Å; W308-W324 VanDerWaalsContact CH2-CD1 3.48Å; W308-W324 HydrophobicContact CH2-CD2 4.08Å; W308-W324 AromaticContact CH2-CG 3.59Å; W308-W324 HydrophobicContact CH2-CG 3.59Å; W308-W324 AromaticContact CH2-NE1 3.88Å; W308-W324 HydrophobicContact CZ3-CB 3.47Å; W308-W324 VanDerWaalsContact CZ3-CB 3.47Å; W308-W324 AromaticContact CZ3-CD1 3.91Å; W308-W324 HydrophobicContact CZ3-CD2 4.3Å; W308-W324 AromaticContact CZ3-CG 3.61Å; W308-W324 HydrophobicContact CZ3-CG 3.61Å; L321-W324 PolarHBondContact O-N 3.46Å; D322-W324 VanDerWaalsContact C-N 3.33Å; D322-W324 PolarHBondContact O-N 3.34Å; W324-F328 WeakPolarHBondContact O-CB 3.47Å; W324-F328 PolarHBondContact O-N 3.35Å |
| 325 | L | 89.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | -177.5 | 177.3 | 58.8 | 0 | 0 | 0 | 111.7 | L305 L309 L321 D322 Q329 A376 F380 | L305-L325 HydrophobicContact CB-CD1 3.91Å; L309-L325 HydrophobicContact CD1-CD2 3.74Å; L309-L325 HydrophobicContact CG-CD2 4.16Å; L321-L325 PolarHBondContact O-N 3.11Å; D322-L325 PolarHBondContact O-N 3.42Å; L325-Q329 VanDerWaalsContact O-CB 3.24Å; L325-Q329 WeakPolarHBondContact O-CB 3.07Å; L325-Q329 PolarHBondContact O-N 2.88Å; L325-A376 HydrophobicContact CD2-CB 4.12Å; L325-F380 HydrophobicContact CD1-CZ 4.32Å; L325-F380 HydrophobicContact CD2-CE2 3.98Å; L325-F380 HydrophobicContact CD2-CZ 3.75Å; L325-F380 HydrophobicContact CG-CZ 4.06Å |
| 326 | I | 90.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | -178 | -61.5 | 167.3 | 0 | 0 | 0 | 110.6 | D322 Q329 C330 F379 A494 I498 | D322-I326 HydrophobicContact CB-CD1 4.06Å; D322-I326 WeakPolarHBondContact O-CB 3.42Å; D322-I326 WeakPolarHBondContact O-CD1 3.28Å; D322-I326 WeakPolarHBondContact O-CG1 3.48Å; D322-I326 PolarHBondContact O-N 3.12Å; I326-Q329 PolarHBondContact O-N 3.09Å; I326-C330 WeakPolarHBondContact O-CB 3.31Å; I326-C330 PolarHBondContact O-N 2.78Å; I326-C330 PolarHBondContact O-SG 3.43Å; I326-F379 HydrophobicContact CB-CG 4.44Å; I326-F379 HydrophobicContact CD1-CB 3.86Å; I326-F379 HydrophobicContact CD1-CG 4.29Å; I326-F379 HydrophobicContact CG1-CB 3.87Å; I326-F379 HydrophobicContact CG1-CD1 3.97Å; I326-F379 HydrophobicContact CG1-CD2 4.38Å; I326-F379 HydrophobicContact CG1-CG 3.8Å; I326-F379 HydrophobicContact CG2-CD1 4.43Å; I326-F379 HydrophobicContact CG2-CD2 3.67Å; I326-F379 HydrophobicContact CG2-CE2 3.86Å; I326-F379 HydrophobicContact CG2-CG 3.98Å; I326-F379 HydrophobicContact CG2-CZ 4.32Å; I326-A494 HydrophobicContact CG2-CB 4.02Å; I326-I498 HydrophobicContact CD1-CD1 4.42Å; I326-I498 HydrophobicContact CG2-CD1 3.97Å |
| 327 | G | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L323 C330 E331 G491 P492 | L323-G327 PolarHBondContact O-N 3.42Å; G327-C330 PolarHBondContact O-N 2.79Å; G327-E331 PolarHBondContact O-N 3.44Å; G327-G491 WeakPolarHBondContact CA-O 3.31Å; G327-G491 CarbonylContact O-C 3.56Å; G327-P492 WeakPolarHBondContact CA-O 3.47Å |
| 328 | F | 90.9 | Very high | 82.4 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 179.8 | -171 | -90.8 | 0 | 0 | 0 | 111.5 | I284 L287 I292 V301 L302 L305 W324 C330 E331 M332 | I284-F328 HydrophobicContact CB-CD2 4.34Å; I284-F328 HydrophobicContact CD1-CB 4.29Å; I284-F328 HydrophobicContact CG1-CB 4.22Å; I284-F328 HydrophobicContact CG1-CD2 4.13Å; I284-F328 HydrophobicContact CG2-CB 4.38Å; I284-F328 HydrophobicContact CG2-CD2 3.9Å; L287-F328 HydrophobicContact CB-CE2 4.33Å; L287-F328 HydrophobicContact CD2-CD2 4.37Å; L287-F328 HydrophobicContact CD2-CE2 3.54Å; L287-F328 HydrophobicContact CD2-CZ 4.07Å; L287-F328 HydrophobicContact CG-CE2 3.95Å; L287-F328 HydrophobicContact CG-CZ 4.46Å; I292-F328 HydrophobicContact CD1-CE1 4.12Å; I292-F328 HydrophobicContact CD1-CE2 3.93Å; I292-F328 HydrophobicContact CD1-CZ 3.27Å; V301-F328 HydrophobicContact CB-CE1 4.27Å; V301-F328 HydrophobicContact CB-CZ 4.23Å; V301-F328 HydrophobicContact CG1-CE1 3.62Å; V301-F328 HydrophobicContact CG1-CE2 4.33Å; V301-F328 HydrophobicContact CG1-CZ 3.41Å; V301-F328 VanDerWaalsContact CG1-CZ 3.41Å; L302-F328 HydrophobicContact CD2-CD1 3.6Å; L302-F328 HydrophobicContact CD2-CE1 4.04Å; L302-F328 HydrophobicContact CG-CD1 4.21Å; L302-F328 HydrophobicContact CG-CE1 4.14Å; L305-F328 HydrophobicContact CD1-CB 3.93Å; L305-F328 HydrophobicContact CD1-CD1 3.45Å; L305-F328 VanDerWaalsContact CD1-CD1 3.45Å; L305-F328 HydrophobicContact CD1-CD2 4.17Å; L305-F328 HydrophobicContact CD1-CE1 3.87Å; L305-F328 HydrophobicContact CD1-CG 3.58Å; L305-F328 HydrophobicContact CD1-CZ 4.36Å; W324-F328 WeakPolarHBondContact O-CB 3.47Å; W324-F328 PolarHBondContact O-N 3.35Å; F328-C330 PolarHBondContact O-N 3.03Å; F328-E331 WeakPolarHBondContact O-CB 3.43Å; F328-E331 PolarHBondContact O-N 2.91Å; F328-M332 HydrophobicContact CD1-CG 3.86Å; F328-M332 HydrophobicContact CE1-CE 4.31Å; F328-M332 HydrophobicContact CE1-CG 3.65Å; F328-M332 HydrophobicContact CE1-SD 4.11Å; F328-M332 HydrophobicContact CE2-CE 4.2Å; F328-M332 HydrophobicContact CZ-CE 4.11Å; F328-M332 HydrophobicContact CZ-CG 4.32Å; F328-M332 HydrophobicContact CZ-SD 4.22Å; F328-M332 WeakPolarHBondContact O-CG 3.21Å; F328-M332 PolarHBondContact O-N 2.73Å |
| 329 | Q | 90.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.8 | -165.4 | 132.6 | -0.9 | 0 | 0 | 112 | L302 L325 I326 E331 M332 F333 M352 F379 | L302-Q329 HydrophobicContact CD2-CB 4Å; L302-Q329 HydrophobicContact CD2-CG 4.17Å; L325-Q329 VanDerWaalsContact O-CB 3.24Å; L325-Q329 WeakPolarHBondContact O-CB 3.07Å; L325-Q329 PolarHBondContact O-N 2.88Å; I326-Q329 PolarHBondContact O-N 3.09Å; Q329-E331 VanDerWaalsContact C-N 3.28Å; Q329-E331 PolarHBondContact O-N 3.5Å; Q329-M332 PolarHBondContact O-N 2.74Å; Q329-M332 VanDerWaalsContact O-N 3.16Å; Q329-F333 HydrophobicContact CG-CD2 3.85Å; Q329-F333 HydrophobicContact CG-CE2 3.73Å; Q329-F333 VanDerWaalsContact O-CD2 3.27Å; Q329-F333 WeakPolarHBondContact O-CD2 3.5Å; Q329-F333 PolarHBondContact O-N 2.81Å; Q329-M352 PolarHBondContact NE2-SD 2.94Å; Q329-F379 HydrophobicContact CB-CE1 4.1Å; Q329-F379 HydrophobicContact CB-CZ 4.19Å; Q329-F379 HydrophobicContact CG-CE1 3.89Å; Q329-F379 HydrophobicContact CG-CZ 4.02Å |
| 330 | C | 90.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.9 | -29.8 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | I326 G327 F328 R334 G491 A494 | I326-C330 WeakPolarHBondContact O-CB 3.31Å; I326-C330 PolarHBondContact O-N 2.78Å; I326-C330 PolarHBondContact O-SG 3.43Å; G327-C330 PolarHBondContact O-N 2.79Å; F328-C330 PolarHBondContact O-N 3.03Å; C330-R334 PolarHBondContact O-N 3.2Å; C330-R334 PolarHBondContact O-NH2 2.94Å; C330-G491 WeakPolarHBondContact CB-O 3.4Å; C330-A494 HydrophobicContact CB-CB 3.62Å; C330-A494 WeakPolarHBondContact SG-CB 3.37Å |
| 331 | E | 91.4 | Very high | 82.1 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 168.3 | -175 | 60.2 | -153.3 | 0 | 0 | 112 | I284 G327 F328 Q329 R334 R335 P492 | I284-E331 HydrophobicContact CG2-CB 3.73Å; I284-E331 HydrophobicContact CG2-CG 3.9Å; G327-E331 PolarHBondContact O-N 3.44Å; F328-E331 WeakPolarHBondContact O-CB 3.43Å; F328-E331 PolarHBondContact O-N 2.91Å; Q329-E331 VanDerWaalsContact C-N 3.28Å; Q329-E331 PolarHBondContact O-N 3.5Å; E331-R334 PolarHBondContact O-N 3Å; E331-R334 IonicContact OE1-NH1 2.92Å; E331-R334 IonicContact OE2-CZ 3.33Å; E331-R334 IonicContact OE2-NH1 2.71Å; E331-R334 PolarHBondContact OE2-NH1 3.43Å; E331-R334 IonicContact OE2-NH2 2.94Å; E331-R334 PolarHBondContact OE2-NH2 3.04Å; E331-R335 PolarHBondContact O-N 2.91Å; E331-R335 IonicContact OE1-CZ 3.12Å; E331-R335 VanDerWaalsContact OE1-CZ 3.3Å; E331-R335 IonicContact OE1-NE 3.83Å; E331-R335 PolarHBondContact OE1-NE 3.02Å; E331-R335 IonicContact OE1-NH2 2.63Å; E331-R335 PolarHBondContact OE1-NH2 2.95Å; E331-P492 HydrophobicContact CB-CG 4.45Å; E331-P492 VanDerWaalsContact OE2-CD 3.26Å; E331-P492 WeakPolarHBondContact OE2-CD 3.48Å |
| 332 | M | 89.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | -178.9 | -68.3 | -51.6 | 101.1 | 0 | 0 | 112.1 | I292 C298 L302 F328 Q329 R334 R335 F336 W348 | I292-M332 HydrophobicContact CB-SD 4.49Å; I292-M332 HydrophobicContact CD1-CE 3.69Å; I292-M332 HydrophobicContact CD1-SD 3.38Å; I292-M332 WeakPolarHBondContact CD1-SD 3.29Å; I292-M332 HydrophobicContact CG2-SD 4.01Å; C298-M332 WeakPolarHBondContact SG-CG 3.12Å; C298-M332 VanDerWaalsContact SG-SD 3.64Å; L302-M332 HydrophobicContact CD1-CB 4.48Å; L302-M332 HydrophobicContact CD1-CG 4.37Å; F328-M332 HydrophobicContact CD1-CG 3.86Å; F328-M332 HydrophobicContact CE1-CE 4.31Å; F328-M332 HydrophobicContact CE1-CG 3.65Å; F328-M332 HydrophobicContact CE1-SD 4.11Å; F328-M332 HydrophobicContact CE2-CE 4.2Å; F328-M332 HydrophobicContact CZ-CE 4.11Å; F328-M332 HydrophobicContact CZ-CG 4.32Å; F328-M332 HydrophobicContact CZ-SD 4.22Å; F328-M332 WeakPolarHBondContact O-CG 3.21Å; F328-M332 PolarHBondContact O-N 2.73Å; Q329-M332 PolarHBondContact O-N 2.74Å; Q329-M332 VanDerWaalsContact O-N 3.16Å; M332-R334 VanDerWaalsContact C-N 3.27Å; M332-R334 PolarHBondContact O-N 3.13Å; M332-R335 PolarHBondContact O-N 2.91Å; M332-R335 VanDerWaalsContact O-N 3.14Å; M332-F336 PolarHBondContact O-N 3.14Å; M332-F336 HydrophobicContact SD-CE2 4.44Å; M332-W348 HydrophobicContact CB-CH2 3.88Å; M332-W348 HydrophobicContact CB-CZ2 4.37Å |
| 333 | F | 86.4 | Confident | 81.1 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.044 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -33.3 | 175.2 | -88.1 | -72.3 | 0 | 0 | 0 | 112.8 | Q329 R335 F336 P337 P338 W348 M352 L484 T488 | Q329-F333 HydrophobicContact CG-CD2 3.85Å; Q329-F333 HydrophobicContact CG-CE2 3.73Å; Q329-F333 VanDerWaalsContact O-CD2 3.27Å; Q329-F333 WeakPolarHBondContact O-CD2 3.5Å; Q329-F333 PolarHBondContact O-N 2.81Å; F333-R335 VanDerWaalsContact C-N 3.32Å; F333-F336 CarbonylContact O-C 3.41Å; F333-P337 VanDerWaalsContact O-CA 3.28Å; F333-P337 WeakPolarHBondContact O-CA 3.48Å; F333-P338 HydrophobicContact CD1-CG 4.5Å; F333-W348 HydrophobicContact CD1-CD2 4.12Å; F333-W348 HydrophobicContact CD1-CE3 4.29Å; F333-W348 HydrophobicContact CD1-CZ2 4.37Å; F333-W348 HydrophobicContact CD1-CZ3 4.48Å; F333-W348 HydrophobicContact CD2-CE3 4.4Å; F333-W348 HydrophobicContact CD2-CH2 4.22Å; F333-W348 HydrophobicContact CD2-CZ3 4Å; F333-W348 HydrophobicContact CE1-CB 4.16Å; F333-W348 AromaticContact CE1-CD2 3.46Å; F333-W348 HydrophobicContact CE1-CD2 3.46Å; F333-W348 VanDerWaalsContact CE1-CD2 3.46Å; F333-W348 AromaticContact CE1-CE2 3.97Å; F333-W348 AromaticContact CE1-CE3 3.52Å; F333-W348 HydrophobicContact CE1-CE3 3.52Å; F333-W348 AromaticContact CE1-CG 3.78Å; F333-W348 HydrophobicContact CE1-CG 3.78Å; F333-W348 HydrophobicContact CE1-CZ2 4.47Å; F333-W348 HydrophobicContact CE1-CZ3 4.06Å; F333-W348 HydrophobicContact CE2-CD2 4.42Å; F333-W348 AromaticContact CE2-CE3 3.66Å; F333-W348 HydrophobicContact CE2-CE3 3.66Å; F333-W348 HydrophobicContact CE2-CH2 4.21Å; F333-W348 AromaticContact CE2-CZ3 3.53Å; F333-W348 HydrophobicContact CE2-CZ3 3.53Å; F333-W348 HydrophobicContact CG-CH2 4.38Å; F333-W348 HydrophobicContact CG-CZ3 4.45Å; F333-W348 HydrophobicContact CZ-CB 4.42Å; F333-W348 AromaticContact CZ-CD2 3.65Å; F333-W348 HydrophobicContact CZ-CD2 3.65Å; F333-W348 AromaticContact CZ-CE3 3.15Å; F333-W348 HydrophobicContact CZ-CE3 3.15Å; F333-W348 HydrophobicContact CZ-CG 4.22Å; F333-W348 HydrophobicContact CZ-CH2 4.36Å; F333-W348 AromaticContact CZ-CZ3 3.57Å; F333-W348 HydrophobicContact CZ-CZ3 3.57Å; F333-M352 HydrophobicContact CE2-SD 4.05Å; F333-M352 HydrophobicContact CZ-CG 4.25Å; F333-M352 HydrophobicContact CZ-SD 4.12Å; F333-L484 HydrophobicContact CD1-CD2 3.95Å; F333-L484 HydrophobicContact CD2-CD1 3.99Å; F333-L484 HydrophobicContact CE1-CD2 3.83Å; F333-L484 HydrophobicContact CE2-CD1 4.14Å; F333-L484 HydrophobicContact CG-CD1 4.26Å; F333-L484 HydrophobicContact CG-CD2 4.37Å; F333-L484 HydrophobicContact CZ-CD2 4.13Å; F333-T488 HydrophobicContact CB-CG2 3.58Å; F333-T488 HydrophobicContact CG-CG2 4.45Å |
| 334 | R | 85 | Confident | 80.3 | Confident | 106 Ų | 106 | 41.2 Ų | 41.2 | 40% | 0.4 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.2 | -34.8 | 175.9 | -161.1 | -172.2 | -43.1 | 103.4 | 49.2 | 111.8 | C330 E331 M332 T488 | C330-R334 PolarHBondContact O-N 3.2Å; C330-R334 PolarHBondContact O-NH2 2.94Å; E331-R334 PolarHBondContact O-N 3Å; E331-R334 IonicContact OE1-NH1 2.92Å; E331-R334 IonicContact OE2-CZ 3.33Å; E331-R334 IonicContact OE2-NH1 2.71Å; E331-R334 PolarHBondContact OE2-NH1 3.43Å; E331-R334 IonicContact OE2-NH2 2.94Å; E331-R334 PolarHBondContact OE2-NH2 3.04Å; M332-R334 VanDerWaalsContact C-N 3.27Å; M332-R334 PolarHBondContact O-N 3.13Å; R334-T488 PolarHBondContact NE-O 2.85Å |
| 335 | R | 82.3 | Confident | 79.8 | Confident | 82 Ų | 82 | 42.4 Ų | 42.4 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -83 | -36.6 | -179.3 | -68.4 | -171.3 | -178.9 | -164.3 | 6 | 113.9 | S288 E331 M332 F333 P337 | S288-R335 VanDerWaalsContact CB-CZ 3.5Å; S288-R335 PolarHBondContact O-NH1 2.86Å; S288-R335 PolarHBondContact OG-NH1 3.05Å; S288-R335 PolarHBondContact OG-NH2 3.41Å; E331-R335 PolarHBondContact O-N 2.91Å; E331-R335 IonicContact OE1-CZ 3.12Å; E331-R335 VanDerWaalsContact OE1-CZ 3.3Å; E331-R335 IonicContact OE1-NE 3.83Å; E331-R335 PolarHBondContact OE1-NE 3.02Å; E331-R335 IonicContact OE1-NH2 2.63Å; E331-R335 PolarHBondContact OE1-NH2 2.95Å; M332-R335 PolarHBondContact O-N 2.91Å; M332-R335 VanDerWaalsContact O-N 3.14Å; F333-R335 VanDerWaalsContact C-N 3.32Å; R335-P337 VanDerWaalsContact O-CD 3.23Å; R335-P337 WeakPolarHBondContact O-CD 3.43Å |
| 336 | F | 80.8 | Confident | 79.2 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -118.4 | 64.8 | 179.4 | -56.3 | -75.1 | 0 | 0 | 0 | 109.6 | I292 M332 F333 W348 | I292-F336 HydrophobicContact CG2-CE2 3.86Å; I292-F336 HydrophobicContact CG2-CZ 4.25Å; M332-F336 PolarHBondContact O-N 3.14Å; M332-F336 HydrophobicContact SD-CE2 4.44Å; F333-F336 CarbonylContact O-C 3.41Å; F336-W348 HydrophobicContact CB-CZ2 4.44Å; F336-W348 PolarHBondContact O-NE1 3.29Å |
| 337 | P | 74.4 | Confident | 78.7 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | trans | -61.3 | 138.3 | -177.2 | 25.1 | -33 | 0 | 0 | 0 | 110.1 | F333 R335 T339 L344 | F333-P337 VanDerWaalsContact O-CA 3.28Å; F333-P337 WeakPolarHBondContact O-CA 3.48Å; R335-P337 VanDerWaalsContact O-CD 3.23Å; R335-P337 WeakPolarHBondContact O-CD 3.43Å; P337-T339 PolarHBondContact O-N 3.32Å; P337-L344 WeakPolarHBondContact O-CD2 3.32Å | ||
| 338 | P | 68.2 | Low | 78.2 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -69.9 | -2.7 | -178.1 | 26.8 | -33.1 | 0 | 0 | 0 | 113.3 | F333 G340 T345 | F333-P338 HydrophobicContact CD1-CG 4.5Å; P338-G340 PolarHBondContact O-N 2.87Å; P338-T345 HydrophobicContact CB-CG2 4.38Å; P338-T345 PolarHBondContact O-OG1 2.97Å |
| 339 | T | 63.2 | Low | 77.6 | Confident | 121 Ų | 121 | 50.3 Ų | 50.3 | 74% | 0.742 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 106.4 | -176 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | P337 | P337-T339 PolarHBondContact O-N 3.32Š|
| 340 | G | 59.2 | Low | 77.1 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 90% | 0.897 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138.4 | -18.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P338 | P338-G340 PolarHBondContact O-N 2.87Š|
| 341 | S | 63.8 | Low | 76.7 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | trans | -137.8 | 115.9 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | S343 L344 T345 | S341-S343 PolarHBondContact O-N 2.62Å; S341-S343 VanDerWaalsContact O-N 3.17Å; S341-L344 WeakPolarHBondContact O-CB 3.42Å; S341-L344 PolarHBondContact O-N 3.19Å; S341-L344 PolarHBondContact OG-N 2.95Å; S341-T345 PolarHBondContact O-N 2.89Å; S341-T345 VanDerWaalsContact O-N 3.11Å; S341-T345 PolarHBondContact O-OG1 3.31Å; S341-T345 VanDerWaalsContact O-OG1 3.09Å | ||
| 342 | Q | 69.2 | Low | 76.3 | Confident | 122 Ų | 122 | 56.7 Ų | 56.7 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -55.1 | -34.7 | 177.5 | -169.5 | 64.9 | 48.6 | 0 | 0 | 112.2 | N346 | Q342-N346 PolarHBondContact NE2-OD1 3.04Å; Q342-N346 WeakPolarHBondContact O-CB 3.29Å; Q342-N346 PolarHBondContact O-N 2.84Å; Q342-N346 VanDerWaalsContact O-N 3.07Å; Q342-N346 PolarHBondContact O-ND2 3.36Å; Q342-N346 PolarHBondContact O-OD1 2.95Å |
| 343 | S | 72.5 | Confident | 75.8 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | S341 N346 C347 | S341-S343 PolarHBondContact O-N 2.62Å; S341-S343 VanDerWaalsContact O-N 3.17Å; S343-N346 PolarHBondContact O-N 2.84Å; S343-C347 PolarHBondContact O-N 3.31Å; S343-C347 PolarHBondContact O-SG 3.19Å |
| 344 | L | 71.7 | Confident | 75.8 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | -179.8 | -164.7 | 71.8 | 0 | 0 | 0 | 111.9 | I295 P337 S341 N346 C347 W348 | I295-L344 HydrophobicContact CD1-CD1 3.2Å; I295-L344 HydrophobicContact CD1-CG 4.32Å; P337-L344 WeakPolarHBondContact O-CD2 3.32Å; S341-L344 WeakPolarHBondContact O-CB 3.42Å; S341-L344 PolarHBondContact O-N 3.19Å; S341-L344 PolarHBondContact OG-N 2.95Å; L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 2.99Å; L344-C347 PolarHBondContact O-N 3.17Å; L344-W348 PolarHBondContact O-N 2.99Å |
| 345 | T | 75 | Confident | 75.8 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 18% | 0.184 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.6 | -41.1 | 0 | 0 | 0 | 0 | 111.1 | P338 S341 S349 | P338-T345 HydrophobicContact CB-CG2 4.38Å; P338-T345 PolarHBondContact O-OG1 2.97Å; S341-T345 PolarHBondContact O-N 2.89Å; S341-T345 VanDerWaalsContact O-N 3.11Å; S341-T345 PolarHBondContact O-OG1 3.31Å; S341-T345 VanDerWaalsContact O-OG1 3.09Å; T345-S349 WeakPolarHBondContact O-CB 3.31Å; T345-S349 PolarHBondContact O-N 3.24Å |
| 346 | N | 76.8 | Confident | 75.9 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 177.9 | -67.6 | -6.4 | 0 | 0 | 0 | 111.2 | Q342 S343 L344 W348 S349 D350 | Q342-N346 PolarHBondContact NE2-OD1 3.04Å; Q342-N346 WeakPolarHBondContact O-CB 3.29Å; Q342-N346 PolarHBondContact O-N 2.84Å; Q342-N346 VanDerWaalsContact O-N 3.07Å; Q342-N346 PolarHBondContact O-ND2 3.36Å; Q342-N346 PolarHBondContact O-OD1 2.95Å; S343-N346 PolarHBondContact O-N 2.84Å; L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 2.99Å; N346-W348 VanDerWaalsContact C-N 3.35Å; N346-W348 PolarHBondContact O-N 3.35Å; N346-S349 WeakPolarHBondContact O-CB 3.01Å; N346-S349 PolarHBondContact O-N 3.27Å; N346-S349 VanDerWaalsContact O-N 3.1Å; N346-D350 PolarHBondContact O-N 2.91Å |
| 347 | C | 79.6 | Confident | 76 | Confident | 54 Ų | 54 | 53 Ų | 53 | 37% | 0.365 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 177.3 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | F299 S343 L344 D350 F351 | F299-C347 HydrophobicContact CE2-CB 3.96Å; F299-C347 HydrophobicContact CZ-CB 4.1Å; S343-C347 PolarHBondContact O-N 3.31Å; S343-C347 PolarHBondContact O-SG 3.19Å; L344-C347 PolarHBondContact O-N 3.17Å; C347-D350 PolarHBondContact O-N 2.76Å; C347-F351 VanDerWaalsContact O-CB 3.3Å; C347-F351 WeakPolarHBondContact O-CB 3.5Å; C347-F351 PolarHBondContact O-N 3.35Å |
| 348 | W | 81.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.019 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.1 | -85.8 | 113.4 | 0 | 0 | 0 | 112 | F299 L302 M332 F333 F336 L344 N346 F351 M352 | F299-W348 AromaticContact CE1-CD2 3.91Å; F299-W348 HydrophobicContact CE1-CD2 3.91Å; F299-W348 AromaticContact CE1-CE3 3.71Å; F299-W348 HydrophobicContact CE1-CE3 3.71Å; F299-W348 HydrophobicContact CE1-CH2 4.27Å; F299-W348 HydrophobicContact CE1-CZ2 4.44Å; F299-W348 AromaticContact CE1-CZ3 3.91Å; F299-W348 HydrophobicContact CE1-CZ3 3.91Å; F299-W348 HydrophobicContact CZ-CD2 4.11Å; F299-W348 HydrophobicContact CZ-CE3 4.35Å; F299-W348 HydrophobicContact CZ-CG 4.35Å; L302-W348 HydrophobicContact CD1-CH2 3.7Å; L302-W348 HydrophobicContact CD1-CZ3 3.74Å; M332-W348 HydrophobicContact CB-CH2 3.88Å; M332-W348 HydrophobicContact CB-CZ2 4.37Å; F333-W348 HydrophobicContact CD1-CD2 4.12Å; F333-W348 HydrophobicContact CD1-CE3 4.29Å; F333-W348 HydrophobicContact CD1-CZ2 4.37Å; F333-W348 HydrophobicContact CD1-CZ3 4.48Å; F333-W348 HydrophobicContact CD2-CE3 4.4Å; F333-W348 HydrophobicContact CD2-CH2 4.22Å; F333-W348 HydrophobicContact CD2-CZ3 4Å; F333-W348 HydrophobicContact CE1-CB 4.16Å; F333-W348 AromaticContact CE1-CD2 3.46Å; F333-W348 HydrophobicContact CE1-CD2 3.46Å; F333-W348 VanDerWaalsContact CE1-CD2 3.46Å; F333-W348 AromaticContact CE1-CE2 3.97Å; F333-W348 AromaticContact CE1-CE3 3.52Å; F333-W348 HydrophobicContact CE1-CE3 3.52Å; F333-W348 AromaticContact CE1-CG 3.78Å; F333-W348 HydrophobicContact CE1-CG 3.78Å; F333-W348 HydrophobicContact CE1-CZ2 4.47Å; F333-W348 HydrophobicContact CE1-CZ3 4.06Å; F333-W348 HydrophobicContact CE2-CD2 4.42Å; F333-W348 AromaticContact CE2-CE3 3.66Å; F333-W348 HydrophobicContact CE2-CE3 3.66Å; F333-W348 HydrophobicContact CE2-CH2 4.21Å; F333-W348 AromaticContact CE2-CZ3 3.53Å; F333-W348 HydrophobicContact CE2-CZ3 3.53Å; F333-W348 HydrophobicContact CG-CH2 4.38Å; F333-W348 HydrophobicContact CG-CZ3 4.45Å; F333-W348 HydrophobicContact CZ-CB 4.42Å; F333-W348 AromaticContact CZ-CD2 3.65Å; F333-W348 HydrophobicContact CZ-CD2 3.65Å; F333-W348 AromaticContact CZ-CE3 3.15Å; F333-W348 HydrophobicContact CZ-CE3 3.15Å; F333-W348 HydrophobicContact CZ-CG 4.22Å; F333-W348 HydrophobicContact CZ-CH2 4.36Å; F333-W348 AromaticContact CZ-CZ3 3.57Å; F333-W348 HydrophobicContact CZ-CZ3 3.57Å; F336-W348 HydrophobicContact CB-CZ2 4.44Å; F336-W348 PolarHBondContact O-NE1 3.29Å; L344-W348 PolarHBondContact O-N 2.99Å; N346-W348 VanDerWaalsContact C-N 3.35Å; N346-W348 PolarHBondContact O-N 3.35Å; W348-F351 PolarHBondContact O-N 3.33Å; W348-M352 WeakPolarHBondContact O-CB 3.49Å; W348-M352 WeakPolarHBondContact O-CG 3.36Å; W348-M352 PolarHBondContact O-N 3.45Å |
| 349 | S | 78.5 | Confident | 77.4 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 178.2 | -162.4 | 0 | 0 | 0 | 0 | 111.9 | T345 N346 M352 C353 Y391 | T345-S349 WeakPolarHBondContact O-CB 3.31Å; T345-S349 PolarHBondContact O-N 3.24Å; N346-S349 WeakPolarHBondContact O-CB 3.01Å; N346-S349 PolarHBondContact O-N 3.27Å; N346-S349 VanDerWaalsContact O-N 3.1Å; S349-M352 PolarHBondContact O-N 2.69Å; S349-C353 WeakPolarHBondContact O-CB 3.36Å; S349-C353 PolarHBondContact O-N 3.46Å; S349-Y391 PolarHBondContact O-OH 3.48Å; S349-Y391 VanDerWaalsContact O-OH 3.09Å |
| 350 | D | 80 | Confident | 78.4 | Confident | 107 Ų | 107 | 44.7 Ų | 44.7 | 57% | 0.572 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 177 | -69 | -23.1 | 0 | 0 | 0 | 111.2 | N346 C347 C353 W354 | N346-D350 PolarHBondContact O-N 2.91Å; C347-D350 PolarHBondContact O-N 2.76Å; D350-C353 WeakPolarHBondContact O-CB 3.26Å; D350-C353 PolarHBondContact O-N 2.82Å; D350-W354 PolarHBondContact O-N 2.86Å |
| 351 | F | 83.5 | Confident | 79.5 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 178.3 | -174.7 | -101.9 | 0 | 0 | 0 | 112.5 | F299 L302 R303 C347 W348 C353 W354 Q355 | F299-F351 HydrophobicContact CB-CD2 4.29Å; F299-F351 HydrophobicContact CB-CE2 4.19Å; F299-F351 HydrophobicContact CD1-CB 4.03Å; F299-F351 AromaticContact CD1-CD1 3.68Å; F299-F351 HydrophobicContact CD1-CD1 3.68Å; F299-F351 AromaticContact CD1-CD2 3.68Å; F299-F351 HydrophobicContact CD1-CD2 3.68Å; F299-F351 HydrophobicContact CD1-CE1 4.04Å; F299-F351 HydrophobicContact CD1-CE2 4.05Å; F299-F351 AromaticContact CD1-CG 3.49Å; F299-F351 HydrophobicContact CD1-CG 3.49Å; F299-F351 VanDerWaalsContact CD1-CG 3.49Å; F299-F351 HydrophobicContact CD1-CZ 4.22Å; F299-F351 HydrophobicContact CE1-CB 3.7Å; F299-F351 AromaticContact CE1-CD1 3.8Å; F299-F351 HydrophobicContact CE1-CD1 3.8Å; F299-F351 HydrophobicContact CE1-CD2 4.24Å; F299-F351 AromaticContact CE1-CG 3.63Å; F299-F351 HydrophobicContact CE1-CG 3.63Å; F299-F351 HydrophobicContact CG-CD2 4.1Å; F299-F351 HydrophobicContact CG-CE2 4.42Å; F299-F351 HydrophobicContact CG-CG 4.32Å; F299-F351 HydrophobicContact CZ-CB 4.18Å; L302-F351 HydrophobicContact CB-CE1 3.56Å; L302-F351 HydrophobicContact CB-CZ 3.42Å; L302-F351 VanDerWaalsContact CB-CZ 3.42Å; L302-F351 HydrophobicContact CD1-CE1 3.85Å; L302-F351 HydrophobicContact CD1-CZ 4.45Å; L302-F351 HydrophobicContact CG-CE1 4.28Å; R303-F351 HydrophobicContact CB-CE2 4.25Å; R303-F351 HydrophobicContact CB-CZ 4.45Å; C347-F351 VanDerWaalsContact O-CB 3.3Å; C347-F351 WeakPolarHBondContact O-CB 3.5Å; C347-F351 PolarHBondContact O-N 3.35Å; W348-F351 PolarHBondContact O-N 3.33Å; F351-C353 PolarHBondContact O-N 3.18Å; F351-W354 HydrophobicContact CE2-CE3 4.16Å; F351-W354 HydrophobicContact CE2-CZ3 4.47Å; F351-W354 WeakPolarHBondContact O-CB 3.2Å; F351-W354 PolarHBondContact O-N 3.2Å; F351-Q355 HydrophobicContact CD1-CG 4.23Å; F351-Q355 HydrophobicContact CE1-CG 3.79Å; F351-Q355 VanDerWaalsContact CE1-OE1 3.25Å; F351-Q355 HydrophobicContact CZ-CG 3.98Å; F351-Q355 WeakPolarHBondContact O-CG 3.31Å; F351-Q355 PolarHBondContact O-N 3.35Å |
| 352 | M | 82.1 | Confident | 80.4 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -36.6 | 173.2 | -69.3 | -67.5 | -73.6 | 0 | 0 | 111.1 | Q329 F333 W348 S349 Q355 F356 F379 F380 S383 | Q329-M352 PolarHBondContact NE2-SD 2.94Å; F333-M352 HydrophobicContact CE2-SD 4.05Å; F333-M352 HydrophobicContact CZ-CG 4.25Å; F333-M352 HydrophobicContact CZ-SD 4.12Å; W348-M352 WeakPolarHBondContact O-CB 3.49Å; W348-M352 WeakPolarHBondContact O-CG 3.36Å; W348-M352 PolarHBondContact O-N 3.45Å; S349-M352 PolarHBondContact O-N 2.69Å; M352-Q355 PolarHBondContact O-N 2.85Å; M352-F356 VanDerWaalsContact O-CB 3.27Å; M352-F356 WeakPolarHBondContact O-CB 3.47Å; M352-F356 PolarHBondContact O-N 3.01Å; M352-F379 HydrophobicContact CE-CE1 4.38Å; M352-F380 HydrophobicContact CE-CD1 3.77Å; M352-F380 HydrophobicContact SD-CD1 4.12Å; M352-F380 HydrophobicContact SD-CE1 4.43Å; M352-S383 WeakPolarHBondContact CE-OG 3.29Å |
| 353 | C | 78.9 | Confident | 81.1 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 177.2 | -165 | 0 | 0 | 0 | 0 | 111.1 | S349 D350 F351 F356 K357 Y391 | S349-C353 WeakPolarHBondContact O-CB 3.36Å; S349-C353 PolarHBondContact O-N 3.46Å; D350-C353 WeakPolarHBondContact O-CB 3.26Å; D350-C353 PolarHBondContact O-N 2.82Å; F351-C353 PolarHBondContact O-N 3.18Å; C353-F356 PolarHBondContact O-N 3.1Å; C353-K357 WeakPolarHBondContact O-CG 3.48Å; C353-K357 PolarHBondContact O-N 3.45Å; C353-K357 VanDerWaalsContact SG-CE 3.57Å; C353-Y391 WeakPolarHBondContact CA-OH 3.44Å; C353-Y391 HydrophobicContact CB-CE1 3.96Å; C353-Y391 HydrophobicContact CB-CE2 4.46Å; C353-Y391 WeakPolarHBondContact CB-OH 3.5Å; C353-Y391 PolarHBondContact N-OH 2.95Å |
| 354 | W | 85.1 | Confident | 81.4 | Confident | 88 Ų | 88 | 34.1 Ų | 34.1 | 33% | 0.333 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60 | -48.3 | 175.3 | 177 | 83.5 | 0 | 0 | 0 | 111.7 | R303 T306 D350 F351 F356 K357 F358 | R303-W354 HydrophobicContact CB-CH2 4.45Å; R303-W354 HydrophobicContact CB-CZ3 4.32Å; R303-W354 HydrophobicContact CG-CH2 3.59Å; R303-W354 HydrophobicContact CG-CZ2 4.22Å; R303-W354 HydrophobicContact CG-CZ3 3.92Å; T306-W354 HydrophobicContact CG2-CZ3 4.18Å; D350-W354 PolarHBondContact O-N 2.86Å; F351-W354 HydrophobicContact CE2-CE3 4.16Å; F351-W354 HydrophobicContact CE2-CZ3 4.47Å; F351-W354 WeakPolarHBondContact O-CB 3.2Å; F351-W354 PolarHBondContact O-N 3.2Å; W354-F356 VanDerWaalsContact C-N 3.34Å; W354-F356 PolarHBondContact O-N 2.74Å; W354-K357 PolarHBondContact O-N 3.26Å; W354-F358 HydrophobicContact CH2-CG 4.42Å; W354-F358 HydrophobicContact CZ2-CD2 4.35Å; W354-F358 HydrophobicContact CZ2-CG 4.48Å; W354-F358 VanDerWaalsContact O-CB 3.29Å; W354-F358 WeakPolarHBondContact O-CB 3.48Å; W354-F358 PolarHBondContact O-N 2.91Å |
| 355 | Q | 86.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 178.3 | -69.6 | -179.6 | -64.7 | 0 | 0 | 111.5 | T306 F351 M352 F358 V359 F380 | T306-Q355 HydrophobicContact CG2-CB 4.21Å; T306-Q355 HydrophobicContact CG2-CG 4.01Å; T306-Q355 PolarHBondContact OG1-NE2 3.04Å; F351-Q355 HydrophobicContact CD1-CG 4.23Å; F351-Q355 HydrophobicContact CE1-CG 3.79Å; F351-Q355 VanDerWaalsContact CE1-OE1 3.25Å; F351-Q355 HydrophobicContact CZ-CG 3.98Å; F351-Q355 WeakPolarHBondContact O-CG 3.31Å; F351-Q355 PolarHBondContact O-N 3.35Å; M352-Q355 PolarHBondContact O-N 2.85Å; Q355-F358 PolarHBondContact O-N 3.36Å; Q355-V359 VanDerWaalsContact O-CG2 3.31Å; Q355-V359 WeakPolarHBondContact O-CG2 3.43Å; Q355-V359 PolarHBondContact O-N 3.27Å; Q355-F380 HydrophobicContact CB-CD1 4.26Å; Q355-F380 HydrophobicContact CB-CD2 4.3Å; Q355-F380 HydrophobicContact CB-CE1 4.08Å; Q355-F380 HydrophobicContact CB-CE2 4.11Å; Q355-F380 HydrophobicContact CB-CG 4.39Å; Q355-F380 HydrophobicContact CB-CZ 4.01Å; Q355-F380 HydrophobicContact CG-CE1 4.44Å; Q355-F380 HydrophobicContact CG-CZ 4.37Å |
| 356 | F | 84.5 | Confident | 81.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -51.3 | 177.1 | 166.5 | -107.7 | 0 | 0 | 0 | 112.3 | M352 C353 W354 F358 V359 L360 L377 F380 I381 Y391 I395 | M352-F356 VanDerWaalsContact O-CB 3.27Å; M352-F356 WeakPolarHBondContact O-CB 3.47Å; M352-F356 PolarHBondContact O-N 3.01Å; C353-F356 PolarHBondContact O-N 3.1Å; W354-F356 VanDerWaalsContact C-N 3.34Å; W354-F356 PolarHBondContact O-N 2.74Å; F356-F358 VanDerWaalsContact C-N 3.32Å; F356-F358 PolarHBondContact O-N 3Å; F356-V359 PolarHBondContact O-N 3.12Å; F356-L360 HydrophobicContact CD2-CD1 4.27Å; F356-L360 HydrophobicContact CD2-CG 4.5Å; F356-L360 HydrophobicContact CE1-CD1 3.86Å; F356-L360 HydrophobicContact CE2-CD1 3.36Å; F356-L360 HydrophobicContact CE2-CG 3.9Å; F356-L360 HydrophobicContact CZ-CD1 3.12Å; F356-L360 HydrophobicContact CZ-CG 4.13Å; F356-L360 PolarHBondContact O-N 3.04Å; F356-L360 VanDerWaalsContact O-N 3.11Å; F356-L377 HydrophobicContact CD2-CD1 4Å; F356-L377 HydrophobicContact CE2-CD1 3.88Å; F356-F380 HydrophobicContact CB-CB 4.33Å; F356-I381 HydrophobicContact CD2-CD1 4.4Å; F356-I381 HydrophobicContact CD2-CG1 3.59Å; F356-I381 HydrophobicContact CE2-CD1 3.72Å; F356-I381 HydrophobicContact CE2-CG1 3.32Å; F356-I381 HydrophobicContact CZ-CG1 4.4Å; F356-Y391 HydrophobicContact CB-CE1 4.32Å; F356-Y391 AromaticContact CD1-CD1 3.82Å; F356-Y391 HydrophobicContact CD1-CD1 3.82Å; F356-Y391 AromaticContact CD1-CE1 3.94Å; F356-Y391 HydrophobicContact CD1-CE1 3.94Å; F356-Y391 HydrophobicContact CE1-CD1 4.14Å; F356-Y391 HydrophobicContact CG-CD1 4.44Å; F356-Y391 HydrophobicContact CG-CE1 4.29Å; F356-I395 HydrophobicContact CE1-CG1 3.68Å; F356-I395 HydrophobicContact CE2-CG1 4.28Å; F356-I395 HydrophobicContact CZ-CB 4.08Å; F356-I395 HydrophobicContact CZ-CG1 3.33Å |
| 357 | K | 81.9 | Confident | 81.5 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 27% | 0.265 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 177.7 | -72.5 | 178.3 | -176.2 | -169.2 | 0 | 111.2 | C353 W354 V359 L360 E361 D394 | C353-K357 WeakPolarHBondContact O-CG 3.48Å; C353-K357 PolarHBondContact O-N 3.45Å; C353-K357 VanDerWaalsContact SG-CE 3.57Å; W354-K357 PolarHBondContact O-N 3.26Å; K357-V359 PolarHBondContact O-N 3.2Å; K357-L360 PolarHBondContact O-N 3.3Å; K357-E361 WeakPolarHBondContact O-CG 3.2Å; K357-E361 PolarHBondContact O-N 3.38Å; K357-D394 WeakPolarHBondContact CE-OD1 3.47Å; K357-D394 WeakPolarHBondContact CE-OD2 3.38Å; K357-D394 IonicContact NZ-OD1 2.82Å; K357-D394 PolarHBondContact NZ-OD1 2.93Å; K357-D394 VanDerWaalsContact NZ-OD1 3.15Å; K357-D394 IonicContact NZ-OD2 2.82Å; K357-D394 PolarHBondContact NZ-OD2 3.06Å |
| 358 | F | 85.4 | Confident | 81.5 | Confident | 40 Ų | 40 | 39 Ų | 39 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 178.9 | 176.9 | -96.8 | 0 | 0 | 0 | 112.5 | T306 L307 T310 W354 Q355 F356 L360 E361 L362 | T306-F358 HydrophobicContact CG2-CD1 3.71Å; T306-F358 HydrophobicContact CG2-CE1 4.13Å; L307-F358 HydrophobicContact CD2-CE1 4.27Å; L307-F358 HydrophobicContact CD2-CE2 3.61Å; L307-F358 HydrophobicContact CD2-CZ 3.44Å; L307-F358 VanDerWaalsContact CD2-CZ 3.44Å; T310-F358 HydrophobicContact CG2-CE1 4.02Å; T310-F358 HydrophobicContact CG2-CE2 4.34Å; T310-F358 HydrophobicContact CG2-CZ 3.37Å; W354-F358 HydrophobicContact CH2-CG 4.42Å; W354-F358 HydrophobicContact CZ2-CD2 4.35Å; W354-F358 HydrophobicContact CZ2-CG 4.48Å; W354-F358 VanDerWaalsContact O-CB 3.29Å; W354-F358 WeakPolarHBondContact O-CB 3.48Å; W354-F358 PolarHBondContact O-N 2.91Å; Q355-F358 PolarHBondContact O-N 3.36Å; F356-F358 VanDerWaalsContact C-N 3.32Å; F356-F358 PolarHBondContact O-N 3Å; F358-L360 VanDerWaalsContact C-N 3.35Å; F358-L360 PolarHBondContact O-N 3.49Å; F358-E361 PolarHBondContact O-N 2.94Å; F358-L362 HydrophobicContact CE1-CD2 4.34Å; F358-L362 VanDerWaalsContact O-CB 3.3Å; F358-L362 WeakPolarHBondContact O-CB 3.5Å; F358-L362 PolarHBondContact O-N 3.14Å |
| 359 | V | 86.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | -179.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | T306 L309 Q355 F356 K357 L362 M363 T373 L377 F380 | T306-V359 HydrophobicContact CG2-CG2 4.44Å; L309-V359 HydrophobicContact CD1-CG2 3.67Å; Q355-V359 VanDerWaalsContact O-CG2 3.31Å; Q355-V359 WeakPolarHBondContact O-CG2 3.43Å; Q355-V359 PolarHBondContact O-N 3.27Å; F356-V359 PolarHBondContact O-N 3.12Å; K357-V359 PolarHBondContact O-N 3.2Å; V359-L362 WeakPolarHBondContact O-CB 3.33Å; V359-L362 PolarHBondContact O-N 3.3Å; V359-M363 HydrophobicContact CG1-SD 4.27Å; V359-M363 VanDerWaalsContact O-CG 3.28Å; V359-M363 WeakPolarHBondContact O-CG 3.18Å; V359-M363 PolarHBondContact O-N 3.25Å; V359-T373 HydrophobicContact CG1-CG2 3.72Å; V359-L377 HydrophobicContact CG1-CB 3.9Å; V359-L377 HydrophobicContact CG1-CD1 4.15Å; V359-F380 HydrophobicContact CG2-CD2 3.95Å; V359-F380 HydrophobicContact CG2-CE2 3.83Å |
| 360 | L | 83.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -43.9 | 175.9 | -77.8 | -178.9 | 0 | 0 | 0 | 113.1 | F356 K357 F358 L362 M363 G364 L377 H398 L399 | F356-L360 HydrophobicContact CD2-CD1 4.27Å; F356-L360 HydrophobicContact CD2-CG 4.5Å; F356-L360 HydrophobicContact CE1-CD1 3.86Å; F356-L360 HydrophobicContact CE2-CD1 3.36Å; F356-L360 HydrophobicContact CE2-CG 3.9Å; F356-L360 HydrophobicContact CZ-CD1 3.12Å; F356-L360 HydrophobicContact CZ-CG 4.13Å; F356-L360 PolarHBondContact O-N 3.04Å; F356-L360 VanDerWaalsContact O-N 3.11Å; K357-L360 PolarHBondContact O-N 3.3Å; F358-L360 VanDerWaalsContact C-N 3.35Å; F358-L360 PolarHBondContact O-N 3.49Å; L360-L362 VanDerWaalsContact C-N 3.26Å; L360-L362 PolarHBondContact O-N 3.47Å; L360-M363 PolarHBondContact O-N 3.45Å; L360-G364 PolarHBondContact O-N 3.5Å; L360-L377 HydrophobicContact CD2-CD1 3.55Å; L360-L377 HydrophobicContact CD2-CD2 3.85Å; L360-L377 HydrophobicContact CD2-CG 4.37Å; L360-L377 HydrophobicContact CG-CD1 3.7Å; L360-H398 HydrophobicContact CB-CB 3.8Å; L360-H398 HydrophobicContact CD1-CB 3.57Å; L360-H398 HydrophobicContact CG-CB 4.34Å; L360-L399 HydrophobicContact CD1-CB 4.3Å; L360-L399 HydrophobicContact CD2-CB 4.47Å; L360-L399 HydrophobicContact CD2-CD1 3.91Å |
| 361 | E | 82.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 35.2 Ų | 35.2 | 38% | 0.379 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.2 | -78 | -172.4 | -152.5 | 0 | 0 | 111.3 | K357 F358 G364 R365 | K357-E361 WeakPolarHBondContact O-CG 3.2Å; K357-E361 PolarHBondContact O-N 3.38Å; F358-E361 PolarHBondContact O-N 2.94Å; E361-G364 PolarHBondContact O-N 3.41Å; E361-R365 WeakPolarHBondContact O-CG 3.27Å; E361-R365 PolarHBondContact O-N 2.89Å; E361-R365 VanDerWaalsContact O-N 3.11Å; E361-R365 IonicContact OE2-NH2 3.18Å; E361-R365 PolarHBondContact OE2-NH2 2.87Å |
| 362 | L | 82.2 | Confident | 81.5 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -50.6 | 175.8 | 176.2 | 58.8 | 0 | 0 | 0 | 111.1 | F199 L309 T310 F358 V359 L360 G364 R365 L366 T373 | F199-L362 HydrophobicContact CE2-CD1 4.13Å; F199-L362 HydrophobicContact CZ-CD1 4.05Å; L309-L362 HydrophobicContact CB-CD2 3.68Å; L309-L362 WeakPolarHBondContact O-CD2 3.3Å; T310-L362 HydrophobicContact CG2-CD1 3.91Å; T310-L362 HydrophobicContact CG2-CD2 3.96Å; F358-L362 HydrophobicContact CE1-CD2 4.34Å; F358-L362 VanDerWaalsContact O-CB 3.3Å; F358-L362 WeakPolarHBondContact O-CB 3.5Å; F358-L362 PolarHBondContact O-N 3.14Å; V359-L362 WeakPolarHBondContact O-CB 3.33Å; V359-L362 PolarHBondContact O-N 3.3Å; L360-L362 VanDerWaalsContact C-N 3.26Å; L360-L362 PolarHBondContact O-N 3.47Å; L362-G364 PolarHBondContact O-N 3.44Å; L362-R365 PolarHBondContact O-N 2.93Å; L362-L366 HydrophobicContact CD1-CD1 4.2Å; L362-L366 HydrophobicContact CD1-CD2 4.27Å; L362-L366 HydrophobicContact CD1-CG 4.03Å; L362-L366 HydrophobicContact CG-CD1 4.06Å; L362-L366 HydrophobicContact CG-CG 4.35Å; L362-L366 WeakPolarHBondContact O-CG 3.48Å; L362-L366 PolarHBondContact O-N 2.63Å; L362-T373 HydrophobicContact CD2-CG2 4.31Å |
| 363 | M | 84.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -36.2 | 176.6 | -70.5 | 179 | 74.1 | 0 | 0 | 112.6 | V359 L360 R365 P369 T373 V374 L377 V402 M426 | V359-M363 HydrophobicContact CG1-SD 4.27Å; V359-M363 VanDerWaalsContact O-CG 3.28Å; V359-M363 WeakPolarHBondContact O-CG 3.18Å; V359-M363 PolarHBondContact O-N 3.25Å; L360-M363 PolarHBondContact O-N 3.45Å; M363-R365 VanDerWaalsContact C-N 3.32Å; M363-R365 PolarHBondContact O-N 2.82Å; M363-P369 HydrophobicContact CB-CG 4.24Å; M363-P369 HydrophobicContact CE-CB 3.7Å; M363-P369 HydrophobicContact CE-CG 3.85Å; M363-P369 HydrophobicContact CG-CB 4.18Å; M363-P369 HydrophobicContact CG-CG 4.43Å; M363-T373 HydrophobicContact CG-CG2 3.35Å; M363-T373 HydrophobicContact SD-CG2 3.99Å; M363-V374 HydrophobicContact CE-CG2 3.88Å; M363-L377 HydrophobicContact CE-CD2 4.18Å; M363-L377 HydrophobicContact SD-CB 4.16Å; M363-L377 HydrophobicContact SD-CD2 3.68Å; M363-L377 HydrophobicContact SD-CG 4.36Å; M363-V402 HydrophobicContact CB-CG1 4.08Å; M363-V402 HydrophobicContact CB-CG2 4.2Å; M363-V402 HydrophobicContact CE-CG1 4.23Å; M363-M426 HydrophobicContact CE-CE 4.33Å; M363-M426 HydrophobicContact CE-SD 3.69Å |
| 364 | G | 79.7 | Confident | 82.1 | Confident | 30 Ų | 30 | 32.6 Ų | 32.6 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.7 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L360 E361 L362 K405 | L360-G364 PolarHBondContact O-N 3.5Å; E361-G364 PolarHBondContact O-N 3.41Å; L362-G364 PolarHBondContact O-N 3.44Å; G364-K405 PolarHBondContact O-NZ 3.34Å |
| 365 | R | 76.7 | Confident | 82.3 | Confident | 173 Ų | 173 | 28.5 Ų | 28.5 | 65% | 0.653 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -79.5 | -36.1 | 179.6 | -67.1 | 175.4 | -164.4 | -174.1 | 9.5 | 113 | E361 L362 M363 | E361-R365 WeakPolarHBondContact O-CG 3.27Å; E361-R365 PolarHBondContact O-N 2.89Å; E361-R365 VanDerWaalsContact O-N 3.11Å; E361-R365 IonicContact OE2-NH2 3.18Å; E361-R365 PolarHBondContact OE2-NH2 2.87Å; L362-R365 PolarHBondContact O-N 2.93Å; M363-R365 VanDerWaalsContact C-N 3.32Å; M363-R365 PolarHBondContact O-N 2.82Å |
| 366 | L | 75.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 28.5 Ų | 28.5 | 12% | 0.12 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -63.5 | 137.6 | -178.3 | -69.6 | 173.6 | 0 | 0 | 0 | 111.7 | L362 L368 K405 | L362-L366 HydrophobicContact CD1-CD1 4.2Å; L362-L366 HydrophobicContact CD1-CD2 4.27Å; L362-L366 HydrophobicContact CD1-CG 4.03Å; L362-L366 HydrophobicContact CG-CD1 4.06Å; L362-L366 HydrophobicContact CG-CG 4.35Å; L362-L366 WeakPolarHBondContact O-CG 3.48Å; L362-L366 PolarHBondContact O-N 2.63Å; L366-L368 VanDerWaalsContact C-N 3.27Å; L366-L368 PolarHBondContact O-N 3.42Å; L366-K405 PolarHBondContact O-NZ 2.77Å |
| 367 | S | 73 | Confident | 82.5 | Confident | 88 Ų | 88 | 28.5 Ų | 28.5 | 62% | 0.615 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -55.1 | -46.6 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | M409 | S367-M409 WeakPolarHBondContact O-CE 3.44Š|
| 368 | L | 78.7 | Confident | 82.8 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 9% | 0.094 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -135.7 | 135 | 162.5 | -175.1 | 73.5 | 0 | 0 | 0 | 108.5 | Y317 L366 L406 M409 C419 I422 | Y317-L368 HydrophobicContact CE1-CD2 3.78Å; Y317-L368 WeakPolarHBondContact OH-CD2 3.41Å; L366-L368 VanDerWaalsContact C-N 3.27Å; L366-L368 PolarHBondContact O-N 3.42Å; L368-L406 HydrophobicContact CD1-CD2 3.89Å; L368-M409 HydrophobicContact CB-CE 4Å; L368-M409 HydrophobicContact CD1-CE 3.55Å; L368-M409 HydrophobicContact CG-CE 4.36Å; L368-C419 HydrophobicContact CD1-CB 3.97Å; L368-I422 HydrophobicContact CD1-CD1 4.07Å; L368-I422 HydrophobicContact CD2-CD1 3.76Å; L368-I422 HydrophobicContact CG-CD1 3.64Å |
| 369 | P | 79.8 | Confident | 83 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | trans | -56 | 159.5 | 174.9 | -25 | 35.3 | 0 | 0 | 0 | 112.7 | M363 V374 L406 I422 | M363-P369 HydrophobicContact CB-CG 4.24Å; M363-P369 HydrophobicContact CE-CB 3.7Å; M363-P369 HydrophobicContact CE-CG 3.85Å; M363-P369 HydrophobicContact CG-CB 4.18Å; M363-P369 HydrophobicContact CG-CG 4.43Å; P369-V374 HydrophobicContact CB-CG2 4.4Å; P369-L406 HydrophobicContact CG-CD1 4.49Å; P369-L406 HydrophobicContact CG-CD2 4.01Å; P369-I422 HydrophobicContact CB-CD1 4.49Å; P369-I422 HydrophobicContact CB-CG2 4.27Å; P369-I422 HydrophobicContact CG-CG2 4.33Å; P369-I422 WeakPolarHBondContact O-CD1 3.27Å | ||
| 370 | H | 78.5 | Confident | 82.9 | Confident | 49 Ų | 49 | 23.9 Ų | 23.9 | 23% | 0.227 | 12% | 0.123 | C | C | . | . | trans | -98.1 | 155.7 | 172 | -61.8 | -62 | 0 | 0 | 0 | 111 | S372 T373 V374 | H370-S372 VanDerWaalsContact C-N 3.26Å; H370-S372 PolarHBondContact O-N 2.9Å; H370-T373 WeakPolarHBondContact O-CB 3.5Å; H370-T373 PolarHBondContact O-N 2.79Å; H370-V374 WeakPolarHBondContact O-CG2 3.37Å; H370-V374 PolarHBondContact O-N 2.69Å | ||
| 371 | E | 82.3 | Confident | 82.8 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 9% | 0.089 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 177.5 | -149.7 | -170.3 | 165.6 | 0 | 0 | 111.7 | Y317 T373 V374 Y375 K425 | Y317-E371 WeakPolarHBondContact O-CB 3.35Å; E371-T373 VanDerWaalsContact C-N 3.34Å; E371-T373 PolarHBondContact O-N 3.19Å; E371-V374 WeakPolarHBondContact O-CB 3.22Å; E371-V374 PolarHBondContact O-N 3.46Å; E371-V374 VanDerWaalsContact O-N 3.12Å; E371-Y375 HydrophobicContact CB-CE2 4.29Å; E371-Y375 VanDerWaalsContact CD-CE2 3.5Å; E371-Y375 HydrophobicContact CG-CD2 4.06Å; E371-Y375 HydrophobicContact CG-CE2 3.44Å; E371-Y375 VanDerWaalsContact CG-CE2 3.44Å; E371-Y375 WeakPolarHBondContact O-CD2 3.39Å; E371-Y375 PolarHBondContact O-N 2.92Å; E371-Y375 WeakPolarHBondContact OE1-CE2 3.4Å; E371-Y375 PolarHBondContact OE1-OH 3.43Å; E371-K425 HydrophobicContact CG-CD 4.15Å; E371-K425 IonicContact OE1-NZ 3.64Å; E371-K425 PolarHBondContact OE1-NZ 3.39Å; E371-K425 IonicContact OE2-NZ 3.59Å |
| 372 | S | 83.2 | Confident | 82.5 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 174.2 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | S319 D322 H370 V374 Y375 A376 | S319-S372 WeakPolarHBondContact CB-OG 3.08Å; S319-S372 WeakPolarHBondContact O-CB 3.28Å; S319-S372 PolarHBondContact OG-OG 3.38Å; D322-S372 WeakPolarHBondContact CB-O 3.47Å; D322-S372 VanDerWaalsContact OD1-CA 3.32Å; D322-S372 WeakPolarHBondContact OD1-CA 3.32Å; D322-S372 WeakPolarHBondContact OD1-CB 3.4Å; H370-S372 VanDerWaalsContact C-N 3.26Å; H370-S372 PolarHBondContact O-N 2.9Å; S372-V374 VanDerWaalsContact C-N 3.29Å; S372-V374 PolarHBondContact O-N 3.41Å; S372-Y375 PolarHBondContact O-N 2.96Å; S372-A376 WeakPolarHBondContact O-CB 3.23Å; S372-A376 PolarHBondContact O-N 2.86Å |
| 373 | T | 86.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 176 | -39.9 | 0 | 0 | 0 | 0 | 111.3 | V359 L362 M363 H370 E371 L377 | V359-T373 HydrophobicContact CG1-CG2 3.72Å; L362-T373 HydrophobicContact CD2-CG2 4.31Å; M363-T373 HydrophobicContact CG-CG2 3.35Å; M363-T373 HydrophobicContact SD-CG2 3.99Å; H370-T373 WeakPolarHBondContact O-CB 3.5Å; H370-T373 PolarHBondContact O-N 2.79Å; E371-T373 VanDerWaalsContact C-N 3.34Å; E371-T373 PolarHBondContact O-N 3.19Å; T373-L377 VanDerWaalsContact O-CB 3.3Å; T373-L377 WeakPolarHBondContact O-CB 3.3Å; T373-L377 PolarHBondContact O-N 3.42Å |
| 374 | V | 87.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 176.3 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | M363 P369 H370 E371 S372 L377 A378 I422 K425 M426 I429 W502 | M363-V374 HydrophobicContact CE-CG2 3.88Å; P369-V374 HydrophobicContact CB-CG2 4.4Å; H370-V374 WeakPolarHBondContact O-CG2 3.37Å; H370-V374 PolarHBondContact O-N 2.69Å; E371-V374 WeakPolarHBondContact O-CB 3.22Å; E371-V374 PolarHBondContact O-N 3.46Å; E371-V374 VanDerWaalsContact O-N 3.12Å; S372-V374 VanDerWaalsContact C-N 3.29Å; S372-V374 PolarHBondContact O-N 3.41Å; V374-L377 WeakPolarHBondContact O-CB 3.43Å; V374-L377 PolarHBondContact O-N 2.83Å; V374-A378 WeakPolarHBondContact O-CB 3.37Å; V374-A378 PolarHBondContact O-N 3.26Å; V374-I422 HydrophobicContact CG2-CG2 4.12Å; V374-K425 HydrophobicContact CG1-CB 3.8Å; V374-M426 HydrophobicContact CG1-SD 4.24Å; V374-M426 HydrophobicContact CG2-SD 4.48Å; V374-I429 HydrophobicContact CG1-CD1 3.64Å; V374-W502 HydrophobicContact CG1-CH2 3.96Å; V374-W502 HydrophobicContact CG1-CZ3 3.84Å |
| 375 | Y | 88.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.8 | -74.1 | -63.8 | 0 | 0 | 0 | 112.5 | D322 E371 S372 L377 A378 F379 I498 R499 W502 | D322-Y375 VanDerWaalsContact OD2-CB 3.31Å; D322-Y375 WeakPolarHBondContact OD2-CB 3.46Å; D322-Y375 VanDerWaalsContact OD2-CD2 3.31Å; D322-Y375 WeakPolarHBondContact OD2-CD2 3.3Å; E371-Y375 HydrophobicContact CB-CE2 4.29Å; E371-Y375 VanDerWaalsContact CD-CE2 3.5Å; E371-Y375 HydrophobicContact CG-CD2 4.06Å; E371-Y375 HydrophobicContact CG-CE2 3.44Å; E371-Y375 VanDerWaalsContact CG-CE2 3.44Å; E371-Y375 WeakPolarHBondContact O-CD2 3.39Å; E371-Y375 PolarHBondContact O-N 2.92Å; E371-Y375 WeakPolarHBondContact OE1-CE2 3.4Å; E371-Y375 PolarHBondContact OE1-OH 3.43Å; S372-Y375 PolarHBondContact O-N 2.96Å; Y375-L377 VanDerWaalsContact C-N 3.32Å; Y375-L377 PolarHBondContact O-N 3.33Å; Y375-A378 PolarHBondContact O-N 2.93Å; Y375-F379 WeakPolarHBondContact O-CB 3.47Å; Y375-F379 PolarHBondContact O-N 2.97Å; Y375-I498 HydrophobicContact CD1-CG2 4.11Å; Y375-R499 HydrophobicContact CE2-CG 4.19Å; Y375-W502 AromaticContact CD1-CD2 3.91Å; Y375-W502 HydrophobicContact CD1-CD2 3.91Å; Y375-W502 AromaticContact CD1-CE3 3.65Å; Y375-W502 HydrophobicContact CD1-CE3 3.65Å; Y375-W502 HydrophobicContact CD1-CG 4.37Å; Y375-W502 AromaticContact CD1-CZ3 3.97Å; Y375-W502 HydrophobicContact CD1-CZ3 3.97Å; Y375-W502 HydrophobicContact CE1-CB 3.62Å; Y375-W502 AromaticContact CE1-CD2 3.41Å; Y375-W502 HydrophobicContact CE1-CD2 3.41Å; Y375-W502 VanDerWaalsContact CE1-CD2 3.41Å; Y375-W502 AromaticContact CE1-CE3 3.09Å; Y375-W502 HydrophobicContact CE1-CE3 3.09Å; Y375-W502 AromaticContact CE1-CG 3.65Å; Y375-W502 HydrophobicContact CE1-CG 3.65Å; Y375-W502 AromaticContact CE1-CZ3 3.82Å; Y375-W502 HydrophobicContact CE1-CZ3 3.82Å; Y375-W502 AromaticContact CZ-CE3 3.76Å |
| 376 | A | 88.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L309 L325 S372 F379 F380 | L309-A376 HydrophobicContact CD1-CB 3.7Å; L309-A376 HydrophobicContact CD2-CB 4.4Å; L325-A376 HydrophobicContact CD2-CB 4.12Å; S372-A376 WeakPolarHBondContact O-CB 3.23Å; S372-A376 PolarHBondContact O-N 2.86Å; A376-F379 PolarHBondContact O-N 3.42Å; A376-F380 HydrophobicContact CB-CD2 4.42Å; A376-F380 HydrophobicContact CB-CE2 4.03Å; A376-F380 WeakPolarHBondContact O-CD2 3.43Å; A376-F380 WeakPolarHBondContact O-CG 3.35Å; A376-F380 PolarHBondContact O-N 3.16Å |
| 377 | L | 88.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 174.3 | -178.6 | 68.8 | 0 | 0 | 0 | 111.3 | F356 V359 L360 M363 T373 V374 Y375 F379 F380 I381 M426 I429 | F356-L377 HydrophobicContact CD2-CD1 4Å; F356-L377 HydrophobicContact CE2-CD1 3.88Å; V359-L377 HydrophobicContact CG1-CB 3.9Å; V359-L377 HydrophobicContact CG1-CD1 4.15Å; L360-L377 HydrophobicContact CD2-CD1 3.55Å; L360-L377 HydrophobicContact CD2-CD2 3.85Å; L360-L377 HydrophobicContact CD2-CG 4.37Å; L360-L377 HydrophobicContact CG-CD1 3.7Å; M363-L377 HydrophobicContact CE-CD2 4.18Å; M363-L377 HydrophobicContact SD-CB 4.16Å; M363-L377 HydrophobicContact SD-CD2 3.68Å; M363-L377 HydrophobicContact SD-CG 4.36Å; T373-L377 VanDerWaalsContact O-CB 3.3Å; T373-L377 WeakPolarHBondContact O-CB 3.3Å; T373-L377 PolarHBondContact O-N 3.42Å; V374-L377 WeakPolarHBondContact O-CB 3.43Å; V374-L377 PolarHBondContact O-N 2.83Å; Y375-L377 VanDerWaalsContact C-N 3.32Å; Y375-L377 PolarHBondContact O-N 3.33Å; L377-F379 VanDerWaalsContact C-N 3.29Å; L377-F379 PolarHBondContact O-N 3.32Å; L377-F380 PolarHBondContact O-N 3.45Å; L377-I381 HydrophobicContact CD1-CD1 3.6Å; L377-I381 HydrophobicContact CD1-CG1 3.93Å; L377-I381 HydrophobicContact CD2-CD1 4.06Å; L377-I381 HydrophobicContact CG-CD1 3.56Å; L377-I381 HydrophobicContact CG-CG1 4.18Å; L377-I381 WeakPolarHBondContact O-CB 3.43Å; L377-I381 VanDerWaalsContact O-CG1 3.28Å; L377-I381 WeakPolarHBondContact O-CG1 3.47Å; L377-I381 PolarHBondContact O-N 2.98Å; L377-M426 HydrophobicContact CD2-CE 3.75Å; L377-M426 HydrophobicContact CD2-SD 3.9Å; L377-I429 HydrophobicContact CD2-CD1 4.16Å; L377-I429 HydrophobicContact CG-CD1 4.49Å |
| 378 | A | 87.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V374 Y375 L382 I429 Y482 W502 | V374-A378 WeakPolarHBondContact O-CB 3.37Å; V374-A378 PolarHBondContact O-N 3.26Å; Y375-A378 PolarHBondContact O-N 2.93Å; A378-L382 VanDerWaalsContact O-CB 3.23Å; A378-L382 WeakPolarHBondContact O-CB 3.45Å; A378-L382 WeakPolarHBondContact O-CD1 3.32Å; A378-L382 VanDerWaalsContact O-CG 3.23Å; A378-L382 WeakPolarHBondContact O-CG 3.07Å; A378-L382 PolarHBondContact O-N 3.27Å; A378-I429 HydrophobicContact CB-CD1 3.85Å; A378-I429 HydrophobicContact CB-CG1 3.8Å; A378-Y482 HydrophobicContact CB-CE1 4.41Å; A378-W502 HydrophobicContact CB-CH2 3.76Å; A378-W502 HydrophobicContact CB-CZ2 3.49Å; A378-W502 VanDerWaalsContact CB-CZ2 3.49Å |
| 379 | F | 88.4 | Confident | 76 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.2 | -55.1 | 175.4 | 172.2 | -107.1 | 0 | 0 | 0 | 111.5 | I326 Q329 M352 Y375 A376 L377 I381 L382 S383 L487 I498 | I326-F379 HydrophobicContact CB-CG 4.44Å; I326-F379 HydrophobicContact CD1-CB 3.86Å; I326-F379 HydrophobicContact CD1-CG 4.29Å; I326-F379 HydrophobicContact CG1-CB 3.87Å; I326-F379 HydrophobicContact CG1-CD1 3.97Å; I326-F379 HydrophobicContact CG1-CD2 4.38Å; I326-F379 HydrophobicContact CG1-CG 3.8Å; I326-F379 HydrophobicContact CG2-CD1 4.43Å; I326-F379 HydrophobicContact CG2-CD2 3.67Å; I326-F379 HydrophobicContact CG2-CE2 3.86Å; I326-F379 HydrophobicContact CG2-CG 3.98Å; I326-F379 HydrophobicContact CG2-CZ 4.32Å; Q329-F379 HydrophobicContact CB-CE1 4.1Å; Q329-F379 HydrophobicContact CB-CZ 4.19Å; Q329-F379 HydrophobicContact CG-CE1 3.89Å; Q329-F379 HydrophobicContact CG-CZ 4.02Å; M352-F379 HydrophobicContact CE-CE1 4.38Å; Y375-F379 WeakPolarHBondContact O-CB 3.47Å; Y375-F379 PolarHBondContact O-N 2.97Å; A376-F379 PolarHBondContact O-N 3.42Å; L377-F379 VanDerWaalsContact C-N 3.29Å; L377-F379 PolarHBondContact O-N 3.32Å; F379-I381 VanDerWaalsContact C-N 3.34Å; F379-I381 PolarHBondContact O-N 3.46Å; F379-L382 PolarHBondContact O-N 3.1Å; F379-S383 WeakPolarHBondContact O-CB 3.35Å; F379-S383 PolarHBondContact O-N 3.47Å; F379-S383 PolarHBondContact O-OG 3.16Å; F379-L487 HydrophobicContact CD2-CD1 3.63Å; F379-L487 HydrophobicContact CE2-CD1 3.68Å; F379-I498 HydrophobicContact CD2-CD1 4.27Å |
| 380 | F | 86 | Confident | 75 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | -176 | -64.6 | -47.7 | 0 | 0 | 0 | 113.5 | L325 M352 Q355 F356 V359 A376 L377 | L325-F380 HydrophobicContact CD1-CZ 4.32Å; L325-F380 HydrophobicContact CD2-CE2 3.98Å; L325-F380 HydrophobicContact CD2-CZ 3.75Å; L325-F380 HydrophobicContact CG-CZ 4.06Å; M352-F380 HydrophobicContact CE-CD1 3.77Å; M352-F380 HydrophobicContact SD-CD1 4.12Å; M352-F380 HydrophobicContact SD-CE1 4.43Å; Q355-F380 HydrophobicContact CB-CD1 4.26Å; Q355-F380 HydrophobicContact CB-CD2 4.3Å; Q355-F380 HydrophobicContact CB-CE1 4.08Å; Q355-F380 HydrophobicContact CB-CE2 4.11Å; Q355-F380 HydrophobicContact CB-CG 4.39Å; Q355-F380 HydrophobicContact CB-CZ 4.01Å; Q355-F380 HydrophobicContact CG-CE1 4.44Å; Q355-F380 HydrophobicContact CG-CZ 4.37Å; F356-F380 HydrophobicContact CB-CB 4.33Å; V359-F380 HydrophobicContact CG2-CD2 3.95Å; V359-F380 HydrophobicContact CG2-CE2 3.83Å; A376-F380 HydrophobicContact CB-CD2 4.42Å; A376-F380 HydrophobicContact CB-CE2 4.03Å; A376-F380 WeakPolarHBondContact O-CD2 3.43Å; A376-F380 WeakPolarHBondContact O-CG 3.35Å; A376-F380 PolarHBondContact O-N 3.16Å; L377-F380 PolarHBondContact O-N 3.45Å |
| 381 | I | 80.2 | Confident | 74.4 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -47.2 | 177.4 | -72.7 | 179.8 | 0 | 0 | 0 | 111.3 | F356 L377 F379 I429 L433 | F356-I381 HydrophobicContact CD2-CD1 4.4Å; F356-I381 HydrophobicContact CD2-CG1 3.59Å; F356-I381 HydrophobicContact CE2-CD1 3.72Å; F356-I381 HydrophobicContact CE2-CG1 3.32Å; F356-I381 HydrophobicContact CZ-CG1 4.4Å; L377-I381 HydrophobicContact CD1-CD1 3.6Å; L377-I381 HydrophobicContact CD1-CG1 3.93Å; L377-I381 HydrophobicContact CD2-CD1 4.06Å; L377-I381 HydrophobicContact CG-CD1 3.56Å; L377-I381 HydrophobicContact CG-CG1 4.18Å; L377-I381 WeakPolarHBondContact O-CB 3.43Å; L377-I381 VanDerWaalsContact O-CG1 3.28Å; L377-I381 WeakPolarHBondContact O-CG1 3.47Å; L377-I381 PolarHBondContact O-N 2.98Å; F379-I381 VanDerWaalsContact C-N 3.34Å; F379-I381 PolarHBondContact O-N 3.46Å; I381-I429 HydrophobicContact CD1-CG2 3.93Å; I381-L433 HydrophobicContact CD1-CD1 4.45Å; I381-L433 HydrophobicContact CG2-CD1 4.03Å; I381-L433 HydrophobicContact CG2-CD2 3.23Å; I381-L433 HydrophobicContact CG2-CG 3.65Å |
| 382 | L | 77.1 | Confident | 73.7 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -95.2 | -14.6 | -165.3 | -59 | 171.5 | 0 | 0 | 0 | 113.7 | A378 F379 L432 L436 Y482 | A378-L382 VanDerWaalsContact O-CB 3.23Å; A378-L382 WeakPolarHBondContact O-CB 3.45Å; A378-L382 WeakPolarHBondContact O-CD1 3.32Å; A378-L382 VanDerWaalsContact O-CG 3.23Å; A378-L382 WeakPolarHBondContact O-CG 3.07Å; A378-L382 PolarHBondContact O-N 3.27Å; F379-L382 PolarHBondContact O-N 3.1Å; L382-L432 HydrophobicContact CD1-CB 3.69Å; L382-L432 HydrophobicContact CD1-CD1 3.49Å; L382-L432 VanDerWaalsContact CD1-CD1 3.49Å; L382-L432 HydrophobicContact CD1-CG 4.2Å; L382-L432 HydrophobicContact CD2-CB 3.65Å; L382-L432 HydrophobicContact CG-CB 4.34Å; L382-L436 HydrophobicContact CD2-CD1 3.64Å; L382-Y482 HydrophobicContact CB-CD1 4.04Å; L382-Y482 HydrophobicContact CB-CG 3.74Å; L382-Y482 HydrophobicContact CD1-CD1 3.75Å; L382-Y482 HydrophobicContact CD1-CD2 3.8Å; L382-Y482 HydrophobicContact CD1-CE1 4.32Å; L382-Y482 HydrophobicContact CD1-CE2 4.39Å; L382-Y482 HydrophobicContact CD1-CG 3.51Å; L382-Y482 HydrophobicContact CG-CG 4.29Å |
| 383 | S | 76 | Confident | 73 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -92.5 | -0.2 | 175.6 | 67.3 | 0 | 0 | 0 | 0 | 114 | M352 F379 Y482 | M352-S383 WeakPolarHBondContact CE-OG 3.29Å; F379-S383 WeakPolarHBondContact O-CB 3.35Å; F379-S383 PolarHBondContact O-N 3.47Å; F379-S383 PolarHBondContact O-OG 3.16Å; S383-Y482 WeakPolarHBondContact CA-O 3.25Å |
| 384 | G | 66.1 | Low | 72.2 | Confident | 19 Ų | 19 | 37.2 Ų | 37.2 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -66.8 | 151.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 385 | D | 57.4 | Low | 71.5 | Confident | 94 Ų | 94 | 37.7 Ų | 37.7 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | trans | -70.7 | 156.4 | 176.8 | -160.3 | 2.6 | 0 | 0 | 0 | 111 | K387 H388 | D385-K387 PolarHBondContact O-N 2.92Å; D385-H388 PolarHBondContact O-CE1 3.41Å | ||
| 386 | D | 53 | Low | 70.9 | Confident | 127 Ų | 127 | 38.9 Ų | 38.9 | 68% | 0.679 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -57.3 | -2.2 | -167.6 | -70.7 | -33.7 | 0 | 0 | 0 | 115.4 | H388 | D386-H388 PolarHBondContact O-N 3.28Å; D386-H388 VanDerWaalsContact O-N 3.11Å |
| 387 | K | 54.2 | Low | 70.3 | Confident | 126 Ų | 126 | 42 Ų | 42 | 55% | 0.548 | 22% | 0.222 | S | C | . | . | trans | -83.3 | 44.2 | 177.2 | -61.1 | -176.4 | -177.3 | 175.9 | 0 | 113.1 | D385 D389 | D385-K387 PolarHBondContact O-N 2.92Å; K387-D389 PolarHBondContact O-N 3.18Å; K387-D389 VanDerWaalsContact O-N 3.12Å | ||
| 388 | H | 54.2 | Low | 69.7 | Low | 35 Ų | 35 | 44.2 Ų | 44.2 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -2.9 | -178.5 | -65 | -50.9 | 0 | 0 | 0 | 115.4 | D385 D386 Q390 Y391 A392 | D385-H388 PolarHBondContact O-CE1 3.41Å; D386-H388 PolarHBondContact O-N 3.28Å; D386-H388 VanDerWaalsContact O-N 3.11Å; H388-Q390 VanDerWaalsContact C-N 3.3Å; H388-Q390 PolarHBondContact O-N 2.94Å; H388-Y391 PolarHBondContact O-N 2.84Å; H388-Y391 VanDerWaalsContact O-N 3.1Å; H388-A392 PolarHBondContact O-N 3.39Å |
| 389 | D | 52.6 | Low | 69.5 | Low | 74 Ų | 74 | 44.2 Ų | 44.2 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28 | -179.9 | -91 | -30.6 | 0 | 0 | 0 | 114 | K387 K452 | K387-D389 PolarHBondContact O-N 3.18Å; K387-D389 VanDerWaalsContact O-N 3.12Å; D389-K452 WeakPolarHBondContact OD1-CE 3.41Å; D389-K452 IonicContact OD1-NZ 3.96Å |
| 390 | Q | 59.5 | Low | 69.2 | Low | 149 Ų | 149 | 45 Ų | 45 | 70% | 0.696 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -31.1 | 172 | -78.6 | -177 | -8.2 | 0 | 0 | 112.2 | H388 | H388-Q390 VanDerWaalsContact C-N 3.3Å; H388-Q390 PolarHBondContact O-N 2.94Å |
| 391 | Y | 65.8 | Low | 69.2 | Low | 22 Ų | 22 | 48.3 Ų | 48.3 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.6 | -27.6 | -177.8 | -80.9 | -97 | 0 | 0 | 0 | 113.5 | S349 C353 F356 H388 D393 D394 I395 | S349-Y391 PolarHBondContact O-OH 3.48Å; S349-Y391 VanDerWaalsContact O-OH 3.09Å; C353-Y391 WeakPolarHBondContact CA-OH 3.44Å; C353-Y391 HydrophobicContact CB-CE1 3.96Å; C353-Y391 HydrophobicContact CB-CE2 4.46Å; C353-Y391 WeakPolarHBondContact CB-OH 3.5Å; C353-Y391 PolarHBondContact N-OH 2.95Å; F356-Y391 HydrophobicContact CB-CE1 4.32Å; F356-Y391 AromaticContact CD1-CD1 3.82Å; F356-Y391 HydrophobicContact CD1-CD1 3.82Å; F356-Y391 AromaticContact CD1-CE1 3.94Å; F356-Y391 HydrophobicContact CD1-CE1 3.94Å; F356-Y391 HydrophobicContact CE1-CD1 4.14Å; F356-Y391 HydrophobicContact CG-CD1 4.44Å; F356-Y391 HydrophobicContact CG-CE1 4.29Å; H388-Y391 PolarHBondContact O-N 2.84Å; H388-Y391 VanDerWaalsContact O-N 3.1Å; Y391-D393 VanDerWaalsContact C-N 3.34Å; Y391-D393 PolarHBondContact O-N 2.92Å; Y391-D394 PolarHBondContact O-N 2.89Å; Y391-I395 WeakPolarHBondContact O-CB 3.17Å; Y391-I395 WeakPolarHBondContact O-CD1 3.46Å; Y391-I395 WeakPolarHBondContact O-CG1 3.44Å; Y391-I395 PolarHBondContact O-N 3.49Å |
| 392 | A | 67.6 | Low | 69.5 | Low | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.1 | -42.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H388 V396 K451 L455 | H388-A392 PolarHBondContact O-N 3.39Å; A392-V396 VanDerWaalsContact O-CG2 3.25Å; A392-V396 WeakPolarHBondContact O-CG2 3.15Å; A392-V396 PolarHBondContact O-N 3.07Å; A392-K451 HydrophobicContact CB-CB 4.17Å; A392-L455 HydrophobicContact CB-CD2 4.36Å |
| 393 | D | 68.1 | Low | 70 | Confident | 66 Ų | 66 | 47.8 Ų | 47.8 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.2 | -42 | 178.5 | -70.1 | -29.1 | 0 | 0 | 0 | 111.5 | Y391 I395 V396 S397 K451 | Y391-D393 VanDerWaalsContact C-N 3.34Å; Y391-D393 PolarHBondContact O-N 2.92Å; D393-I395 VanDerWaalsContact C-N 3.34Å; D393-V396 PolarHBondContact O-N 2.83Å; D393-S397 WeakPolarHBondContact O-CB 3.22Å; D393-S397 PolarHBondContact O-N 3.16Å; D393-S397 PolarHBondContact O-OG 3.4Å; D393-K451 WeakPolarHBondContact OD1-CG 3.48Å; D393-K451 VanDerWaalsContact OD2-CD 3.24Å; D393-K451 WeakPolarHBondContact OD2-CD 3.47Å; D393-K451 WeakPolarHBondContact OD2-CE 3.28Å; D393-K451 WeakPolarHBondContact OD2-CG 3.34Å; D393-K451 IonicContact OD2-NZ 2.89Å; D393-K451 PolarHBondContact OD2-NZ 2.63Å |
| 394 | D | 69.5 | Low | 70.5 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 176.7 | -75.1 | -45.9 | 0 | 0 | 0 | 111.5 | K357 Y391 S397 H398 | K357-D394 WeakPolarHBondContact CE-OD1 3.47Å; K357-D394 WeakPolarHBondContact CE-OD2 3.38Å; K357-D394 IonicContact NZ-OD1 2.82Å; K357-D394 PolarHBondContact NZ-OD1 2.93Å; K357-D394 VanDerWaalsContact NZ-OD1 3.15Å; K357-D394 IonicContact NZ-OD2 2.82Å; K357-D394 PolarHBondContact NZ-OD2 3.06Å; Y391-D394 PolarHBondContact O-N 2.89Å; D394-S397 WeakPolarHBondContact CA-OG 3.46Å; D394-S397 PolarHBondContact O-OG 3.28Å; D394-S397 VanDerWaalsContact O-OG 3.14Å; D394-H398 WeakPolarHBondContact O-CB 3.38Å; D394-H398 PolarHBondContact O-N 3.2Å; D394-H398 PolarHBondContact O-ND1 2.68Å |
| 395 | I | 72.7 | Confident | 71.5 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -53 | 172 | -67.8 | 160.9 | 0 | 0 | 0 | 108.2 | F356 Y391 D393 S397 H398 L399 L455 | F356-I395 HydrophobicContact CE1-CG1 3.68Å; F356-I395 HydrophobicContact CE2-CG1 4.28Å; F356-I395 HydrophobicContact CZ-CB 4.08Å; F356-I395 HydrophobicContact CZ-CG1 3.33Å; Y391-I395 WeakPolarHBondContact O-CB 3.17Å; Y391-I395 WeakPolarHBondContact O-CD1 3.46Å; Y391-I395 WeakPolarHBondContact O-CG1 3.44Å; Y391-I395 PolarHBondContact O-N 3.49Å; D393-I395 VanDerWaalsContact C-N 3.34Å; I395-S397 PolarHBondContact O-N 3.2Å; I395-H398 PolarHBondContact O-N 3.26Å; I395-L399 HydrophobicContact CG2-CB 4.09Å; I395-L399 HydrophobicContact CG2-CD2 3.76Å; I395-L399 WeakPolarHBondContact O-CA 3.24Å; I395-L399 WeakPolarHBondContact O-CB 3.41Å; I395-L399 PolarHBondContact O-N 2.63Å; I395-L455 HydrophobicContact CB-CD1 4.47Å; I395-L455 HydrophobicContact CG2-CD1 3.7Å |
| 396 | V | 74.9 | Confident | 72.9 | Confident | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | -178.5 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | A392 D393 H398 A400 H454 L455 L458 | A392-V396 VanDerWaalsContact O-CG2 3.25Å; A392-V396 WeakPolarHBondContact O-CG2 3.15Å; A392-V396 PolarHBondContact O-N 3.07Å; D393-V396 PolarHBondContact O-N 2.83Å; V396-H398 VanDerWaalsContact C-N 3.35Å; V396-H398 PolarHBondContact O-N 3.14Å; V396-A400 WeakPolarHBondContact O-CB 3.29Å; V396-A400 PolarHBondContact O-N 3.35Å; V396-H454 HydrophobicContact CG2-CB 4.33Å; V396-L455 HydrophobicContact CG2-CB 3.79Å; V396-L455 HydrophobicContact CG2-CD1 3.84Å; V396-L455 HydrophobicContact CG2-CG 4.42Å; V396-L458 HydrophobicContact CB-CD2 4.49Å; V396-L458 HydrophobicContact CG1-CD2 4.41Å; V396-L458 HydrophobicContact CG2-CD2 4.25Å |
| 397 | S | 77.1 | Confident | 74.5 | Confident | 64 Ų | 64 | 45 Ų | 45 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.1 | -34.2 | -175.6 | 67 | 0 | 0 | 0 | 0 | 113 | D393 D394 I395 P401 | D393-S397 WeakPolarHBondContact O-CB 3.22Å; D393-S397 PolarHBondContact O-N 3.16Å; D393-S397 PolarHBondContact O-OG 3.4Å; D394-S397 WeakPolarHBondContact CA-OG 3.46Å; D394-S397 PolarHBondContact O-OG 3.28Å; D394-S397 VanDerWaalsContact O-OG 3.14Å; I395-S397 PolarHBondContact O-N 3.2Å; S397-P401 WeakPolarHBondContact O-CD 3.42Å; S397-P401 VanDerWaalsContact O-CG 3.32Å; S397-P401 WeakPolarHBondContact O-CG 3.49Å |
| 398 | H | 76.6 | Confident | 76 | Confident | 47 Ų | 47 | 42 Ų | 42 | 22% | 0.218 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -99.8 | -31.5 | -176.4 | -60.8 | 88 | 0 | 0 | 0 | 113.4 | L360 D394 I395 V396 V402 | L360-H398 HydrophobicContact CB-CB 3.8Å; L360-H398 HydrophobicContact CD1-CB 3.57Å; L360-H398 HydrophobicContact CG-CB 4.34Å; D394-H398 WeakPolarHBondContact O-CB 3.38Å; D394-H398 PolarHBondContact O-N 3.2Å; D394-H398 PolarHBondContact O-ND1 2.68Å; I395-H398 PolarHBondContact O-N 3.26Å; V396-H398 VanDerWaalsContact C-N 3.35Å; V396-H398 PolarHBondContact O-N 3.14Å; H398-V402 WeakPolarHBondContact O-CG2 3.4Å |
| 399 | L | 82.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -79 | -39.5 | 179.5 | -175.1 | 61.6 | 0 | 0 | 0 | 111.7 | L360 I395 V402 L403 M426 L433 | L360-L399 HydrophobicContact CD1-CB 4.3Å; L360-L399 HydrophobicContact CD2-CB 4.47Å; L360-L399 HydrophobicContact CD2-CD1 3.91Å; I395-L399 HydrophobicContact CG2-CB 4.09Å; I395-L399 HydrophobicContact CG2-CD2 3.76Å; I395-L399 WeakPolarHBondContact O-CA 3.24Å; I395-L399 WeakPolarHBondContact O-CB 3.41Å; I395-L399 PolarHBondContact O-N 2.63Å; L399-V402 PolarHBondContact O-N 3.11Å; L399-V402 VanDerWaalsContact O-N 3.12Å; L399-L403 HydrophobicContact CD1-CD1 4.31Å; L399-L403 HydrophobicContact CD1-CD2 4.17Å; L399-L403 HydrophobicContact CD1-CG 3.99Å; L399-L403 HydrophobicContact CD2-CD1 4.17Å; L399-L403 HydrophobicContact CG-CD1 3.8Å; L399-L403 HydrophobicContact CG-CG 3.92Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.3Å; L399-M426 HydrophobicContact CD1-CE 3.49Å; L399-M426 VanDerWaalsContact CD1-CE 3.49Å; L399-L433 HydrophobicContact CD2-CD1 4.34Å |
| 400 | A | 82.7 | Confident | 78.9 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V396 V402 L403 N404 L458 | V396-A400 WeakPolarHBondContact O-CB 3.29Å; V396-A400 PolarHBondContact O-N 3.35Å; A400-V402 VanDerWaalsContact C-N 3.3Å; A400-V402 PolarHBondContact O-N 3.45Å; A400-L403 PolarHBondContact O-N 2.66Å; A400-N404 WeakPolarHBondContact O-CB 3.34Å; A400-N404 PolarHBondContact O-N 3.47Å; A400-N404 PolarHBondContact O-ND2 2.91Å; A400-L458 HydrophobicContact CB-CD1 3.52Å; A400-L458 HydrophobicContact CB-CD2 3.76Å; A400-L458 HydrophobicContact CB-CG 4.3Å |
| 401 | P | 85.3 | Confident | 80 | Confident | 74 Ų | 74 | 35.9 Ų | 35.9 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 174.9 | -23.7 | 34.5 | 0 | 0 | 0 | 112.8 | S397 K405 | S397-P401 WeakPolarHBondContact O-CD 3.42Å; S397-P401 VanDerWaalsContact O-CG 3.32Å; S397-P401 WeakPolarHBondContact O-CG 3.49Å; P401-K405 WeakPolarHBondContact O-CB 3.37Å; P401-K405 PolarHBondContact O-N 3.27Å |
| 402 | V | 86.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -47.8 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | M363 H398 L399 A400 N404 K405 L406 | M363-V402 HydrophobicContact CB-CG1 4.08Å; M363-V402 HydrophobicContact CB-CG2 4.2Å; M363-V402 HydrophobicContact CE-CG1 4.23Å; H398-V402 WeakPolarHBondContact O-CG2 3.4Å; L399-V402 PolarHBondContact O-N 3.11Å; L399-V402 VanDerWaalsContact O-N 3.12Å; A400-V402 VanDerWaalsContact C-N 3.3Å; A400-V402 PolarHBondContact O-N 3.45Å; V402-N404 PolarHBondContact O-N 2.93Å; V402-K405 PolarHBondContact O-N 3.1Å; V402-L406 HydrophobicContact CG1-CD1 4.06Å; V402-L406 WeakPolarHBondContact O-CG 3.4Å; V402-L406 PolarHBondContact O-N 3.19Å |
| 403 | L | 87.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 178.3 | -65.3 | -178.8 | 0 | 0 | 0 | 111.8 | L399 A400 L406 L407 M426 F462 | L399-L403 HydrophobicContact CD1-CD1 4.31Å; L399-L403 HydrophobicContact CD1-CD2 4.17Å; L399-L403 HydrophobicContact CD1-CG 3.99Å; L399-L403 HydrophobicContact CD2-CD1 4.17Å; L399-L403 HydrophobicContact CG-CD1 3.8Å; L399-L403 HydrophobicContact CG-CG 3.92Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.3Å; A400-L403 PolarHBondContact O-N 2.66Å; L403-L406 PolarHBondContact O-N 3.48Å; L403-L407 WeakPolarHBondContact O-CB 3.2Å; L403-L407 PolarHBondContact O-N 3.32Å; L403-M426 HydrophobicContact CD2-CB 4.08Å; L403-M426 HydrophobicContact CD2-CE 3.67Å; L403-F462 HydrophobicContact CB-CD2 4.03Å; L403-F462 HydrophobicContact CB-CE2 4.09Å; L403-F462 HydrophobicContact CD1-CB 4.3Å; L403-F462 HydrophobicContact CD1-CD1 4.07Å; L403-F462 HydrophobicContact CD1-CD2 4.13Å; L403-F462 HydrophobicContact CD1-CE1 4.42Å; L403-F462 HydrophobicContact CD1-CG 3.92Å; L403-F462 HydrophobicContact CD2-CD1 4.35Å; L403-F462 HydrophobicContact CD2-CD2 4.33Å; L403-F462 HydrophobicContact CD2-CE1 3.87Å; L403-F462 HydrophobicContact CD2-CE2 3.91Å; L403-F462 HydrophobicContact CD2-CZ 3.68Å; L403-F462 HydrophobicContact CG-CD2 4.39Å; L403-F462 HydrophobicContact CG-CE2 4.39Å |
| 404 | N | 86.4 | Confident | 81.8 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.6 | -71.5 | -23.5 | 0 | 0 | 0 | 111.8 | A400 V402 L407 S408 | A400-N404 WeakPolarHBondContact O-CB 3.34Å; A400-N404 PolarHBondContact O-N 3.47Å; A400-N404 PolarHBondContact O-ND2 2.91Å; V402-N404 PolarHBondContact O-N 2.93Å; N404-L407 PolarHBondContact O-N 2.69Å; N404-S408 WeakPolarHBondContact O-CB 3.47Å; N404-S408 PolarHBondContact O-N 3.23Å |
| 405 | K | 87.6 | Confident | 82.2 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 175.4 | -178.4 | -174 | -177.5 | -179.1 | 0 | 111.2 | G364 L366 P401 V402 L407 S408 M409 | G364-K405 PolarHBondContact O-NZ 3.34Å; L366-K405 PolarHBondContact O-NZ 2.77Å; P401-K405 WeakPolarHBondContact O-CB 3.37Å; P401-K405 PolarHBondContact O-N 3.27Å; V402-K405 PolarHBondContact O-N 3.1Å; K405-L407 VanDerWaalsContact C-N 3.35Å; K405-L407 PolarHBondContact O-N 3.22Å; K405-S408 WeakPolarHBondContact O-CB 3.43Å; K405-S408 PolarHBondContact O-N 3.38Å; K405-M409 HydrophobicContact CG-CG 4.43Å; K405-M409 HydrophobicContact CG-SD 4.02Å; K405-M409 WeakPolarHBondContact O-CB 3.36Å; K405-M409 VanDerWaalsContact O-CG 3.26Å; K405-M409 WeakPolarHBondContact O-CG 3.33Å; K405-M409 PolarHBondContact O-N 2.72Å |
| 406 | L | 86.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 179.5 | -71.9 | 172.9 | 0 | 0 | 0 | 112.3 | L368 P369 V402 L403 M409 Y410 I422 L423 M426 | L368-L406 HydrophobicContact CD1-CD2 3.89Å; P369-L406 HydrophobicContact CG-CD1 4.49Å; P369-L406 HydrophobicContact CG-CD2 4.01Å; V402-L406 HydrophobicContact CG1-CD1 4.06Å; V402-L406 WeakPolarHBondContact O-CG 3.4Å; V402-L406 PolarHBondContact O-N 3.19Å; L403-L406 PolarHBondContact O-N 3.48Å; L406-M409 PolarHBondContact O-N 3.24Å; L406-Y410 WeakPolarHBondContact O-CB 3.33Å; L406-Y410 PolarHBondContact O-N 2.91Å; L406-I422 HydrophobicContact CD1-CG2 4.09Å; L406-I422 HydrophobicContact CD2-CG2 4.08Å; L406-L423 HydrophobicContact CB-CD1 3.95Å; L406-M426 HydrophobicContact CD1-CG 3.75Å |
| 407 | L | 85.6 | Confident | 82.9 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 172.4 | -83.2 | 166.1 | 0 | 0 | 0 | 111.4 | L403 N404 K405 M409 Y410 V411 L423 F462 Q465 I516 | L403-L407 WeakPolarHBondContact O-CB 3.2Å; L403-L407 PolarHBondContact O-N 3.32Å; N404-L407 PolarHBondContact O-N 2.69Å; K405-L407 VanDerWaalsContact C-N 3.35Å; K405-L407 PolarHBondContact O-N 3.22Å; L407-M409 PolarHBondContact O-N 3.36Å; L407-Y410 PolarHBondContact O-N 3.14Å; L407-V411 VanDerWaalsContact O-CG2 3.27Å; L407-V411 WeakPolarHBondContact O-CG2 3.45Å; L407-V411 PolarHBondContact O-N 2.58Å; L407-L423 HydrophobicContact CD2-CD1 4.45Å; L407-L423 HydrophobicContact CD2-CD2 4.33Å; L407-L423 HydrophobicContact CG-CD1 4.33Å; L407-F462 HydrophobicContact CD1-CD2 3.62Å; L407-F462 HydrophobicContact CD1-CE2 3.78Å; L407-F462 HydrophobicContact CD2-CE2 4.44Å; L407-F462 HydrophobicContact CG-CD2 4.31Å; L407-F462 HydrophobicContact CG-CE2 3.95Å; L407-Q465 HydrophobicContact CD1-CG 4.24Å; L407-Q465 HydrophobicContact CD2-CB 4.14Å; L407-Q465 HydrophobicContact CD2-CG 4.17Å; L407-I516 HydrophobicContact CD2-CD1 4.46Å |
| 408 | S | 85.8 | Confident | 83.1 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.7 | -48.9 | 176.4 | -173 | 0 | 0 | 0 | 0 | 111.3 | N404 K405 Y410 V411 D412 | N404-S408 WeakPolarHBondContact O-CB 3.47Å; N404-S408 PolarHBondContact O-N 3.23Å; K405-S408 WeakPolarHBondContact O-CB 3.43Å; K405-S408 PolarHBondContact O-N 3.38Å; S408-Y410 VanDerWaalsContact C-N 3.3Å; S408-Y410 PolarHBondContact O-N 2.95Å; S408-V411 PolarHBondContact O-N 3.01Å; S408-V411 VanDerWaalsContact O-N 3.13Å; S408-D412 WeakPolarHBondContact O-CB 3.38Å; S408-D412 PolarHBondContact O-N 2.79Å; S408-D412 PolarHBondContact OG-OD2 2.88Å |
| 409 | M | 84.7 | Confident | 83.5 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 23% | 0.232 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 178.9 | -72.5 | 173.7 | 62.2 | 0 | 0 | 112.6 | S367 L368 K405 L406 L407 D412 N413 | S367-M409 WeakPolarHBondContact O-CE 3.44Å; L368-M409 HydrophobicContact CB-CE 4Å; L368-M409 HydrophobicContact CD1-CE 3.55Å; L368-M409 HydrophobicContact CG-CE 4.36Å; K405-M409 HydrophobicContact CG-CG 4.43Å; K405-M409 HydrophobicContact CG-SD 4.02Å; K405-M409 WeakPolarHBondContact O-CB 3.36Å; K405-M409 VanDerWaalsContact O-CG 3.26Å; K405-M409 WeakPolarHBondContact O-CG 3.33Å; K405-M409 PolarHBondContact O-N 2.72Å; L406-M409 PolarHBondContact O-N 3.24Å; L407-M409 PolarHBondContact O-N 3.36Å; M409-D412 PolarHBondContact O-N 3.04Å; M409-N413 PolarHBondContact O-N 3.13Å |
| 410 | Y | 82.9 | Confident | 83.6 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.9 | 178.5 | -102.4 | 0 | 0 | 0 | 111.9 | L406 L407 S408 D412 N413 P414 K420 L423 L513 | L406-Y410 WeakPolarHBondContact O-CB 3.33Å; L406-Y410 PolarHBondContact O-N 2.91Å; L407-Y410 PolarHBondContact O-N 3.14Å; S408-Y410 VanDerWaalsContact C-N 3.3Å; S408-Y410 PolarHBondContact O-N 2.95Å; Y410-D412 VanDerWaalsContact C-N 3.34Å; Y410-N413 CarbonylContact O-C 3.6Å; Y410-N413 VanDerWaalsContact O-C 3.22Å; Y410-N413 PolarHBondContact O-N 3.01Å; Y410-P414 HydrophobicContact CE2-CB 4.33Å; Y410-P414 VanDerWaalsContact O-CA 3.26Å; Y410-P414 WeakPolarHBondContact O-CA 3.45Å; Y410-P414 WeakPolarHBondContact O-CD 3.28Å; Y410-P414 WeakPolarHBondContact O-CG 3.49Å; Y410-K420 HydrophobicContact CD2-CB 4.33Å; Y410-K420 HydrophobicContact CE2-CB 4.06Å; Y410-K420 HydrophobicContact CE2-CG 4.22Å; Y410-L423 HydrophobicContact CD1-CD2 4.14Å; Y410-L423 HydrophobicContact CD2-CD2 4.44Å; Y410-L423 HydrophobicContact CG-CD2 3.85Å; Y410-L513 HydrophobicContact CD1-CD1 4.23Å; Y410-L513 HydrophobicContact CD1-CD2 4.13Å; Y410-L513 HydrophobicContact CD2-CD1 4.47Å; Y410-L513 HydrophobicContact CE1-CB 4.12Å; Y410-L513 HydrophobicContact CE1-CD1 3.74Å; Y410-L513 HydrophobicContact CE1-CD2 4.02Å; Y410-L513 HydrophobicContact CE1-CG 4.15Å; Y410-L513 HydrophobicContact CE2-CD1 4.02Å |
| 411 | V | 82.3 | Confident | 83.7 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L407 S408 I516 | L407-V411 VanDerWaalsContact O-CG2 3.27Å; L407-V411 WeakPolarHBondContact O-CG2 3.45Å; L407-V411 PolarHBondContact O-N 2.58Å; S408-V411 PolarHBondContact O-N 3.01Å; S408-V411 VanDerWaalsContact O-N 3.13Å; V411-I516 HydrophobicContact CG2-CB 4.08Å; V411-I516 HydrophobicContact CG2-CD1 4.05Å; V411-I516 HydrophobicContact CG2-CG2 4.34Å |
| 412 | D | 81.7 | Confident | 83.8 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 67% | 0.668 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.5 | -34.4 | 178.9 | -66 | -30.7 | 0 | 0 | 0 | 112.1 | S408 M409 Y410 | S408-D412 WeakPolarHBondContact O-CB 3.38Å; S408-D412 PolarHBondContact O-N 2.79Å; S408-D412 PolarHBondContact OG-OD2 2.88Å; M409-D412 PolarHBondContact O-N 3.04Å; Y410-D412 VanDerWaalsContact C-N 3.34Å |
| 413 | N | 80.8 | Confident | 83.9 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | trans | -143.8 | 81.9 | 179 | -169.1 | -0.4 | 0 | 0 | 0 | 113.3 | M409 Y410 S415 N416 | M409-N413 PolarHBondContact O-N 3.13Å; Y410-N413 CarbonylContact O-C 3.6Å; Y410-N413 VanDerWaalsContact O-C 3.22Å; Y410-N413 PolarHBondContact O-N 3.01Å; N413-S415 PolarHBondContact O-N 3.25Å; N413-S415 VanDerWaalsContact O-N 3.17Å; N413-S415 PolarHBondContact OD1-OG 2.73Å; N413-N416 WeakPolarHBondContact O-CB 2.92Å; N413-N416 PolarHBondContact O-N 3.28Å | ||
| 414 | P | 78.6 | Confident | 83.9 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.9 | -175.9 | -21.1 | 31.8 | 0 | 0 | 0 | 114.6 | Y410 N416 T519 | Y410-P414 HydrophobicContact CE2-CB 4.33Å; Y410-P414 VanDerWaalsContact O-CA 3.26Å; Y410-P414 WeakPolarHBondContact O-CA 3.45Å; Y410-P414 WeakPolarHBondContact O-CD 3.28Å; Y410-P414 WeakPolarHBondContact O-CG 3.49Å; P414-N416 VanDerWaalsContact C-N 3.3Å; P414-T519 HydrophobicContact CG-CG2 4.32Å |
| 415 | S | 77 | Confident | 84 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 68% | 0.678 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.9 | 179.5 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | N413 E417 | N413-S415 PolarHBondContact O-N 3.25Å; N413-S415 VanDerWaalsContact O-N 3.17Å; N413-S415 PolarHBondContact OD1-OG 2.73Å; S415-E417 PolarHBondContact O-N 3.2Å |
| 416 | N | 82 | Confident | 84 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | trans | -74.9 | 91.2 | 173.4 | -171.2 | -23.4 | 0 | 0 | 0 | 110.8 | N413 P414 G418 C419 K420 | N413-N416 WeakPolarHBondContact O-CB 2.92Å; N413-N416 PolarHBondContact O-N 3.28Å; P414-N416 VanDerWaalsContact C-N 3.3Å; N416-G418 PolarHBondContact O-N 2.89Å; N416-G418 PolarHBondContact OD1-N 2.83Å; N416-C419 HydrophobicContact CB-CB 3.91Å; N416-C419 WeakPolarHBondContact O-CB 3.37Å; N416-C419 PolarHBondContact O-N 3.42Å; N416-C419 VanDerWaalsContact O-N 3.09Å; N416-C419 PolarHBondContact OD1-N 2.87Å; N416-C419 VanDerWaalsContact OD1-N 3.1Å; N416-K420 PolarHBondContact O-N 3.43Å | ||
| 417 | E | 80.5 | Confident | 84.2 | Confident | 130 Ų | 130 | 42.8 Ų | 42.8 | 61% | 0.607 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -50.2 | -41.2 | 177.2 | -80.9 | -75.8 | 134.9 | 0 | 0 | 112.9 | S415 K420 D421 | S415-E417 PolarHBondContact O-N 3.2Å; E417-K420 WeakPolarHBondContact O-CB 3.19Å; E417-K420 PolarHBondContact O-N 3.33Å; E417-D421 WeakPolarHBondContact O-CB 3.27Å; E417-D421 PolarHBondContact O-N 3.33Å |
| 418 | G | 81.6 | Confident | 84.2 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.5 | -36.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y317 N416 I422 | Y317-G418 VanDerWaalsContact CE1-CA 3.44Å; Y317-G418 WeakPolarHBondContact OH-CA 2.76Å; N416-G418 PolarHBondContact O-N 2.89Å; N416-G418 PolarHBondContact OD1-N 2.83Å; G418-I422 WeakPolarHBondContact O-CG1 3.29Å; G418-I422 PolarHBondContact O-N 2.92Å; G418-I422 VanDerWaalsContact O-N 3.14Å |
| 419 | C | 84.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 172.4 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | L368 N416 L423 | L368-C419 HydrophobicContact CD1-CB 3.97Å; N416-C419 HydrophobicContact CB-CB 3.91Å; N416-C419 WeakPolarHBondContact O-CB 3.37Å; N416-C419 PolarHBondContact O-N 3.42Å; N416-C419 VanDerWaalsContact O-N 3.09Å; N416-C419 PolarHBondContact OD1-N 2.87Å; N416-C419 VanDerWaalsContact OD1-N 3.1Å; C419-L423 WeakPolarHBondContact O-CB 3.06Å; C419-L423 PolarHBondContact O-N 3.23Å |
| 420 | K | 85 | Confident | 84.4 | Confident | 60 Ų | 60 | 36.8 Ų | 36.8 | 26% | 0.261 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 176.8 | -177.5 | -175.9 | 174.1 | -172.1 | 0 | 111.7 | Y410 N416 E417 L423 L424 L513 | Y410-K420 HydrophobicContact CD2-CB 4.33Å; Y410-K420 HydrophobicContact CE2-CB 4.06Å; Y410-K420 HydrophobicContact CE2-CG 4.22Å; N416-K420 PolarHBondContact O-N 3.43Å; E417-K420 WeakPolarHBondContact O-CB 3.19Å; E417-K420 PolarHBondContact O-N 3.33Å; K420-L423 PolarHBondContact O-N 2.84Å; K420-L424 HydrophobicContact CG-CD1 4.31Å; K420-L424 WeakPolarHBondContact O-CG 3.48Å; K420-L424 PolarHBondContact O-N 3.02Å; K420-L513 HydrophobicContact CG-CD1 4.22Å |
| 421 | D | 84.5 | Confident | 84.6 | Confident | 51 Ų | 51 | 37.5 Ų | 37.5 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 178.8 | 176.5 | 59.5 | 0 | 0 | 0 | 112 | E417 L423 L424 K425 | E417-D421 WeakPolarHBondContact O-CB 3.27Å; E417-D421 PolarHBondContact O-N 3.33Å; D421-L423 VanDerWaalsContact C-N 3.33Å; D421-L423 PolarHBondContact O-N 2.72Å; D421-L424 PolarHBondContact O-N 3.1Å; D421-K425 VanDerWaalsContact CG-NZ 3.25Å; D421-K425 WeakPolarHBondContact O-CG 3.29Å; D421-K425 PolarHBondContact O-N 2.83Å; D421-K425 VanDerWaalsContact OD1-CE 3.28Å; D421-K425 WeakPolarHBondContact OD1-CE 3.28Å; D421-K425 IonicContact OD1-NZ 2.66Å; D421-K425 PolarHBondContact OD1-NZ 2.91Å; D421-K425 VanDerWaalsContact OD1-NZ 3.11Å; D421-K425 WeakPolarHBondContact OD2-CE 3.43Å; D421-K425 IonicContact OD2-NZ 3.63Å; D421-K425 PolarHBondContact OD2-NZ 2.92Å |
| 422 | I | 86.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.8 | -71.5 | 171 | 0 | 0 | 0 | 111.3 | Y317 L368 P369 V374 L406 G418 L424 K425 M426 | Y317-I422 HydrophobicContact CE1-CD1 4.12Å; L368-I422 HydrophobicContact CD1-CD1 4.07Å; L368-I422 HydrophobicContact CD2-CD1 3.76Å; L368-I422 HydrophobicContact CG-CD1 3.64Å; P369-I422 HydrophobicContact CB-CD1 4.49Å; P369-I422 HydrophobicContact CB-CG2 4.27Å; P369-I422 HydrophobicContact CG-CG2 4.33Å; P369-I422 WeakPolarHBondContact O-CD1 3.27Å; V374-I422 HydrophobicContact CG2-CG2 4.12Å; L406-I422 HydrophobicContact CD1-CG2 4.09Å; L406-I422 HydrophobicContact CD2-CG2 4.08Å; G418-I422 WeakPolarHBondContact O-CG1 3.29Å; G418-I422 PolarHBondContact O-N 2.92Å; G418-I422 VanDerWaalsContact O-N 3.14Å; I422-L424 VanDerWaalsContact C-N 3.34Å; I422-L424 PolarHBondContact O-N 2.91Å; I422-K425 PolarHBondContact O-N 2.77Å; I422-M426 HydrophobicContact CG2-CG 4.34Å; I422-M426 WeakPolarHBondContact O-CB 3.16Å; I422-M426 WeakPolarHBondContact O-CG 3.17Å; I422-M426 PolarHBondContact O-N 2.87Å |
| 423 | L | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 179.2 | -173.9 | 62.8 | 0 | 0 | 0 | 111.5 | L406 L407 Y410 C419 K420 D421 M426 Y427 F462 F466 L513 | L406-L423 HydrophobicContact CB-CD1 3.95Å; L407-L423 HydrophobicContact CD2-CD1 4.45Å; L407-L423 HydrophobicContact CD2-CD2 4.33Å; L407-L423 HydrophobicContact CG-CD1 4.33Å; Y410-L423 HydrophobicContact CD1-CD2 4.14Å; Y410-L423 HydrophobicContact CD2-CD2 4.44Å; Y410-L423 HydrophobicContact CG-CD2 3.85Å; C419-L423 WeakPolarHBondContact O-CB 3.06Å; C419-L423 PolarHBondContact O-N 3.23Å; K420-L423 PolarHBondContact O-N 2.84Å; D421-L423 VanDerWaalsContact C-N 3.33Å; D421-L423 PolarHBondContact O-N 2.72Å; L423-M426 PolarHBondContact O-N 2.91Å; L423-Y427 PolarHBondContact O-N 3.44Å; L423-F462 HydrophobicContact CD1-CE2 3.91Å; L423-F462 HydrophobicContact CD1-CZ 3.83Å; L423-F466 HydrophobicContact CD1-CZ 4.05Å; L423-F466 HydrophobicContact CD2-CZ 4.24Å; L423-F466 HydrophobicContact CG-CE1 4.12Å; L423-F466 HydrophobicContact CG-CZ 3.76Å; L423-L513 HydrophobicContact CD2-CD1 3.95Å; L423-L513 HydrophobicContact CD2-CD2 3.6Å; L423-L513 HydrophobicContact CD2-CG 4.38Å; L423-L513 HydrophobicContact CG-CD2 4.45Å |
| 424 | L | 88.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 173 | -71.1 | 171.1 | 0 | 0 | 0 | 112.3 | K420 D421 I422 Y427 T428 F466 L507 T508 I511 | K420-L424 HydrophobicContact CG-CD1 4.31Å; K420-L424 WeakPolarHBondContact O-CG 3.48Å; K420-L424 PolarHBondContact O-N 3.02Å; D421-L424 PolarHBondContact O-N 3.1Å; I422-L424 VanDerWaalsContact C-N 3.34Å; I422-L424 PolarHBondContact O-N 2.91Å; L424-Y427 WeakPolarHBondContact O-CB 3.38Å; L424-Y427 PolarHBondContact O-N 3.41Å; L424-T428 PolarHBondContact O-N 3.18Å; L424-T428 PolarHBondContact O-OG1 3.39Å; L424-F466 HydrophobicContact CD2-CE1 4.46Å; L424-L507 HydrophobicContact CB-CB 4.36Å; L424-T508 HydrophobicContact CD1-CG2 4.09Å; L424-I511 HydrophobicContact CD2-CB 3.92Å; L424-I511 HydrophobicContact CD2-CG2 3.63Å; L424-I511 WeakPolarHBondContact CD2-O 3.34Å |
| 425 | K | 88.1 | Confident | 83.4 | Confident | 17 Ų | 17 | 26.3 Ų | 26.3 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 174.3 | -73.2 | 170.6 | -176 | 160.1 | 0 | 111.9 | E371 V374 D421 I422 T428 I429 W502 L507 | E371-K425 HydrophobicContact CG-CD 4.15Å; E371-K425 IonicContact OE1-NZ 3.64Å; E371-K425 PolarHBondContact OE1-NZ 3.39Å; E371-K425 IonicContact OE2-NZ 3.59Å; V374-K425 HydrophobicContact CG1-CB 3.8Å; D421-K425 VanDerWaalsContact CG-NZ 3.25Å; D421-K425 WeakPolarHBondContact O-CG 3.29Å; D421-K425 PolarHBondContact O-N 2.83Å; D421-K425 VanDerWaalsContact OD1-CE 3.28Å; D421-K425 WeakPolarHBondContact OD1-CE 3.28Å; D421-K425 IonicContact OD1-NZ 2.66Å; D421-K425 PolarHBondContact OD1-NZ 2.91Å; D421-K425 VanDerWaalsContact OD1-NZ 3.11Å; D421-K425 WeakPolarHBondContact OD2-CE 3.43Å; D421-K425 IonicContact OD2-NZ 3.63Å; D421-K425 PolarHBondContact OD2-NZ 2.92Å; I422-K425 PolarHBondContact O-N 2.77Å; K425-T428 VanDerWaalsContact O-CB 3.24Å; K425-T428 WeakPolarHBondContact O-CB 3.16Å; K425-T428 PolarHBondContact O-N 3.24Å; K425-I429 WeakPolarHBondContact O-CG1 3.09Å; K425-I429 PolarHBondContact O-N 2.87Å; K425-W502 HydrophobicContact CB-CE3 4.48Å; K425-W502 HydrophobicContact CB-CH2 4.4Å; K425-W502 HydrophobicContact CB-CZ3 3.74Å; K425-W502 HydrophobicContact CD-CE3 4.3Å; K425-W502 HydrophobicContact CD-CZ3 4.13Å; K425-W502 HydrophobicContact CG-CE3 4.07Å; K425-W502 HydrophobicContact CG-CZ3 3.81Å; K425-L507 HydrophobicContact CG-CD1 3.84Å |
| 426 | M | 89.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 173 | -72.3 | -57.5 | -64.3 | 0 | 0 | 112.2 | M363 V374 L377 L399 L403 L406 I422 L423 T428 I429 S430 | M363-M426 HydrophobicContact CE-CE 4.33Å; M363-M426 HydrophobicContact CE-SD 3.69Å; V374-M426 HydrophobicContact CG1-SD 4.24Å; V374-M426 HydrophobicContact CG2-SD 4.48Å; L377-M426 HydrophobicContact CD2-CE 3.75Å; L377-M426 HydrophobicContact CD2-SD 3.9Å; L399-M426 HydrophobicContact CD1-CE 3.49Å; L399-M426 VanDerWaalsContact CD1-CE 3.49Å; L403-M426 HydrophobicContact CD2-CB 4.08Å; L403-M426 HydrophobicContact CD2-CE 3.67Å; L406-M426 HydrophobicContact CD1-CG 3.75Å; I422-M426 HydrophobicContact CG2-CG 4.34Å; I422-M426 WeakPolarHBondContact O-CB 3.16Å; I422-M426 WeakPolarHBondContact O-CG 3.17Å; I422-M426 PolarHBondContact O-N 2.87Å; L423-M426 PolarHBondContact O-N 2.91Å; M426-T428 VanDerWaalsContact C-N 3.3Å; M426-T428 PolarHBondContact O-N 3Å; M426-I429 PolarHBondContact O-N 3.3Å; M426-I429 HydrophobicContact SD-CD1 3.87Å; M426-S430 VanDerWaalsContact O-CB 3.3Å; M426-S430 WeakPolarHBondContact O-CB 3.29Å; M426-S430 PolarHBondContact O-N 2.98Å |
| 427 | Y | 89.2 | Confident | 81.8 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 2% | 0.024 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.1 | -47.7 | 169 | 178 | -92 | 0 | 0 | 0 | 111.2 | L423 L424 I429 S430 R431 F462 H463 F466 D468 W475 I511 | L423-Y427 PolarHBondContact O-N 3.44Å; L424-Y427 WeakPolarHBondContact O-CB 3.38Å; L424-Y427 PolarHBondContact O-N 3.41Å; Y427-I429 PolarHBondContact O-N 2.83Å; Y427-S430 WeakPolarHBondContact CA-OG 3.33Å; Y427-S430 CarbonylContact O-C 3.53Å; Y427-S430 WeakPolarHBondContact O-CA 3.25Å; Y427-S430 WeakPolarHBondContact O-CB 3.46Å; Y427-S430 PolarHBondContact O-N 3.44Å; Y427-S430 VanDerWaalsContact O-N 3.09Å; Y427-S430 PolarHBondContact O-OG 3.32Å; Y427-R431 HydrophobicContact CD1-CG 4.02Å; Y427-R431 HydrophobicContact CE1-CG 3.47Å; Y427-R431 VanDerWaalsContact CE1-CG 3.47Å; Y427-R431 HydrophobicContact CE2-CG 4.14Å; Y427-R431 WeakPolarHBondContact O-CG 3.06Å; Y427-R431 PolarHBondContact O-N 2.96Å; Y427-R431 VanDerWaalsContact OH-CD 3.24Å; Y427-R431 WeakPolarHBondContact OH-CD 3.38Å; Y427-R431 PolarHBondContact OH-NE 2.85Å; Y427-F462 HydrophobicContact CD2-CE1 4.46Å; Y427-H463 AromaticContact CD2-CD2 3.97Å; Y427-H463 HydrophobicContact CE2-CB 4.22Å; Y427-H463 AromaticContact CE2-CD2 3.62Å; Y427-F466 HydrophobicContact CD2-CB 3.83Å; Y427-F466 AromaticContact CD2-CD1 3.99Å; Y427-F466 HydrophobicContact CD2-CD1 3.99Å; Y427-F466 AromaticContact CD2-CD2 3.32Å; Y427-F466 HydrophobicContact CD2-CD2 3.32Å; Y427-F466 HydrophobicContact CD2-CE1 4.36Å; Y427-F466 AromaticContact CD2-CE2 3.78Å; Y427-F466 HydrophobicContact CD2-CE2 3.78Å; Y427-F466 AromaticContact CD2-CG 3.44Å; Y427-F466 HydrophobicContact CD2-CG 3.44Å; Y427-F466 VanDerWaalsContact CD2-CG 3.44Å; Y427-F466 HydrophobicContact CD2-CZ 4.27Å; Y427-F466 HydrophobicContact CE2-CB 3.63Å; Y427-F466 AromaticContact CE2-CD2 3.82Å; Y427-F466 HydrophobicContact CE2-CD2 3.82Å; Y427-F466 AromaticContact CE2-CG 3.8Å; Y427-F466 HydrophobicContact CE2-CG 3.8Å; Y427-F466 HydrophobicContact CG-CD1 4.14Å; Y427-F466 HydrophobicContact CG-CD2 4.21Å; Y427-F466 HydrophobicContact CG-CE1 4.36Å; Y427-F466 HydrophobicContact CG-CE2 4.45Å; Y427-F466 HydrophobicContact CG-CG 4.05Å; Y427-D468 HydrophobicContact CE1-CB 3.97Å; Y427-D468 WeakPolarHBondContact CE1-OD2 3.28Å; Y427-D468 WeakPolarHBondContact OH-CB 3.49Å; Y427-D468 VanDerWaalsContact OH-CG 3.23Å; Y427-D468 PolarHBondContact OH-OD2 2.82Å; Y427-W475 HydrophobicContact CE1-CZ2 4.23Å; Y427-I511 HydrophobicContact CD1-CB 4.46Å; Y427-I511 HydrophobicContact CD1-CD1 3.59Å; Y427-I511 HydrophobicContact CD1-CG1 4Å; Y427-I511 HydrophobicContact CD1-CG2 3.66Å; Y427-I511 HydrophobicContact CE1-CB 4.49Å; Y427-I511 HydrophobicContact CE1-CD1 3.75Å; Y427-I511 HydrophobicContact CE1-CG1 3.79Å; Y427-I511 HydrophobicContact CE1-CG2 3.82Å; Y427-I511 HydrophobicContact CG-CG2 4.14Å |
| 428 | T | 87.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.4 | -50.2 | 177.4 | -52.3 | 0 | 0 | 0 | 0 | 112 | L424 K425 M426 S430 R431 L432 W475 W505 L507 | L424-T428 PolarHBondContact O-N 3.18Å; L424-T428 PolarHBondContact O-OG1 3.39Å; K425-T428 VanDerWaalsContact O-CB 3.24Å; K425-T428 WeakPolarHBondContact O-CB 3.16Å; K425-T428 PolarHBondContact O-N 3.24Å; M426-T428 VanDerWaalsContact C-N 3.3Å; M426-T428 PolarHBondContact O-N 3Å; T428-S430 VanDerWaalsContact C-N 3.27Å; T428-S430 PolarHBondContact O-N 3.49Å; T428-R431 PolarHBondContact O-N 3.43Å; T428-R431 VanDerWaalsContact O-N 3.12Å; T428-L432 HydrophobicContact CG2-CD1 4.39Å; T428-L432 WeakPolarHBondContact O-CG 3.45Å; T428-L432 PolarHBondContact O-N 2.85Å; T428-W475 HydrophobicContact CG2-CH2 3.85Å; T428-W475 HydrophobicContact CG2-CZ3 3.53Å; T428-W505 HydrophobicContact CG2-CE3 3.39Å; T428-W505 HydrophobicContact CG2-CZ3 3.29Å; T428-L507 HydrophobicContact CG2-CD2 4.08Å; T428-L507 WeakPolarHBondContact OG1-CD2 3.44Å |
| 429 | I | 87.8 | Confident | 79 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 174.8 | -65.6 | 171.7 | 0 | 0 | 0 | 110.5 | V374 L377 A378 I381 K425 M426 Y427 R431 L432 L433 W502 | V374-I429 HydrophobicContact CG1-CD1 3.64Å; L377-I429 HydrophobicContact CD2-CD1 4.16Å; L377-I429 HydrophobicContact CG-CD1 4.49Å; A378-I429 HydrophobicContact CB-CD1 3.85Å; A378-I429 HydrophobicContact CB-CG1 3.8Å; I381-I429 HydrophobicContact CD1-CG2 3.93Å; K425-I429 WeakPolarHBondContact O-CG1 3.09Å; K425-I429 PolarHBondContact O-N 2.87Å; M426-I429 PolarHBondContact O-N 3.3Å; M426-I429 HydrophobicContact SD-CD1 3.87Å; Y427-I429 PolarHBondContact O-N 2.83Å; I429-R431 PolarHBondContact O-N 3.28Å; I429-L432 PolarHBondContact O-N 2.93Å; I429-L433 HydrophobicContact CG2-CD1 4.45Å; I429-L433 PolarHBondContact O-N 3.28Å; I429-W502 HydrophobicContact CD1-CH2 3.82Å; I429-W502 HydrophobicContact CD1-CZ2 4.5Å; I429-W502 HydrophobicContact CG1-CH2 3.54Å; I429-W502 HydrophobicContact CG1-CZ2 3.83Å |
| 430 | S | 87.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -28.3 | -178.6 | 83.7 | 0 | 0 | 0 | 0 | 112.8 | M426 Y427 T428 H463 | M426-S430 VanDerWaalsContact O-CB 3.3Å; M426-S430 WeakPolarHBondContact O-CB 3.29Å; M426-S430 PolarHBondContact O-N 2.98Å; Y427-S430 WeakPolarHBondContact CA-OG 3.33Å; Y427-S430 CarbonylContact O-C 3.53Å; Y427-S430 WeakPolarHBondContact O-CA 3.25Å; Y427-S430 WeakPolarHBondContact O-CB 3.46Å; Y427-S430 PolarHBondContact O-N 3.44Å; Y427-S430 VanDerWaalsContact O-N 3.09Å; Y427-S430 PolarHBondContact O-OG 3.32Å; T428-S430 VanDerWaalsContact C-N 3.27Å; T428-S430 PolarHBondContact O-N 3.49Å; S430-H463 PolarHBondContact O-NE2 2.69Å; S430-H463 PolarHBondContact OG-CD2 2.75Å; S430-H463 VanDerWaalsContact OG-CD2 3.25Å; S430-H463 PolarHBondContact OG-NE2 3.08Å |
| 431 | R | 86 | Confident | 75.1 | Confident | 60 Ų | 60 | 29.8 Ų | 29.8 | 23% | 0.226 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -78.3 | -38.3 | 173.7 | -66.1 | -64.8 | -74 | 162.9 | -0.4 | 112.4 | Y427 T428 I429 L433 G434 P435 H463 D468 W475 | Y427-R431 HydrophobicContact CD1-CG 4.02Å; Y427-R431 HydrophobicContact CE1-CG 3.47Å; Y427-R431 VanDerWaalsContact CE1-CG 3.47Å; Y427-R431 HydrophobicContact CE2-CG 4.14Å; Y427-R431 WeakPolarHBondContact O-CG 3.06Å; Y427-R431 PolarHBondContact O-N 2.96Å; Y427-R431 VanDerWaalsContact OH-CD 3.24Å; Y427-R431 WeakPolarHBondContact OH-CD 3.38Å; Y427-R431 PolarHBondContact OH-NE 2.85Å; T428-R431 PolarHBondContact O-N 3.43Å; T428-R431 VanDerWaalsContact O-N 3.12Å; I429-R431 PolarHBondContact O-N 3.28Å; R431-L433 PolarHBondContact O-N 3.08Å; R431-G434 PolarHBondContact O-N 2.76Å; R431-P435 VanDerWaalsContact O-CD 3.25Å; R431-P435 WeakPolarHBondContact O-CD 3.26Å; R431-H463 WeakPolarHBondContact CD-NE2 2.91Å; R431-D468 IonicContact NE-OD2 2.97Å; R431-D468 PolarHBondContact NE-OD2 2.76Å; R431-W475 HydrophobicContact CB-CD2 3.59Å; R431-W475 HydrophobicContact CB-CE3 3.81Å; R431-W475 HydrophobicContact CB-CG 3.98Å; R431-W475 HydrophobicContact CB-CH2 4.4Å; R431-W475 HydrophobicContact CB-CZ2 4.22Å; R431-W475 HydrophobicContact CB-CZ3 4.22Å; R431-W475 HydrophobicContact CG-CD2 4.29Å; R431-W475 HydrophobicContact CG-CZ2 4.16Å |
| 432 | L | 83.5 | Confident | 72.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -26.6 | 174.6 | -63.6 | 170 | 0 | 0 | 0 | 112.6 | L382 T428 I429 G434 P435 W475 R478 T479 Y482 W505 | L382-L432 HydrophobicContact CD1-CB 3.69Å; L382-L432 HydrophobicContact CD1-CD1 3.49Å; L382-L432 VanDerWaalsContact CD1-CD1 3.49Å; L382-L432 HydrophobicContact CD1-CG 4.2Å; L382-L432 HydrophobicContact CD2-CB 3.65Å; L382-L432 HydrophobicContact CG-CB 4.34Å; T428-L432 HydrophobicContact CG2-CD1 4.39Å; T428-L432 WeakPolarHBondContact O-CG 3.45Å; T428-L432 PolarHBondContact O-N 2.85Å; I429-L432 PolarHBondContact O-N 2.93Å; L432-G434 VanDerWaalsContact C-N 3.3Å; L432-P435 WeakPolarHBondContact O-CD 3.48Å; L432-W475 HydrophobicContact CD2-CE3 4.05Å; L432-W475 HydrophobicContact CG-CE3 4.37Å; L432-R478 HydrophobicContact CD2-CB 3.6Å; L432-T479 PolarHBondContact O-OG1 3.21Å; L432-Y482 HydrophobicContact CD1-CD2 4.38Å; L432-Y482 HydrophobicContact CD1-CE2 4.2Å; L432-W505 HydrophobicContact CD1-CH2 3.78Å; L432-W505 HydrophobicContact CD1-CZ3 3.84Å; L432-W505 HydrophobicContact CD2-CH2 4.25Å |
| 433 | L | 79.7 | Confident | 70.5 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -27.4 | 171.2 | -87.2 | 169.8 | 0 | 0 | 0 | 113.5 | I381 L399 I429 R431 L436 V437 L459 | I381-L433 HydrophobicContact CD1-CD1 4.45Å; I381-L433 HydrophobicContact CG2-CD1 4.03Å; I381-L433 HydrophobicContact CG2-CD2 3.23Å; I381-L433 HydrophobicContact CG2-CG 3.65Å; L399-L433 HydrophobicContact CD2-CD1 4.34Å; I429-L433 HydrophobicContact CG2-CD1 4.45Å; I429-L433 PolarHBondContact O-N 3.28Å; R431-L433 PolarHBondContact O-N 3.08Å; L433-L436 HydrophobicContact CD2-CD1 4.45Å; L433-L436 PolarHBondContact O-N 2.92Å; L433-V437 WeakPolarHBondContact O-CG2 3.28Å; L433-V437 PolarHBondContact O-N 3.28Å; L433-L459 HydrophobicContact CB-CD1 4.24Å |
| 434 | G | 70.7 | Confident | 68 | Low | 17 Ų | 17 | 52.1 Ų | 52.1 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.8 | -54.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R431 L432 L436 V437 I438 | R431-G434 PolarHBondContact O-N 2.76Å; L432-G434 VanDerWaalsContact C-N 3.3Å; G434-L436 VanDerWaalsContact C-N 3.28Å; G434-L436 PolarHBondContact O-N 3.42Å; G434-V437 PolarHBondContact O-N 2.87Å; G434-V437 VanDerWaalsContact O-N 3.14Å; G434-I438 WeakPolarHBondContact O-CG1 3.45Å; G434-I438 PolarHBondContact O-N 2.98Å |
| 435 | P | 65.5 | Low | 65.7 | Low | 32 Ų | 32 | 55.3 Ų | 55.3 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -36.2 | 176.9 | -27.9 | 35.4 | 0 | 0 | 0 | 114.3 | R431 L432 V437 I438 S439 | R431-P435 VanDerWaalsContact O-CD 3.25Å; R431-P435 WeakPolarHBondContact O-CD 3.26Å; L432-P435 WeakPolarHBondContact O-CD 3.48Å; P435-V437 VanDerWaalsContact C-N 3.29Å; P435-V437 PolarHBondContact O-N 3.21Å; P435-I438 PolarHBondContact O-N 2.82Å; P435-S439 VanDerWaalsContact O-CB 3.24Å; P435-S439 WeakPolarHBondContact O-CB 3.33Å; P435-S439 PolarHBondContact O-N 3.49Å; P435-S439 PolarHBondContact O-OG 2.97Å |
| 436 | L | 62.6 | Low | 63.4 | Low | 31 Ų | 31 | 66.8 Ų | 66.8 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.5 | -28 | 179.5 | -66.8 | 169.9 | 0 | 0 | 0 | 112.7 | L382 L433 G434 T479 | L382-L436 HydrophobicContact CD2-CD1 3.64Å; L433-L436 HydrophobicContact CD2-CD1 4.45Å; L433-L436 PolarHBondContact O-N 2.92Å; G434-L436 VanDerWaalsContact C-N 3.28Å; G434-L436 PolarHBondContact O-N 3.42Å; L436-T479 HydrophobicContact CG-CG2 4.29Å |
| 437 | V | 62.1 | Low | 61.2 | Low | 20 Ų | 20 | 71.8 Ų | 71.8 | 12% | 0.121 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -81.7 | -30.9 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | L433 G434 P435 K452 L455 V456 | L433-V437 WeakPolarHBondContact O-CG2 3.28Å; L433-V437 PolarHBondContact O-N 3.28Å; G434-V437 PolarHBondContact O-N 2.87Å; G434-V437 VanDerWaalsContact O-N 3.14Å; P435-V437 VanDerWaalsContact C-N 3.29Å; P435-V437 PolarHBondContact O-N 3.21Å; V437-K452 HydrophobicContact CG1-CB 4.41Å; V437-K452 HydrophobicContact CG1-CG 4.37Å; V437-L455 HydrophobicContact CG2-CD2 3.62Å; V437-L455 HydrophobicContact CG2-CG 4.38Å; V437-V456 HydrophobicContact CG1-CG2 3.73Å |
| 438 | I | 54 | Low | 59.3 | Low | 117 Ų | 117 | 74.9 Ų | 74.9 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -91.4 | -30.5 | -173.8 | -60.2 | 166.7 | 0 | 0 | 0 | 112.4 | G434 P435 T440 D441 | G434-I438 WeakPolarHBondContact O-CG1 3.45Å; G434-I438 PolarHBondContact O-N 2.98Å; P435-I438 PolarHBondContact O-N 2.82Å; I438-T440 PolarHBondContact O-N 3.12Å; I438-D441 PolarHBondContact O-N 2.92Å |
| 439 | S | 49.9 | Very low | 58 | Low | 87 Ų | 87 | 77.4 Ų | 77.4 | 61% | 0.608 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 11.1 | -172.2 | 73.8 | 0 | 0 | 0 | 0 | 116 | P435 | P435-S439 VanDerWaalsContact O-CB 3.24Å; P435-S439 WeakPolarHBondContact O-CB 3.33Å; P435-S439 PolarHBondContact O-N 3.49Å; P435-S439 PolarHBondContact O-OG 2.97Å |
| 440 | T | 47.3 | Very low | 56.8 | Low | 59 Ų | 59 | 84.9 Ų | 84.9 | 36% | 0.362 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 3.4 | 177.5 | 45.9 | 0 | 0 | 0 | 0 | 113.6 | I438 N442 K452 | I438-T440 PolarHBondContact O-N 3.12Å; T440-N442 VanDerWaalsContact C-N 3.28Å; T440-N442 PolarHBondContact O-N 3.16Å; T440-K452 PolarHBondContact OG1-NZ 2.97Å |
| 441 | D | 38.7 | Very low | 55.7 | Low | 115 Ų | 115 | 88.6 Ų | 88.6 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | trans | -83.3 | 73.7 | 172.4 | -75.5 | -19.5 | 0 | 0 | 0 | 110.6 | I438 | I438-D441 PolarHBondContact O-N 2.92Š| ||
| 442 | N | 38.3 | Very low | 54.8 | Low | 146 Ų | 146 | 87.5 Ų | 87.5 | 78% | 0.781 | 46% | 0.461 | S | S | * | . | trans | -66.7 | 130.4 | 144.6 | -98.4 | -17.8 | 0 | 0 | 0 | 106.8 | T440 L444 | T440-N442 VanDerWaalsContact C-N 3.28Å; T440-N442 PolarHBondContact O-N 3.16Å; N442-L444 PolarHBondContact O-N 3Å | ||
| 443 | E | 36 | Very low | 54.3 | Low | 201 Ų | 201 | 93.7 Ų | 93.7 | 94% | 0.939 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 13.8 | -171.1 | -71.1 | -162.5 | 139.6 | 0 | 0 | 117.4 | ||
| 444 | L | 37.3 | Very low | 54 | Low | 173 Ų | 173 | 98.3 Ų | 98.3 | 91% | 0.906 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -5.8 | 180 | -105.9 | 88.8 | 0 | 0 | 0 | 116.7 | N442 | N442-L444 PolarHBondContact O-N 3Š|
| 445 | S | 39 | Very low | 54.3 | Low | 70 Ų | 70 | 97.8 Ų | 97.8 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | trans | -114.5 | 94.2 | 179.3 | 104.3 | 0 | 0 | 0 | 0 | 112.7 | T447 | S445-T447 PolarHBondContact O-N 3.45Š| ||
| 446 | R | 40.3 | Very low | 54.9 | Low | 258 Ų | 258 | 100 Ų | 100 | 97% | 0.974 | 52% | 0.515 | S | S | * | . | trans | -73.8 | 21.6 | 178.8 | -119 | 178.9 | 178.5 | 171.2 | 0.1 | 114.4 | ||||
| 447 | T | 42 | Very low | 55.9 | Low | 107 Ų | 107 | 102.1 Ų | 102.1 | 66% | 0.656 | 53% | 0.529 | S | S | * | . | trans | -126.6 | 79.3 | 179.6 | 41.2 | 0 | 0 | 0 | 0 | 109.7 | S445 T449 | S445-T447 PolarHBondContact O-N 3.45Å; T447-T449 PolarHBondContact O-N 3.28Å | ||
| 448 | C | 49.2 | Very low | 56.9 | Low | 70 Ų | 70 | 102.4 Ų | 102.4 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | trans | -55.4 | 106.3 | 157.3 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 449 | T | 61.2 | Low | 58.3 | Low | 53 Ų | 53 | 97.2 Ų | 97.2 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | trans | -55.4 | 140.9 | -179.6 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | T447 K451 K452 K453 | T447-T449 PolarHBondContact O-N 3.28Å; T449-K451 PolarHBondContact O-N 3.12Å; T449-K452 PolarHBondContact O-N 3.07Å; T449-K453 PolarHBondContact O-N 3.49Å | ||
| 450 | Q | 62.9 | Low | 59.9 | Low | 158 Ų | 158 | 94.9 Ų | 94.9 | 74% | 0.738 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -52.1 | -22.9 | -179.3 | -172.7 | 161.5 | -12.4 | 0 | 0 | 113.2 | H454 | Q450-H454 PolarHBondContact O-N 2.91Å; Q450-H454 PolarHBondContact O-ND1 3.4Å |
| 451 | K | 63.9 | Low | 61.7 | Low | 81 Ų | 81 | 99 Ų | 99 | 35% | 0.352 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -52.1 | 174.1 | -51.1 | -173.4 | 174.4 | -130.9 | 0 | 113.3 | A392 D393 T449 K453 H454 L455 | A392-K451 HydrophobicContact CB-CB 4.17Å; D393-K451 WeakPolarHBondContact OD1-CG 3.48Å; D393-K451 VanDerWaalsContact OD2-CD 3.24Å; D393-K451 WeakPolarHBondContact OD2-CD 3.47Å; D393-K451 WeakPolarHBondContact OD2-CE 3.28Å; D393-K451 WeakPolarHBondContact OD2-CG 3.34Å; D393-K451 IonicContact OD2-NZ 2.89Å; D393-K451 PolarHBondContact OD2-NZ 2.63Å; T449-K451 PolarHBondContact O-N 3.12Å; K451-K453 VanDerWaalsContact C-N 3.29Å; K451-K453 PolarHBondContact O-N 3.39Å; K451-H454 PolarHBondContact O-N 3.18Å; K451-L455 PolarHBondContact O-N 2.76Å |
| 452 | K | 67.1 | Low | 64 | Low | 36 Ų | 36 | 93.9 Ų | 93.9 | 16% | 0.157 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 177.7 | -75.4 | -177.4 | -179.7 | 165.4 | 0 | 111.8 | D389 V437 T440 T449 H454 L455 V456 | D389-K452 WeakPolarHBondContact OD1-CE 3.41Å; D389-K452 IonicContact OD1-NZ 3.96Å; V437-K452 HydrophobicContact CG1-CB 4.41Å; V437-K452 HydrophobicContact CG1-CG 4.37Å; T440-K452 PolarHBondContact OG1-NZ 2.97Å; T449-K452 PolarHBondContact O-N 3.07Å; K452-H454 PolarHBondContact O-N 3.03Å; K452-L455 PolarHBondContact O-N 3.26Å; K452-V456 VanDerWaalsContact O-CG2 3.3Å; K452-V456 WeakPolarHBondContact O-CG2 3.41Å; K452-V456 PolarHBondContact O-N 3.41Å |
| 453 | K | 72.2 | Confident | 66.3 | Low | 131 Ų | 131 | 88.3 Ų | 88.3 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.9 | -41.9 | 175.6 | -77.4 | -172.7 | 176.5 | 179.6 | 0 | 113 | T449 K451 T457 | T449-K453 PolarHBondContact O-N 3.49Å; K451-K453 VanDerWaalsContact C-N 3.29Å; K451-K453 PolarHBondContact O-N 3.39Å; K453-T457 WeakPolarHBondContact O-CB 3.38Å; K453-T457 PolarHBondContact O-N 2.75Å; K453-T457 PolarHBondContact O-OG1 3.45Å |
| 454 | H | 74.7 | Confident | 68.7 | Low | 103 Ų | 103 | 82 Ų | 82 | 48% | 0.477 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.6 | -95 | 91.5 | 0 | 0 | 0 | 111.8 | V396 Q450 K451 K452 T457 L458 | V396-H454 HydrophobicContact CG2-CB 4.33Å; Q450-H454 PolarHBondContact O-N 2.91Å; Q450-H454 PolarHBondContact O-ND1 3.4Å; K451-H454 PolarHBondContact O-N 3.18Å; K452-H454 PolarHBondContact O-N 3.03Å; H454-T457 PolarHBondContact O-N 2.74Å; H454-L458 WeakPolarHBondContact O-CB 3.26Å; H454-L458 PolarHBondContact O-N 2.96Å |
| 455 | L | 75.8 | Confident | 70.9 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 178.8 | -176.8 | 60 | 0 | 0 | 0 | 112 | A392 I395 V396 V437 K451 K452 T457 L458 L459 | A392-L455 HydrophobicContact CB-CD2 4.36Å; I395-L455 HydrophobicContact CB-CD1 4.47Å; I395-L455 HydrophobicContact CG2-CD1 3.7Å; V396-L455 HydrophobicContact CG2-CB 3.79Å; V396-L455 HydrophobicContact CG2-CD1 3.84Å; V396-L455 HydrophobicContact CG2-CG 4.42Å; V437-L455 HydrophobicContact CG2-CD2 3.62Å; V437-L455 HydrophobicContact CG2-CG 4.38Å; K451-L455 PolarHBondContact O-N 2.76Å; K452-L455 PolarHBondContact O-N 3.26Å; L455-T457 VanDerWaalsContact C-N 3.27Å; L455-T457 PolarHBondContact O-N 3.48Å; L455-L458 PolarHBondContact O-N 2.88Å; L455-L459 HydrophobicContact CD1-CD1 4.16Å; L455-L459 HydrophobicContact CD1-CG 4.16Å; L455-L459 HydrophobicContact CG-CD1 4.05Å; L455-L459 HydrophobicContact CG-CG 4.45Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 VanDerWaalsContact O-CG 3.32Å; L455-L459 WeakPolarHBondContact O-CG 3.49Å; L455-L459 PolarHBondContact O-N 3.15Å |
| 456 | V | 79.5 | Confident | 73.2 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | V437 K452 G460 | V437-V456 HydrophobicContact CG1-CG2 3.73Å; K452-V456 VanDerWaalsContact O-CG2 3.3Å; K452-V456 WeakPolarHBondContact O-CG2 3.41Å; K452-V456 PolarHBondContact O-N 3.41Å; V456-G460 PolarHBondContact O-N 3.17Å |
| 457 | T | 81.7 | Confident | 75.2 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | K453 H454 L455 K461 | K453-T457 WeakPolarHBondContact O-CB 3.38Å; K453-T457 PolarHBondContact O-N 2.75Å; K453-T457 PolarHBondContact O-OG1 3.45Å; H454-T457 PolarHBondContact O-N 2.74Å; L455-T457 VanDerWaalsContact C-N 3.27Å; L455-T457 PolarHBondContact O-N 3.48Å; T457-K461 WeakPolarHBondContact O-CG 3.46Å; T457-K461 PolarHBondContact O-N 3.32Å |
| 458 | L | 83.3 | Confident | 77 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -50.6 | 176.6 | 177.2 | 68.5 | 0 | 0 | 0 | 111.2 | V396 A400 H454 L455 K461 F462 | V396-L458 HydrophobicContact CB-CD2 4.49Å; V396-L458 HydrophobicContact CG1-CD2 4.41Å; V396-L458 HydrophobicContact CG2-CD2 4.25Å; A400-L458 HydrophobicContact CB-CD1 3.52Å; A400-L458 HydrophobicContact CB-CD2 3.76Å; A400-L458 HydrophobicContact CB-CG 4.3Å; H454-L458 WeakPolarHBondContact O-CB 3.26Å; H454-L458 PolarHBondContact O-N 2.96Å; L455-L458 PolarHBondContact O-N 2.88Å; L458-K461 PolarHBondContact O-N 3.21Å; L458-F462 PolarHBondContact O-N 3.38Å |
| 459 | L | 84.4 | Confident | 78.2 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 179.6 | -67.5 | 175.6 | 0 | 0 | 0 | 111.1 | L433 L455 K461 F462 H463 | L433-L459 HydrophobicContact CB-CD1 4.24Å; L455-L459 HydrophobicContact CD1-CD1 4.16Å; L455-L459 HydrophobicContact CD1-CG 4.16Å; L455-L459 HydrophobicContact CG-CD1 4.05Å; L455-L459 HydrophobicContact CG-CG 4.45Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 VanDerWaalsContact O-CG 3.32Å; L455-L459 WeakPolarHBondContact O-CG 3.49Å; L455-L459 PolarHBondContact O-N 3.15Å; L459-K461 PolarHBondContact O-N 2.65Å; L459-F462 PolarHBondContact O-N 3.24Å; L459-H463 WeakPolarHBondContact O-CB 3.29Å; L459-H463 PolarHBondContact O-CD2 2.9Å; L459-H463 PolarHBondContact O-N 3.21Å; L459-H463 PolarHBondContact O-ND1 2.82Å |
| 460 | G | 83.1 | Confident | 78.8 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V456 H463 S464 | V456-G460 PolarHBondContact O-N 3.17Å; G460-H463 PolarHBondContact O-N 3.02Å; G460-S464 WeakPolarHBondContact O-CB 3.29Å; G460-S464 PolarHBondContact O-N 2.92Å |
| 461 | K | 84.1 | Confident | 79.2 | Confident | 146 Ų | 146 | 57.7 Ų | 57.7 | 64% | 0.635 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 173.5 | -76.8 | -179.3 | 180 | -176.4 | 0 | 111.8 | T457 L458 L459 S464 | T457-K461 WeakPolarHBondContact O-CG 3.46Å; T457-K461 PolarHBondContact O-N 3.32Å; L458-K461 PolarHBondContact O-N 3.21Å; L459-K461 PolarHBondContact O-N 2.65Å; K461-S464 PolarHBondContact O-N 3.33Å; K461-S464 PolarHBondContact O-OG 2.93Å |
| 462 | F | 86.9 | Confident | 79.7 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 178.1 | -174.9 | -116 | 0 | 0 | 0 | 111.8 | L403 L407 L423 Y427 L458 L459 S464 Q465 F466 | L403-F462 HydrophobicContact CB-CD2 4.03Å; L403-F462 HydrophobicContact CB-CE2 4.09Å; L403-F462 HydrophobicContact CD1-CB 4.3Å; L403-F462 HydrophobicContact CD1-CD1 4.07Å; L403-F462 HydrophobicContact CD1-CD2 4.13Å; L403-F462 HydrophobicContact CD1-CE1 4.42Å; L403-F462 HydrophobicContact CD1-CG 3.92Å; L403-F462 HydrophobicContact CD2-CD1 4.35Å; L403-F462 HydrophobicContact CD2-CD2 4.33Å; L403-F462 HydrophobicContact CD2-CE1 3.87Å; L403-F462 HydrophobicContact CD2-CE2 3.91Å; L403-F462 HydrophobicContact CD2-CZ 3.68Å; L403-F462 HydrophobicContact CG-CD2 4.39Å; L403-F462 HydrophobicContact CG-CE2 4.39Å; L407-F462 HydrophobicContact CD1-CD2 3.62Å; L407-F462 HydrophobicContact CD1-CE2 3.78Å; L407-F462 HydrophobicContact CD2-CE2 4.44Å; L407-F462 HydrophobicContact CG-CD2 4.31Å; L407-F462 HydrophobicContact CG-CE2 3.95Å; L423-F462 HydrophobicContact CD1-CE2 3.91Å; L423-F462 HydrophobicContact CD1-CZ 3.83Å; Y427-F462 HydrophobicContact CD2-CE1 4.46Å; L458-F462 PolarHBondContact O-N 3.38Å; L459-F462 PolarHBondContact O-N 3.24Å; F462-S464 VanDerWaalsContact C-N 3.27Å; F462-S464 PolarHBondContact O-N 3.29Å; F462-Q465 WeakPolarHBondContact O-CB 3.33Å; F462-Q465 PolarHBondContact O-N 3.42Å; F462-Q465 VanDerWaalsContact O-N 3.07Å; F462-F466 HydrophobicContact CD1-CE2 4.31Å; F462-F466 HydrophobicContact CD2-CE2 4.23Å; F462-F466 AromaticContact CE1-CE2 3.95Å; F462-F466 HydrophobicContact CE1-CE2 3.95Å; F462-F466 HydrophobicContact CE1-CZ 4.33Å; F462-F466 AromaticContact CE2-CE2 3.82Å; F462-F466 HydrophobicContact CE2-CE2 3.82Å; F462-F466 HydrophobicContact CE2-CZ 4.13Å; F462-F466 HydrophobicContact CG-CE2 4.44Å; F462-F466 AromaticContact CZ-CE2 3.65Å; F462-F466 HydrophobicContact CZ-CE2 3.65Å; F462-F466 AromaticContact CZ-CZ 3.76Å; F462-F466 HydrophobicContact CZ-CZ 3.76Å; F462-F466 VanDerWaalsContact O-CD2 3.26Å; F462-F466 WeakPolarHBondContact O-CD2 3.15Å; F462-F466 WeakPolarHBondContact O-CE2 3.43Å |
| 463 | H | 87.9 | Confident | 80 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 13% | 0.134 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.3 | -33.9 | 178.2 | -64.2 | 163.5 | 0 | 0 | 0 | 112.4 | Y427 S430 R431 L459 G460 Q465 F466 | Y427-H463 AromaticContact CD2-CD2 3.97Å; Y427-H463 HydrophobicContact CE2-CB 4.22Å; Y427-H463 AromaticContact CE2-CD2 3.62Å; S430-H463 PolarHBondContact O-NE2 2.69Å; S430-H463 PolarHBondContact OG-CD2 2.75Å; S430-H463 VanDerWaalsContact OG-CD2 3.25Å; S430-H463 PolarHBondContact OG-NE2 3.08Å; R431-H463 WeakPolarHBondContact CD-NE2 2.91Å; L459-H463 WeakPolarHBondContact O-CB 3.29Å; L459-H463 PolarHBondContact O-CD2 2.9Å; L459-H463 PolarHBondContact O-N 3.21Å; L459-H463 PolarHBondContact O-ND1 2.82Å; G460-H463 PolarHBondContact O-N 3.02Å; H463-Q465 PolarHBondContact O-N 3.39Å; H463-F466 PolarHBondContact O-N 3.03Å; H463-F466 VanDerWaalsContact O-O 3.07Å |
| 464 | S | 85.4 | Confident | 80.3 | Confident | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.9 | 176.3 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | G460 K461 F462 | G460-S464 WeakPolarHBondContact O-CB 3.29Å; G460-S464 PolarHBondContact O-N 2.92Å; K461-S464 PolarHBondContact O-N 3.33Å; K461-S464 PolarHBondContact O-OG 2.93Å; F462-S464 VanDerWaalsContact C-N 3.27Å; F462-S464 PolarHBondContact O-N 3.29Å |
| 465 | Q | 83.8 | Confident | 80.7 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 23% | 0.229 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.3 | 174.2 | -51.2 | -53.6 | -47 | 0 | 0 | 112.9 | L407 F462 H463 V514 I516 | L407-Q465 HydrophobicContact CD1-CG 4.24Å; L407-Q465 HydrophobicContact CD2-CB 4.14Å; L407-Q465 HydrophobicContact CD2-CG 4.17Å; F462-Q465 WeakPolarHBondContact O-CB 3.33Å; F462-Q465 PolarHBondContact O-N 3.42Å; F462-Q465 VanDerWaalsContact O-N 3.07Å; H463-Q465 PolarHBondContact O-N 3.39Å; Q465-V514 WeakPolarHBondContact O-CB 3.15Å; Q465-V514 PolarHBondContact O-N 3.26Å; Q465-I516 HydrophobicContact CG-CD1 4.5Å |
| 466 | F | 87.3 | Confident | 80.7 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.4 | -177.5 | -56.1 | -100.4 | 0 | 0 | 0 | 111.2 | L423 L424 Y427 F462 H463 I511 R512 L513 | L423-F466 HydrophobicContact CD1-CZ 4.05Å; L423-F466 HydrophobicContact CD2-CZ 4.24Å; L423-F466 HydrophobicContact CG-CE1 4.12Å; L423-F466 HydrophobicContact CG-CZ 3.76Å; L424-F466 HydrophobicContact CD2-CE1 4.46Å; Y427-F466 HydrophobicContact CD2-CB 3.83Å; Y427-F466 AromaticContact CD2-CD1 3.99Å; Y427-F466 HydrophobicContact CD2-CD1 3.99Å; Y427-F466 AromaticContact CD2-CD2 3.32Å; Y427-F466 HydrophobicContact CD2-CD2 3.32Å; Y427-F466 HydrophobicContact CD2-CE1 4.36Å; Y427-F466 AromaticContact CD2-CE2 3.78Å; Y427-F466 HydrophobicContact CD2-CE2 3.78Å; Y427-F466 AromaticContact CD2-CG 3.44Å; Y427-F466 HydrophobicContact CD2-CG 3.44Å; Y427-F466 VanDerWaalsContact CD2-CG 3.44Å; Y427-F466 HydrophobicContact CD2-CZ 4.27Å; Y427-F466 HydrophobicContact CE2-CB 3.63Å; Y427-F466 AromaticContact CE2-CD2 3.82Å; Y427-F466 HydrophobicContact CE2-CD2 3.82Å; Y427-F466 AromaticContact CE2-CG 3.8Å; Y427-F466 HydrophobicContact CE2-CG 3.8Å; Y427-F466 HydrophobicContact CG-CD1 4.14Å; Y427-F466 HydrophobicContact CG-CD2 4.21Å; Y427-F466 HydrophobicContact CG-CE1 4.36Å; Y427-F466 HydrophobicContact CG-CE2 4.45Å; Y427-F466 HydrophobicContact CG-CG 4.05Å; F462-F466 HydrophobicContact CD1-CE2 4.31Å; F462-F466 HydrophobicContact CD2-CE2 4.23Å; F462-F466 AromaticContact CE1-CE2 3.95Å; F462-F466 HydrophobicContact CE1-CE2 3.95Å; F462-F466 HydrophobicContact CE1-CZ 4.33Å; F462-F466 AromaticContact CE2-CE2 3.82Å; F462-F466 HydrophobicContact CE2-CE2 3.82Å; F462-F466 HydrophobicContact CE2-CZ 4.13Å; F462-F466 HydrophobicContact CG-CE2 4.44Å; F462-F466 AromaticContact CZ-CE2 3.65Å; F462-F466 HydrophobicContact CZ-CE2 3.65Å; F462-F466 AromaticContact CZ-CZ 3.76Å; F462-F466 HydrophobicContact CZ-CZ 3.76Å; F462-F466 VanDerWaalsContact O-CD2 3.26Å; F462-F466 WeakPolarHBondContact O-CD2 3.15Å; F462-F466 WeakPolarHBondContact O-CE2 3.43Å; H463-F466 PolarHBondContact O-N 3.03Å; H463-F466 VanDerWaalsContact O-O 3.07Å; F466-I511 HydrophobicContact CB-CG2 4.06Å; F466-I511 HydrophobicContact CD1-CG2 3.76Å; F466-I511 HydrophobicContact CG-CG2 4.28Å; F466-R512 CarbonylContact C-O 3.54Å; F466-R512 VanDerWaalsContact CA-O 3.29Å; F466-R512 WeakPolarHBondContact CA-O 2.98Å; F466-L513 HydrophobicContact CD1-CD2 3.94Å; F466-L513 HydrophobicContact CD1-CG 3.82Å; F466-L513 HydrophobicContact CE1-CD1 4.25Å; F466-L513 HydrophobicContact CE1-CD2 3.45Å; F466-L513 VanDerWaalsContact CE1-CD2 3.45Å; F466-L513 HydrophobicContact CE1-CG 3.6Å; F466-L513 HydrophobicContact CE2-CD2 4.49Å; F466-L513 HydrophobicContact CZ-CD2 3.77Å; F466-L513 HydrophobicContact CZ-CG 4.42Å |
| 467 | N | 81.7 | Confident | 80.7 | Confident | 107 Ų | 107 | 57.9 Ų | 57.9 | 57% | 0.572 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.5 | 163.3 | -76.7 | -16.2 | 0 | 0 | 0 | 107.9 | I511 R512 | N467-I511 CarbonylContact O-C 3.59Å; N467-I511 VanDerWaalsContact O-CA 3.31Å; N467-I511 WeakPolarHBondContact O-CA 3.38Å; N467-R512 PolarHBondContact N-O 3.35Å; N467-R512 PolarHBondContact O-N 3.43Å |
| 468 | D | 81.6 | Confident | 80.8 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114.8 | -179.4 | 178.2 | 13.9 | 0 | 0 | 0 | 109.3 | Y427 R431 N470 W475 I511 | Y427-D468 HydrophobicContact CE1-CB 3.97Å; Y427-D468 WeakPolarHBondContact CE1-OD2 3.28Å; Y427-D468 WeakPolarHBondContact OH-CB 3.49Å; Y427-D468 VanDerWaalsContact OH-CG 3.23Å; Y427-D468 PolarHBondContact OH-OD2 2.82Å; R431-D468 IonicContact NE-OD2 2.97Å; R431-D468 PolarHBondContact NE-OD2 2.76Å; D468-N470 PolarHBondContact O-N 2.73Å; D468-N470 WeakPolarHBondContact OD1-CB 3.43Å; D468-N470 PolarHBondContact OD1-N 2.89Å; D468-N470 PolarHBondContact OD1-ND2 3.29Å; D468-W475 PolarHBondContact OD2-NE1 3.4Å; D468-I511 HydrophobicContact CB-CG1 4.37Å |
| 469 | E | 74 | Confident | 80.6 | Confident | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | trans | -80.1 | -8.1 | -179 | -64.2 | 179.1 | -175.9 | 0 | 0 | 112.4 | T510 | E469-T510 PolarHBondContact N-O 3.02Å; E469-T510 VanDerWaalsContact N-O 3.08Å | ||
| 470 | N | 73.6 | Confident | 80.3 | Confident | 22 Ų | 22 | 61 Ų | 61 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -77.8 | 135.1 | -177 | -60.5 | -72.2 | 0 | 0 | 0 | 112.2 | D468 I474 W475 T510 | D468-N470 PolarHBondContact O-N 2.73Å; D468-N470 WeakPolarHBondContact OD1-CB 3.43Å; D468-N470 PolarHBondContact OD1-N 2.89Å; D468-N470 PolarHBondContact OD1-ND2 3.29Å; N470-I474 HydrophobicContact CB-CD1 4.14Å; N470-W475 HydrophobicContact CB-CZ2 4.4Å; N470-T510 WeakPolarHBondContact ND2-CB 3.45Å; N470-T510 PolarHBondContact ND2-OG1 2.78Å |
| 471 | S | 71.6 | Confident | 80.1 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | trans | -63.2 | 150.2 | 173.6 | 94.3 | 0 | 0 | 0 | 0 | 111.6 | E473 I474 | S471-E473 PolarHBondContact O-N 2.95Å; S471-E473 VanDerWaalsContact O-N 3.15Å; S471-E473 PolarHBondContact OG-N 3.42Å; S471-E473 PolarHBondContact OG-OE2 3.48Å; S471-I474 WeakPolarHBondContact O-CB 3.47Å; S471-I474 PolarHBondContact O-N 3.38Å; S471-I474 VanDerWaalsContact O-N 3.16Å | ||
| 472 | P | 74.1 | Confident | 79.9 | Confident | 93 Ų | 93 | 54 Ų | 54 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.7 | -28.6 | 174.7 | -24.7 | 33.7 | 0 | 0 | 0 | 114 | I474 W475 S476 | P472-I474 VanDerWaalsContact C-N 3.35Å; P472-I474 PolarHBondContact O-N 2.89Å; P472-W475 PolarHBondContact O-N 2.86Å; P472-S476 PolarHBondContact O-N 3.27Å; P472-S476 VanDerWaalsContact O-N 3.16Å |
| 473 | E | 73.1 | Confident | 79.5 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 65% | 0.654 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.7 | -31.2 | -179.7 | -60 | 125.3 | 167.6 | 0 | 0 | 112.8 | S471 W475 S476 T477 | S471-E473 PolarHBondContact O-N 2.95Å; S471-E473 VanDerWaalsContact O-N 3.15Å; S471-E473 PolarHBondContact OG-N 3.42Å; S471-E473 PolarHBondContact OG-OE2 3.48Å; E473-W475 VanDerWaalsContact C-N 3.31Å; E473-W475 PolarHBondContact O-N 2.73Å; E473-S476 PolarHBondContact O-N 3.47Å; E473-T477 PolarHBondContact O-N 3.05Å; E473-T477 PolarHBondContact O-OG1 2.83Å |
| 474 | I | 78.9 | Confident | 79.1 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.8 | -64.5 | 174.9 | 0 | 0 | 0 | 109.5 | N470 S471 P472 T477 R478 | N470-I474 HydrophobicContact CB-CD1 4.14Å; S471-I474 WeakPolarHBondContact O-CB 3.47Å; S471-I474 PolarHBondContact O-N 3.38Å; S471-I474 VanDerWaalsContact O-N 3.16Å; P472-I474 VanDerWaalsContact C-N 3.35Å; P472-I474 PolarHBondContact O-N 2.89Å; I474-T477 PolarHBondContact O-N 3.48Å; I474-R478 HydrophobicContact CG2-CG 4.48Å; I474-R478 WeakPolarHBondContact O-CG 3.42Å; I474-R478 PolarHBondContact O-N 2.88Å |
| 475 | W | 81.9 | Confident | 78.8 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -41 | 178.4 | -65.6 | 115.9 | 0 | 0 | 0 | 112.1 | Y427 T428 R431 L432 D468 N470 P472 E473 T477 R478 T479 I511 | Y427-W475 HydrophobicContact CE1-CZ2 4.23Å; T428-W475 HydrophobicContact CG2-CH2 3.85Å; T428-W475 HydrophobicContact CG2-CZ3 3.53Å; R431-W475 HydrophobicContact CB-CD2 3.59Å; R431-W475 HydrophobicContact CB-CE3 3.81Å; R431-W475 HydrophobicContact CB-CG 3.98Å; R431-W475 HydrophobicContact CB-CH2 4.4Å; R431-W475 HydrophobicContact CB-CZ2 4.22Å; R431-W475 HydrophobicContact CB-CZ3 4.22Å; R431-W475 HydrophobicContact CG-CD2 4.29Å; R431-W475 HydrophobicContact CG-CZ2 4.16Å; L432-W475 HydrophobicContact CD2-CE3 4.05Å; L432-W475 HydrophobicContact CG-CE3 4.37Å; D468-W475 PolarHBondContact OD2-NE1 3.4Å; N470-W475 HydrophobicContact CB-CZ2 4.4Å; P472-W475 PolarHBondContact O-N 2.86Å; E473-W475 VanDerWaalsContact C-N 3.31Å; E473-W475 PolarHBondContact O-N 2.73Å; W475-T477 VanDerWaalsContact C-N 3.33Å; W475-T477 PolarHBondContact O-N 3.44Å; W475-R478 VanDerWaalsContact CZ3-NH1 3.27Å; W475-R478 PolarHBondContact O-N 2.92Å; W475-T479 PolarHBondContact O-N 2.92Å; W475-T479 PolarHBondContact O-OG1 3.08Å; W475-I511 HydrophobicContact CH2-CD1 4.18Å; W475-I511 HydrophobicContact CZ2-CD1 4.16Å |
| 476 | S | 76.8 | Confident | 78.7 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 173 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | P472 E473 T479 | P472-S476 PolarHBondContact O-N 3.27Å; P472-S476 VanDerWaalsContact O-N 3.16Å; E473-S476 PolarHBondContact O-N 3.47Å; S476-T479 PolarHBondContact O-N 3.32Å |
| 477 | T | 79 | Confident | 78.6 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | E473 I474 W475 T479 K480 | E473-T477 PolarHBondContact O-N 3.05Å; E473-T477 PolarHBondContact O-OG1 2.83Å; I474-T477 PolarHBondContact O-N 3.48Å; W475-T477 VanDerWaalsContact C-N 3.33Å; W475-T477 PolarHBondContact O-N 3.44Å; T477-T479 VanDerWaalsContact C-N 3.28Å; T477-T479 PolarHBondContact O-N 2.96Å; T477-K480 WeakPolarHBondContact O-CB 3.41Å; T477-K480 PolarHBondContact O-N 3.07Å |
| 478 | R | 84.4 | Confident | 78.8 | Confident | 38 Ų | 38 | 61 Ų | 61 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -34.1 | 176.3 | -73.6 | 177.2 | 176 | 165.3 | 2.4 | 112.5 | L432 I474 W475 K480 I481 W505 | L432-R478 HydrophobicContact CD2-CB 3.6Å; I474-R478 HydrophobicContact CG2-CG 4.48Å; I474-R478 WeakPolarHBondContact O-CG 3.42Å; I474-R478 PolarHBondContact O-N 2.88Å; W475-R478 VanDerWaalsContact CZ3-NH1 3.27Å; W475-R478 PolarHBondContact O-N 2.92Å; R478-K480 PolarHBondContact O-N 3.3Å; R478-I481 VanDerWaalsContact O-CB 3.31Å; R478-I481 WeakPolarHBondContact O-CB 3.09Å; R478-I481 WeakPolarHBondContact O-CG1 3.43Å; R478-I481 PolarHBondContact O-N 3.47Å; R478-I481 VanDerWaalsContact O-N 3.12Å; R478-W505 HydrophobicContact CB-CH2 3.97Å; R478-W505 HydrophobicContact CB-CZ2 3.7Å; R478-W505 HydrophobicContact CG-CH2 4.24Å; R478-W505 HydrophobicContact CG-CZ2 3.62Å |
| 479 | T | 79.6 | Confident | 79.1 | Confident | 11 Ų | 11 | 67 Ų | 67 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -30.4 | 178.5 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | L432 L436 W475 S476 T477 I481 Y482 | L432-T479 PolarHBondContact O-OG1 3.21Å; L436-T479 HydrophobicContact CG-CG2 4.29Å; W475-T479 PolarHBondContact O-N 2.92Å; W475-T479 PolarHBondContact O-OG1 3.08Å; S476-T479 PolarHBondContact O-N 3.32Å; T477-T479 VanDerWaalsContact C-N 3.28Å; T477-T479 PolarHBondContact O-N 2.96Å; T479-I481 PolarHBondContact O-N 2.89Å; T479-I481 VanDerWaalsContact O-N 3.16Å; T479-Y482 PolarHBondContact O-N 3.34Å; T479-Y482 VanDerWaalsContact O-N 3.12Å |
| 480 | K | 78.2 | Confident | 79.7 | Confident | 126 Ų | 126 | 64.8 Ų | 64.8 | 55% | 0.548 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -61.4 | -25.3 | 177.5 | -63.3 | 179 | -178.8 | 174.1 | 0 | 113.5 | T477 R478 Y482 K483 | T477-K480 WeakPolarHBondContact O-CB 3.41Å; T477-K480 PolarHBondContact O-N 3.07Å; R478-K480 PolarHBondContact O-N 3.3Å; K480-Y482 PolarHBondContact O-N 2.83Å; K480-K483 PolarHBondContact O-N 3.01Å |
| 481 | I | 78.7 | Confident | 80.4 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 18% | 0.179 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -68.3 | -27.4 | 179.9 | -60.1 | 177 | 0 | 0 | 0 | 111.3 | R478 T479 F486 L487 I501 W505 | R478-I481 VanDerWaalsContact O-CB 3.31Å; R478-I481 WeakPolarHBondContact O-CB 3.09Å; R478-I481 WeakPolarHBondContact O-CG1 3.43Å; R478-I481 PolarHBondContact O-N 3.47Å; R478-I481 VanDerWaalsContact O-N 3.12Å; T479-I481 PolarHBondContact O-N 2.89Å; T479-I481 VanDerWaalsContact O-N 3.16Å; I481-F486 HydrophobicContact CG2-CE1 4.12Å; I481-F486 WeakPolarHBondContact O-CD1 3.31Å; I481-L487 VanDerWaalsContact O-CD2 3.24Å; I481-L487 WeakPolarHBondContact O-CD2 3.4Å; I481-L487 WeakPolarHBondContact O-CG 3.5Å; I481-I501 HydrophobicContact CD1-CD1 4.38Å; I481-I501 HydrophobicContact CD1-CG2 3.67Å; I481-I501 HydrophobicContact CG2-CD1 3.53Å; I481-I501 HydrophobicContact CG2-CG2 4.31Å; I481-W505 HydrophobicContact CD1-CZ2 4.33Å |
| 482 | Y | 78.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -92.4 | -4.4 | -176.3 | -69.9 | -88.9 | 0 | 0 | 0 | 113.8 | A378 L382 S383 L432 T479 K480 L484 L487 I498 W502 W505 | A378-Y482 HydrophobicContact CB-CE1 4.41Å; L382-Y482 HydrophobicContact CB-CD1 4.04Å; L382-Y482 HydrophobicContact CB-CG 3.74Å; L382-Y482 HydrophobicContact CD1-CD1 3.75Å; L382-Y482 HydrophobicContact CD1-CD2 3.8Å; L382-Y482 HydrophobicContact CD1-CE1 4.32Å; L382-Y482 HydrophobicContact CD1-CE2 4.39Å; L382-Y482 HydrophobicContact CD1-CG 3.51Å; L382-Y482 HydrophobicContact CG-CG 4.29Å; S383-Y482 WeakPolarHBondContact CA-O 3.25Å; L432-Y482 HydrophobicContact CD1-CD2 4.38Å; L432-Y482 HydrophobicContact CD1-CE2 4.2Å; T479-Y482 PolarHBondContact O-N 3.34Å; T479-Y482 VanDerWaalsContact O-N 3.12Å; K480-Y482 PolarHBondContact O-N 2.83Å; Y482-L484 PolarHBondContact O-N 3.42Å; Y482-L487 WeakPolarHBondContact O-CD1 3.25Å; Y482-I498 HydrophobicContact CD1-CD1 4.42Å; Y482-I498 HydrophobicContact CE1-CD1 4.03Å; Y482-I498 HydrophobicContact CE1-CG1 4.16Å; Y482-I498 HydrophobicContact CE1-CG2 3.97Å; Y482-I498 WeakPolarHBondContact OH-CG2 3.49Å; Y482-W502 AromaticContact CE2-NE1 3.97Å; Y482-W502 AromaticContact CZ-CD1 3.98Å; Y482-W502 AromaticContact CZ-NE1 3.39Å; Y482-W502 PolarHBondContact OH-NE1 2.98Å; Y482-W505 AromaticContact CE2-CH2 3.73Å; Y482-W505 HydrophobicContact CE2-CH2 3.73Å; Y482-W505 HydrophobicContact CE2-CZ2 4.3Å |
| 483 | K | 79.4 | Confident | 82 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | trans | -57.3 | 129.9 | 176.1 | -72 | -167.7 | 171.5 | -155.2 | 0 | 109.7 | K480 E485 F486 L487 | K480-K483 PolarHBondContact O-N 3.01Å; K483-E485 PolarHBondContact O-N 2.89Å; K483-F486 HydrophobicContact CB-CB 4.42Å; K483-F486 WeakPolarHBondContact O-CA 3.32Å; K483-F486 WeakPolarHBondContact O-CB 3.4Å; K483-F486 PolarHBondContact O-N 3.44Å; K483-L487 PolarHBondContact O-N 3.41Å | ||
| 484 | L | 79.2 | Confident | 82.8 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.4 | -39.7 | -177.3 | -170.9 | 65.5 | 0 | 0 | 0 | 111.9 | F333 Y482 F486 L487 T488 | F333-L484 HydrophobicContact CD1-CD2 3.95Å; F333-L484 HydrophobicContact CD2-CD1 3.99Å; F333-L484 HydrophobicContact CE1-CD2 3.83Å; F333-L484 HydrophobicContact CE2-CD1 4.14Å; F333-L484 HydrophobicContact CG-CD1 4.26Å; F333-L484 HydrophobicContact CG-CD2 4.37Å; F333-L484 HydrophobicContact CZ-CD2 4.13Å; Y482-L484 PolarHBondContact O-N 3.42Å; L484-F486 PolarHBondContact O-N 2.87Å; L484-L487 PolarHBondContact O-N 3.01Å; L484-T488 HydrophobicContact CD1-CG2 4.03Å; L484-T488 HydrophobicContact CG-CG2 4.05Å; L484-T488 WeakPolarHBondContact O-CB 3.33Å; L484-T488 WeakPolarHBondContact O-CG2 3.1Å; L484-T488 PolarHBondContact O-N 3.17Å; L484-T488 PolarHBondContact O-OG1 3.39Å |
| 485 | E | 79.1 | Confident | 83.2 | Confident | 156 Ų | 156 | 51.5 Ų | 51.5 | 73% | 0.729 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.5 | -30.8 | 175.1 | -63.5 | -178.5 | 172.6 | 0 | 0 | 113.9 | K483 T488 K489 | K483-E485 PolarHBondContact O-N 2.89Å; E485-T488 PolarHBondContact O-OG1 3.31Å; E485-K489 WeakPolarHBondContact O-CE 3.25Å; E485-K489 WeakPolarHBondContact O-CG 3.07Å |
| 486 | F | 82.7 | Confident | 83.5 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 33% | 0.329 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -80.2 | -46.9 | 177.1 | 179.3 | -97.5 | 0 | 0 | 0 | 110.4 | I481 K483 L484 K489 F490 | I481-F486 HydrophobicContact CG2-CE1 4.12Å; I481-F486 WeakPolarHBondContact O-CD1 3.31Å; K483-F486 HydrophobicContact CB-CB 4.42Å; K483-F486 WeakPolarHBondContact O-CA 3.32Å; K483-F486 WeakPolarHBondContact O-CB 3.4Å; K483-F486 PolarHBondContact O-N 3.44Å; L484-F486 PolarHBondContact O-N 2.87Å; F486-K489 WeakPolarHBondContact O-CB 3.26Å; F486-K489 PolarHBondContact O-N 3.4Å; F486-F490 HydrophobicContact CD1-CD2 4.44Å; F486-F490 AromaticContact CD1-CE2 3.81Å; F486-F490 HydrophobicContact CD1-CE2 3.81Å; F486-F490 HydrophobicContact CD2-CE2 4.31Å; F486-F490 HydrophobicContact CE1-CD2 4.26Å; F486-F490 AromaticContact CE1-CE2 3.38Å; F486-F490 HydrophobicContact CE1-CE2 3.38Å; F486-F490 HydrophobicContact CE1-CZ 4.12Å; F486-F490 AromaticContact CE2-CE2 3.91Å; F486-F490 HydrophobicContact CE2-CE2 3.91Å; F486-F490 HydrophobicContact CE2-CZ 4.19Å; F486-F490 HydrophobicContact CG-CE2 4.28Å; F486-F490 AromaticContact CZ-CE2 3.43Å; F486-F490 HydrophobicContact CZ-CE2 3.43Å; F486-F490 VanDerWaalsContact CZ-CE2 3.43Å; F486-F490 AromaticContact CZ-CZ 3.75Å; F486-F490 HydrophobicContact CZ-CZ 3.75Å; F486-F490 VanDerWaalsContact O-CD2 3.32Å; F486-F490 WeakPolarHBondContact O-CD2 3.15Å; F486-F490 WeakPolarHBondContact O-CE2 3.39Å |
| 487 | L | 84.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | -176.9 | -66.5 | 178.9 | 0 | 0 | 0 | 113.1 | F379 I481 Y482 K483 L484 K489 F490 G491 I498 | F379-L487 HydrophobicContact CD2-CD1 3.63Å; F379-L487 HydrophobicContact CE2-CD1 3.68Å; I481-L487 VanDerWaalsContact O-CD2 3.24Å; I481-L487 WeakPolarHBondContact O-CD2 3.4Å; I481-L487 WeakPolarHBondContact O-CG 3.5Å; Y482-L487 WeakPolarHBondContact O-CD1 3.25Å; K483-L487 PolarHBondContact O-N 3.41Å; L484-L487 PolarHBondContact O-N 3.01Å; L487-K489 PolarHBondContact O-N 2.93Å; L487-F490 PolarHBondContact O-N 3.34Å; L487-G491 PolarHBondContact O-N 2.86Å; L487-I498 HydrophobicContact CD1-CD1 3.81Å; L487-I498 HydrophobicContact CD2-CD1 3.64Å; L487-I498 HydrophobicContact CD2-CG1 3.71Å; L487-I498 HydrophobicContact CG-CD1 4.39Å |
| 488 | T | 86.5 | Confident | 84.1 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.1 | 178.8 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | F333 R334 L484 E485 F490 G491 | F333-T488 HydrophobicContact CB-CG2 3.58Å; F333-T488 HydrophobicContact CG-CG2 4.45Å; R334-T488 PolarHBondContact NE-O 2.85Å; L484-T488 HydrophobicContact CD1-CG2 4.03Å; L484-T488 HydrophobicContact CG-CG2 4.05Å; L484-T488 WeakPolarHBondContact O-CB 3.33Å; L484-T488 WeakPolarHBondContact O-CG2 3.1Å; L484-T488 PolarHBondContact O-N 3.17Å; L484-T488 PolarHBondContact O-OG1 3.39Å; E485-T488 PolarHBondContact O-OG1 3.31Å; T488-F490 VanDerWaalsContact C-N 3.31Å; T488-G491 PolarHBondContact O-N 3.32Å |
| 489 | K | 86.5 | Confident | 84.1 | Confident | 162 Ų | 162 | 50.1 Ų | 50.1 | 70% | 0.704 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.6 | 172.4 | -66.1 | 173.7 | -176.2 | 179.8 | 0 | 112.8 | E485 F486 L487 | E485-K489 WeakPolarHBondContact O-CE 3.25Å; E485-K489 WeakPolarHBondContact O-CG 3.07Å; F486-K489 WeakPolarHBondContact O-CB 3.26Å; F486-K489 PolarHBondContact O-N 3.4Å; L487-K489 PolarHBondContact O-N 2.93Å |
| 490 | F | 86.8 | Confident | 84.2 | Confident | 64 Ų | 64 | 54 Ų | 54 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -22 | 178.2 | -62.7 | -73.6 | 0 | 0 | 0 | 113 | F486 L487 T488 Q493 A494 R497 | F486-F490 HydrophobicContact CD1-CD2 4.44Å; F486-F490 AromaticContact CD1-CE2 3.81Å; F486-F490 HydrophobicContact CD1-CE2 3.81Å; F486-F490 HydrophobicContact CD2-CE2 4.31Å; F486-F490 HydrophobicContact CE1-CD2 4.26Å; F486-F490 AromaticContact CE1-CE2 3.38Å; F486-F490 HydrophobicContact CE1-CE2 3.38Å; F486-F490 HydrophobicContact CE1-CZ 4.12Å; F486-F490 AromaticContact CE2-CE2 3.91Å; F486-F490 HydrophobicContact CE2-CE2 3.91Å; F486-F490 HydrophobicContact CE2-CZ 4.19Å; F486-F490 HydrophobicContact CG-CE2 4.28Å; F486-F490 AromaticContact CZ-CE2 3.43Å; F486-F490 HydrophobicContact CZ-CE2 3.43Å; F486-F490 VanDerWaalsContact CZ-CE2 3.43Å; F486-F490 AromaticContact CZ-CZ 3.75Å; F486-F490 HydrophobicContact CZ-CZ 3.75Å; F486-F490 VanDerWaalsContact O-CD2 3.32Å; F486-F490 WeakPolarHBondContact O-CD2 3.15Å; F486-F490 WeakPolarHBondContact O-CE2 3.39Å; L487-F490 PolarHBondContact O-N 3.34Å; T488-F490 VanDerWaalsContact C-N 3.31Å; F490-Q493 HydrophobicContact CB-CB 4.42Å; F490-Q493 WeakPolarHBondContact O-CB 3.45Å; F490-Q493 PolarHBondContact O-N 3.34Å; F490-A494 HydrophobicContact CB-CB 4.33Å; F490-R497 HydrophobicContact CB-CG 4.38Å; F490-R497 HydrophobicContact CD1-CG 3.98Å; F490-R497 HydrophobicContact CG-CG 4.13Å |
| 491 | G | 88.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | 60.3 | -124 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G327 C330 L487 T488 Q493 A494 | G327-G491 WeakPolarHBondContact CA-O 3.31Å; G327-G491 CarbonylContact O-C 3.56Å; C330-G491 WeakPolarHBondContact CB-O 3.4Å; L487-G491 PolarHBondContact O-N 2.86Å; T488-G491 PolarHBondContact O-N 3.32Å; G491-Q493 PolarHBondContact O-N 2.93Å; G491-A494 WeakPolarHBondContact O-CB 3.37Å; G491-A494 PolarHBondContact O-N 3.42Å |
| 492 | P | 90.3 | Very high | 84.5 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.071 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57.4 | -25.6 | 179 | -20.4 | 33.1 | 0 | 0 | 0 | 112.7 | C281 I284 D285 G327 E331 A494 | C281-P492 HydrophobicContact CB-CB 4Å; I284-P492 HydrophobicContact CB-CB 4.05Å; I284-P492 HydrophobicContact CB-CG 4.48Å; I284-P492 HydrophobicContact CD1-CB 4.08Å; I284-P492 HydrophobicContact CG2-CB 3.85Å; I284-P492 HydrophobicContact CG2-CG 3.92Å; D285-P492 VanDerWaalsContact OD1-CG 3.29Å; D285-P492 WeakPolarHBondContact OD1-CG 3.43Å; G327-P492 WeakPolarHBondContact CA-O 3.47Å; E331-P492 HydrophobicContact CB-CG 4.45Å; E331-P492 VanDerWaalsContact OE2-CD 3.26Å; E331-P492 WeakPolarHBondContact OE2-CD 3.48Å; P492-A494 VanDerWaalsContact C-N 3.33Å; P492-A494 PolarHBondContact O-N 2.86Å |
| 493 | Q | 90 | Very high | 84.5 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -81 | -6.8 | 177.9 | -65.6 | -171.8 | 5.4 | 0 | 0 | 114.2 | C281 F490 G491 G495 I496 R497 | C281-Q493 WeakPolarHBondContact SG-CG 3.42Å; F490-Q493 HydrophobicContact CB-CB 4.42Å; F490-Q493 WeakPolarHBondContact O-CB 3.45Å; F490-Q493 PolarHBondContact O-N 3.34Å; G491-Q493 PolarHBondContact O-N 2.93Å; Q493-G495 VanDerWaalsContact C-N 3.34Å; Q493-G495 PolarHBondContact O-N 2.95Å; Q493-I496 PolarHBondContact O-N 2.94Å; Q493-I496 VanDerWaalsContact O-N 3.1Å; Q493-R497 HydrophobicContact CB-CG 4.32Å; Q493-R497 WeakPolarHBondContact O-CG 3.19Å; Q493-R497 PolarHBondContact O-N 3.15Å; Q493-R497 VanDerWaalsContact OE1-NH2 3.1Å |
| 494 | A | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.6 | -45 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113 | I326 C330 F490 G491 P492 I496 R497 I498 | I326-A494 HydrophobicContact CG2-CB 4.02Å; C330-A494 HydrophobicContact CB-CB 3.62Å; C330-A494 WeakPolarHBondContact SG-CB 3.37Å; F490-A494 HydrophobicContact CB-CB 4.33Å; G491-A494 WeakPolarHBondContact O-CB 3.37Å; G491-A494 PolarHBondContact O-N 3.42Å; P492-A494 VanDerWaalsContact C-N 3.33Å; P492-A494 PolarHBondContact O-N 2.86Å; A494-I496 PolarHBondContact O-N 2.95Å; A494-R497 PolarHBondContact O-N 2.79Å; A494-I498 WeakPolarHBondContact O-CG1 3.31Å; A494-I498 PolarHBondContact O-N 3.35Å |
| 495 | G | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L323 Q493 R497 I498 R499 | L323-G495 VanDerWaalsContact CD2-C 3.42Å; L323-G495 WeakPolarHBondContact CD2-O 3.43Å; Q493-G495 VanDerWaalsContact C-N 3.34Å; Q493-G495 PolarHBondContact O-N 2.95Å; G495-R497 VanDerWaalsContact C-N 3.32Å; G495-R497 PolarHBondContact O-N 3.29Å; G495-I498 PolarHBondContact O-N 3.43Å; G495-R499 PolarHBondContact O-N 3.1Å |
| 496 | I | 86.6 | Confident | 83.6 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 179.3 | -59.1 | 169.2 | 0 | 0 | 0 | 110.6 | S277 I280 L323 Q493 A494 K500 | S277-I496 VanDerWaalsContact OG-CD1 3.25Å; S277-I496 WeakPolarHBondContact OG-CD1 3.38Å; I280-I496 HydrophobicContact CD1-CD1 4.4Å; L323-I496 HydrophobicContact CB-CG1 4.4Å; L323-I496 HydrophobicContact CD1-CG1 4.16Å; L323-I496 HydrophobicContact CD2-CG1 4.28Å; Q493-I496 PolarHBondContact O-N 2.94Å; Q493-I496 VanDerWaalsContact O-N 3.1Å; A494-I496 PolarHBondContact O-N 2.95Å; I496-K500 HydrophobicContact CG2-CD 4.34Å; I496-K500 WeakPolarHBondContact O-CB 3.43Å; I496-K500 WeakPolarHBondContact O-CG 3.49Å; I496-K500 PolarHBondContact O-N 3.38Å |
| 497 | R | 85.8 | Confident | 83 | Confident | 112 Ų | 112 | 44.4 Ų | 44.4 | 42% | 0.423 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.5 | -45 | 178.4 | -66.2 | -71.6 | 179.5 | 177.3 | -0.6 | 111.3 | F490 Q493 A494 G495 K500 I501 | F490-R497 HydrophobicContact CB-CG 4.38Å; F490-R497 HydrophobicContact CD1-CG 3.98Å; F490-R497 HydrophobicContact CG-CG 4.13Å; Q493-R497 HydrophobicContact CB-CG 4.32Å; Q493-R497 WeakPolarHBondContact O-CG 3.19Å; Q493-R497 PolarHBondContact O-N 3.15Å; Q493-R497 VanDerWaalsContact OE1-NH2 3.1Å; A494-R497 PolarHBondContact O-N 2.79Å; G495-R497 VanDerWaalsContact C-N 3.32Å; G495-R497 PolarHBondContact O-N 3.29Å; R497-K500 PolarHBondContact O-N 3.16Å; R497-I501 WeakPolarHBondContact O-CB 3.47Å; R497-I501 WeakPolarHBondContact O-CD1 3.48Å; R497-I501 WeakPolarHBondContact O-CG1 3.41Å; R497-I501 PolarHBondContact O-N 2.89Å |
| 498 | I | 84.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 176.9 | -77.5 | 172.2 | 0 | 0 | 0 | 111 | I326 Y375 F379 Y482 L487 A494 G495 I501 W502 | I326-I498 HydrophobicContact CD1-CD1 4.42Å; I326-I498 HydrophobicContact CG2-CD1 3.97Å; Y375-I498 HydrophobicContact CD1-CG2 4.11Å; F379-I498 HydrophobicContact CD2-CD1 4.27Å; Y482-I498 HydrophobicContact CD1-CD1 4.42Å; Y482-I498 HydrophobicContact CE1-CD1 4.03Å; Y482-I498 HydrophobicContact CE1-CG1 4.16Å; Y482-I498 HydrophobicContact CE1-CG2 3.97Å; Y482-I498 WeakPolarHBondContact OH-CG2 3.49Å; L487-I498 HydrophobicContact CD1-CD1 3.81Å; L487-I498 HydrophobicContact CD2-CD1 3.64Å; L487-I498 HydrophobicContact CD2-CG1 3.71Å; L487-I498 HydrophobicContact CG-CD1 4.39Å; A494-I498 WeakPolarHBondContact O-CG1 3.31Å; A494-I498 PolarHBondContact O-N 3.35Å; G495-I498 PolarHBondContact O-N 3.43Å; I498-I501 WeakPolarHBondContact O-CB 3.31Å; I498-I501 PolarHBondContact O-N 3.34Å; I498-I501 VanDerWaalsContact O-N 3.13Å; I498-W502 PolarHBondContact O-N 3.07Å |
| 499 | R | 83.6 | Confident | 81 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 179.9 | -174.3 | 173.2 | -72.3 | -158 | -14 | 111.6 | S319 D322 L323 Y375 G495 I501 W502 E503 | S319-R499 PolarHBondContact O-NH1 3.15Å; S319-R499 PolarHBondContact O-NH2 3.47Å; D322-R499 IonicContact OD1-CZ 3.4Å; D322-R499 IonicContact OD1-NH2 2.7Å; D322-R499 PolarHBondContact OD1-NH2 3.4Å; D322-R499 IonicContact OD2-CZ 3.96Å; D322-R499 IonicContact OD2-NE 2.91Å; D322-R499 PolarHBondContact OD2-NE 2.88Å; D322-R499 IonicContact OD2-NH2 2.74Å; D322-R499 PolarHBondContact OD2-NH2 3.25Å; L323-R499 HydrophobicContact CD2-CB 4.06Å; Y375-R499 HydrophobicContact CE2-CG 4.19Å; G495-R499 PolarHBondContact O-N 3.1Å; R499-I501 PolarHBondContact O-N 3.48Å; R499-W502 PolarHBondContact O-N 2.84Å; R499-W502 VanDerWaalsContact O-N 3.14Å; R499-E503 HydrophobicContact CG-CG 4.44Å; R499-E503 WeakPolarHBondContact O-CG 3.41Å; R499-E503 PolarHBondContact O-N 2.69Å |
| 500 | K | 82.6 | Confident | 80 | Confident | 93 Ų | 93 | 39.9 Ų | 39.9 | 40% | 0.404 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.3 | -31.8 | 175.2 | -76 | -176.5 | 178.3 | -177 | 0 | 113.3 | I496 R497 R504 | I496-K500 HydrophobicContact CG2-CD 4.34Å; I496-K500 WeakPolarHBondContact O-CB 3.43Å; I496-K500 WeakPolarHBondContact O-CG 3.49Å; I496-K500 PolarHBondContact O-N 3.38Å; R497-K500 PolarHBondContact O-N 3.16Å; K500-R504 WeakPolarHBondContact O-CD 3.16Å; K500-R504 VanDerWaalsContact O-CG 3.26Å; K500-R504 WeakPolarHBondContact O-CG 3.5Å |
| 501 | I | 81.7 | Confident | 79.2 | Confident | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.185 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.9 | -44.8 | 177.2 | -71.8 | 166.1 | 0 | 0 | 0 | 110.7 | I481 R497 I498 R499 R504 W505 | I481-I501 HydrophobicContact CD1-CD1 4.38Å; I481-I501 HydrophobicContact CD1-CG2 3.67Å; I481-I501 HydrophobicContact CG2-CD1 3.53Å; I481-I501 HydrophobicContact CG2-CG2 4.31Å; R497-I501 WeakPolarHBondContact O-CB 3.47Å; R497-I501 WeakPolarHBondContact O-CD1 3.48Å; R497-I501 WeakPolarHBondContact O-CG1 3.41Å; R497-I501 PolarHBondContact O-N 2.89Å; I498-I501 WeakPolarHBondContact O-CB 3.31Å; I498-I501 PolarHBondContact O-N 3.34Å; I498-I501 VanDerWaalsContact O-N 3.13Å; R499-I501 PolarHBondContact O-N 3.48Å; I501-R504 WeakPolarHBondContact O-CB 3.37Å; I501-R504 PolarHBondContact O-N 2.73Å; I501-W505 HydrophobicContact CG2-CZ2 3.83Å; I501-W505 PolarHBondContact O-N 3.24Å; I501-W505 PolarHBondContact O-NE1 2.96Å |
| 502 | W | 81.5 | Confident | 78.6 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.2 | -93.7 | 36.7 | 0 | 0 | 0 | 113.1 | V374 Y375 A378 K425 I429 Y482 I498 R499 R504 W505 | V374-W502 HydrophobicContact CG1-CH2 3.96Å; V374-W502 HydrophobicContact CG1-CZ3 3.84Å; Y375-W502 AromaticContact CD1-CD2 3.91Å; Y375-W502 HydrophobicContact CD1-CD2 3.91Å; Y375-W502 AromaticContact CD1-CE3 3.65Å; Y375-W502 HydrophobicContact CD1-CE3 3.65Å; Y375-W502 HydrophobicContact CD1-CG 4.37Å; Y375-W502 AromaticContact CD1-CZ3 3.97Å; Y375-W502 HydrophobicContact CD1-CZ3 3.97Å; Y375-W502 HydrophobicContact CE1-CB 3.62Å; Y375-W502 AromaticContact CE1-CD2 3.41Å; Y375-W502 HydrophobicContact CE1-CD2 3.41Å; Y375-W502 VanDerWaalsContact CE1-CD2 3.41Å; Y375-W502 AromaticContact CE1-CE3 3.09Å; Y375-W502 HydrophobicContact CE1-CE3 3.09Å; Y375-W502 AromaticContact CE1-CG 3.65Å; Y375-W502 HydrophobicContact CE1-CG 3.65Å; Y375-W502 AromaticContact CE1-CZ3 3.82Å; Y375-W502 HydrophobicContact CE1-CZ3 3.82Å; Y375-W502 AromaticContact CZ-CE3 3.76Å; A378-W502 HydrophobicContact CB-CH2 3.76Å; A378-W502 HydrophobicContact CB-CZ2 3.49Å; A378-W502 VanDerWaalsContact CB-CZ2 3.49Å; K425-W502 HydrophobicContact CB-CE3 4.48Å; K425-W502 HydrophobicContact CB-CH2 4.4Å; K425-W502 HydrophobicContact CB-CZ3 3.74Å; K425-W502 HydrophobicContact CD-CE3 4.3Å; K425-W502 HydrophobicContact CD-CZ3 4.13Å; K425-W502 HydrophobicContact CG-CE3 4.07Å; K425-W502 HydrophobicContact CG-CZ3 3.81Å; I429-W502 HydrophobicContact CD1-CH2 3.82Å; I429-W502 HydrophobicContact CD1-CZ2 4.5Å; I429-W502 HydrophobicContact CG1-CH2 3.54Å; I429-W502 HydrophobicContact CG1-CZ2 3.83Å; Y482-W502 AromaticContact CE2-NE1 3.97Å; Y482-W502 AromaticContact CZ-CD1 3.98Å; Y482-W502 AromaticContact CZ-NE1 3.39Å; Y482-W502 PolarHBondContact OH-NE1 2.98Å; I498-W502 PolarHBondContact O-N 3.07Å; R499-W502 PolarHBondContact O-N 2.84Å; R499-W502 VanDerWaalsContact O-N 3.14Å; W502-R504 PolarHBondContact O-N 3.23Å; W502-R504 VanDerWaalsContact O-N 3.17Å; W502-W505 AromaticContact CD1-CE3 3.56Å; W502-W505 AromaticContact CD1-CH2 3.55Å; W502-W505 AromaticContact CD1-CZ3 3.28Å; W502-W505 HydrophobicContact CD2-CE3 4.45Å; W502-W505 HydrophobicContact CD2-CZ3 4.32Å; W502-W505 AromaticContact CE2-CZ3 3.74Å; W502-W505 HydrophobicContact CG-CE3 4.04Å; W502-W505 HydrophobicContact CG-CZ3 4.1Å; W502-W505 HydrophobicContact CZ2-CZ3 4.49Å; W502-W505 AromaticContact NE1-CE3 3.69Å; W502-W505 AromaticContact NE1-CH2 3.31Å; W502-W505 VanDerWaalsContact NE1-CH2 3.31Å; W502-W505 AromaticContact NE1-CZ3 2.98Å; W502-W505 WeakPolarHBondContact O-CB 3.36Å; W502-W505 PolarHBondContact O-N 3.38Å |
| 503 | E | 78.3 | Confident | 78 | Confident | 106 Ų | 106 | 43.7 Ų | 43.7 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.4 | -26.5 | 175.1 | -74 | 170.7 | 173.2 | 0 | 0 | 112.4 | R499 W505 | R499-E503 HydrophobicContact CG-CG 4.44Å; R499-E503 WeakPolarHBondContact O-CG 3.41Å; R499-E503 PolarHBondContact O-N 2.69Å; E503-W505 VanDerWaalsContact C-N 3.35Å |
| 504 | R | 77.6 | Confident | 77.1 | Confident | 159 Ų | 159 | 43 Ų | 43 | 60% | 0.6 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -13.7 | 174.7 | -67.3 | 168.4 | -178.1 | -167.1 | -2.5 | 113.2 | K500 I501 W502 N506 | K500-R504 WeakPolarHBondContact O-CD 3.16Å; K500-R504 VanDerWaalsContact O-CG 3.26Å; K500-R504 WeakPolarHBondContact O-CG 3.5Å; I501-R504 WeakPolarHBondContact O-CB 3.37Å; I501-R504 PolarHBondContact O-N 2.73Å; W502-R504 PolarHBondContact O-N 3.23Å; W502-R504 VanDerWaalsContact O-N 3.17Å; R504-N506 PolarHBondContact O-N 3.35Å |
| 505 | W | 76.4 | Confident | 75.3 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -80 | 107.3 | 174.9 | -61.1 | -5.9 | 0 | 0 | 0 | 107.7 | T428 L432 R478 I481 Y482 I501 W502 E503 L507 | T428-W505 HydrophobicContact CG2-CE3 3.39Å; T428-W505 HydrophobicContact CG2-CZ3 3.29Å; L432-W505 HydrophobicContact CD1-CH2 3.78Å; L432-W505 HydrophobicContact CD1-CZ3 3.84Å; L432-W505 HydrophobicContact CD2-CH2 4.25Å; R478-W505 HydrophobicContact CB-CH2 3.97Å; R478-W505 HydrophobicContact CB-CZ2 3.7Å; R478-W505 HydrophobicContact CG-CH2 4.24Å; R478-W505 HydrophobicContact CG-CZ2 3.62Å; I481-W505 HydrophobicContact CD1-CZ2 4.33Å; Y482-W505 AromaticContact CE2-CH2 3.73Å; Y482-W505 HydrophobicContact CE2-CH2 3.73Å; Y482-W505 HydrophobicContact CE2-CZ2 4.3Å; I501-W505 HydrophobicContact CG2-CZ2 3.83Å; I501-W505 PolarHBondContact O-N 3.24Å; I501-W505 PolarHBondContact O-NE1 2.96Å; W502-W505 AromaticContact CD1-CE3 3.56Å; W502-W505 AromaticContact CD1-CH2 3.55Å; W502-W505 AromaticContact CD1-CZ3 3.28Å; W502-W505 HydrophobicContact CD2-CE3 4.45Å; W502-W505 HydrophobicContact CD2-CZ3 4.32Å; W502-W505 AromaticContact CE2-CZ3 3.74Å; W502-W505 HydrophobicContact CG-CE3 4.04Å; W502-W505 HydrophobicContact CG-CZ3 4.1Å; W502-W505 HydrophobicContact CZ2-CZ3 4.49Å; W502-W505 AromaticContact NE1-CE3 3.69Å; W502-W505 AromaticContact NE1-CH2 3.31Å; W502-W505 VanDerWaalsContact NE1-CH2 3.31Å; W502-W505 AromaticContact NE1-CZ3 2.98Å; W502-W505 WeakPolarHBondContact O-CB 3.36Å; W502-W505 PolarHBondContact O-N 3.38Å; E503-W505 VanDerWaalsContact C-N 3.35Å; W505-L507 HydrophobicContact CB-CD2 3.99Å; W505-L507 HydrophobicContact CB-CG 4.33Å; W505-L507 WeakPolarHBondContact O-CG 3.47Å; W505-L507 PolarHBondContact O-N 2.96Å |
| 506 | N | 65.2 | Low | 73.2 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | trans | -74.4 | 75.2 | 179 | -169 | -3 | 0 | 0 | 0 | 110.9 | R504 S509 T510 G948 C953 G954 | R504-N506 PolarHBondContact O-N 3.35Å; N506-S509 PolarHBondContact ND2-OG 3.37Å; N506-S509 PolarHBondContact O-OG 3.24Å; N506-S509 PolarHBondContact OD1-OG 2.98Å; N506-T510 PolarHBondContact O-N 3.35Å; N506-T510 PolarHBondContact O-OG1 2.94Å; N506-G948 WeakPolarHBondContact ND2-CA 3.4Å; N506-C953 HydrophobicContact CB-CB 3.97Å; N506-C953 PolarHBondContact ND2-O 3.22Å; N506-G954 WeakPolarHBondContact ND2-CA 3.49Å | ||
| 507 | L | 69.3 | Low | 70.7 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | -172.5 | -61.2 | 178.8 | 0 | 0 | 0 | 111.6 | L424 K425 T428 W505 S509 T510 I511 | L424-L507 HydrophobicContact CB-CB 4.36Å; K425-L507 HydrophobicContact CG-CD1 3.84Å; T428-L507 HydrophobicContact CG2-CD2 4.08Å; T428-L507 WeakPolarHBondContact OG1-CD2 3.44Å; W505-L507 HydrophobicContact CB-CD2 3.99Å; W505-L507 HydrophobicContact CB-CG 4.33Å; W505-L507 WeakPolarHBondContact O-CG 3.47Å; W505-L507 PolarHBondContact O-N 2.96Å; L507-S509 VanDerWaalsContact C-N 3.34Å; L507-S509 PolarHBondContact O-N 2.82Å; L507-T510 PolarHBondContact O-N 2.97Å; L507-I511 HydrophobicContact CB-CD1 4.46Å; L507-I511 HydrophobicContact CD2-CD1 3.89Å; L507-I511 WeakPolarHBondContact O-CB 3.47Å; L507-I511 PolarHBondContact O-N 3.49Å |
| 508 | T | 65.1 | Low | 68 | Low | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.5 | -27.8 | -172.1 | -25.5 | 0 | 0 | 0 | 0 | 113.4 | L424 | L424-T508 HydrophobicContact CD1-CG2 4.09Å |
| 509 | S | 63.4 | Low | 65.3 | Low | 15 Ų | 15 | 59.4 Ų | 59.4 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -85.2 | -28.9 | 177.2 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | N506 L507 | N506-S509 PolarHBondContact ND2-OG 3.37Å; N506-S509 PolarHBondContact O-OG 3.24Å; N506-S509 PolarHBondContact OD1-OG 2.98Å; L507-S509 VanDerWaalsContact C-N 3.34Å; L507-S509 PolarHBondContact O-N 2.82Å |
| 510 | T | 64.7 | Low | 62.7 | Low | 23 Ų | 23 | 64.5 Ų | 64.5 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -99.8 | -17.8 | -173 | 56 | 0 | 0 | 0 | 0 | 114.1 | E469 N470 N506 L507 | E469-T510 PolarHBondContact N-O 3.02Å; E469-T510 VanDerWaalsContact N-O 3.08Å; N470-T510 WeakPolarHBondContact ND2-CB 3.45Å; N470-T510 PolarHBondContact ND2-OG1 2.78Å; N506-T510 PolarHBondContact O-N 3.35Å; N506-T510 PolarHBondContact O-OG1 2.94Å; L507-T510 PolarHBondContact O-N 2.97Å |
| 511 | I | 70.8 | Confident | 60.3 | Low | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 114.4 | -177.9 | -58.5 | 152.2 | 0 | 0 | 0 | 108.7 | L424 Y427 F466 N467 D468 W475 L507 | L424-I511 HydrophobicContact CD2-CB 3.92Å; L424-I511 HydrophobicContact CD2-CG2 3.63Å; L424-I511 WeakPolarHBondContact CD2-O 3.34Å; Y427-I511 HydrophobicContact CD1-CB 4.46Å; Y427-I511 HydrophobicContact CD1-CD1 3.59Å; Y427-I511 HydrophobicContact CD1-CG1 4Å; Y427-I511 HydrophobicContact CD1-CG2 3.66Å; Y427-I511 HydrophobicContact CE1-CB 4.49Å; Y427-I511 HydrophobicContact CE1-CD1 3.75Å; Y427-I511 HydrophobicContact CE1-CG1 3.79Å; Y427-I511 HydrophobicContact CE1-CG2 3.82Å; Y427-I511 HydrophobicContact CG-CG2 4.14Å; F466-I511 HydrophobicContact CB-CG2 4.06Å; F466-I511 HydrophobicContact CD1-CG2 3.76Å; F466-I511 HydrophobicContact CG-CG2 4.28Å; N467-I511 CarbonylContact O-C 3.59Å; N467-I511 VanDerWaalsContact O-CA 3.31Å; N467-I511 WeakPolarHBondContact O-CA 3.38Å; D468-I511 HydrophobicContact CB-CG1 4.37Å; W475-I511 HydrophobicContact CH2-CD1 4.18Å; W475-I511 HydrophobicContact CZ2-CD1 4.16Å; L507-I511 HydrophobicContact CB-CD1 4.46Å; L507-I511 HydrophobicContact CD2-CD1 3.89Å; L507-I511 WeakPolarHBondContact O-CB 3.47Å; L507-I511 PolarHBondContact O-N 3.49Å |
| 512 | R | 76.6 | Confident | 57.9 | Low | 119 Ų | 119 | 71.4 Ų | 71.4 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.5 | 176.7 | -63 | -170.1 | -174.1 | -175.3 | 6.5 | 110.6 | F466 N467 D970 | F466-R512 CarbonylContact C-O 3.54Å; F466-R512 VanDerWaalsContact CA-O 3.29Å; F466-R512 WeakPolarHBondContact CA-O 2.98Å; N467-R512 PolarHBondContact N-O 3.35Å; N467-R512 PolarHBondContact O-N 3.43Å; R512-D970 IonicContact CZ-OD2 2.72Å; R512-D970 IonicContact NH1-OD2 3.28Å; R512-D970 IonicContact NH2-OD2 3.62Å; R512-D970 PolarHBondContact NH2-OD2 3.08Å |
| 513 | L | 76.9 | Confident | 55.6 | Low | 32 Ų | 32 | 75.4 Ų | 75.4 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132 | 173.6 | -86 | 138.5 | 0 | 0 | 0 | 110.7 | Y410 K420 L423 F466 S515 | Y410-L513 HydrophobicContact CD1-CD1 4.23Å; Y410-L513 HydrophobicContact CD1-CD2 4.13Å; Y410-L513 HydrophobicContact CD2-CD1 4.47Å; Y410-L513 HydrophobicContact CE1-CB 4.12Å; Y410-L513 HydrophobicContact CE1-CD1 3.74Å; Y410-L513 HydrophobicContact CE1-CD2 4.02Å; Y410-L513 HydrophobicContact CE1-CG 4.15Å; Y410-L513 HydrophobicContact CE2-CD1 4.02Å; K420-L513 HydrophobicContact CG-CD1 4.22Å; L423-L513 HydrophobicContact CD2-CD1 3.95Å; L423-L513 HydrophobicContact CD2-CD2 3.6Å; L423-L513 HydrophobicContact CD2-CG 4.38Å; L423-L513 HydrophobicContact CG-CD2 4.45Å; F466-L513 HydrophobicContact CD1-CD2 3.94Å; F466-L513 HydrophobicContact CD1-CG 3.82Å; F466-L513 HydrophobicContact CE1-CD1 4.25Å; F466-L513 HydrophobicContact CE1-CD2 3.45Å; F466-L513 VanDerWaalsContact CE1-CD2 3.45Å; F466-L513 HydrophobicContact CE1-CG 3.6Å; F466-L513 HydrophobicContact CE2-CD2 4.49Å; F466-L513 HydrophobicContact CZ-CD2 3.77Å; F466-L513 HydrophobicContact CZ-CG 4.42Å; L513-S515 PolarHBondContact O-N 3.41Å |
| 514 | V | 70.4 | Confident | 53.7 | Low | 55 Ų | 55 | 74.1 Ų | 74.1 | 33% | 0.333 | 39% | 0.391 | S | S | . | . | trans | -75.5 | 109.7 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 106.8 | Q465 I516 | Q465-V514 WeakPolarHBondContact O-CB 3.15Å; Q465-V514 PolarHBondContact O-N 3.26Å; V514-I516 PolarHBondContact O-N 3.32Å | ||
| 515 | S | 52.9 | Low | 52.2 | Low | 81 Ų | 81 | 75.2 Ų | 75.2 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | trans | -57.7 | 117.1 | -172.8 | 123.1 | 0 | 0 | 0 | 0 | 112.1 | L513 H517 | L513-S515 PolarHBondContact O-N 3.41Å; S515-H517 PolarHBondContact OG-O 3.01Å | ||
| 516 | I | 44.4 | Very low | 51.1 | Low | 81 Ų | 81 | 78.4 Ų | 78.4 | 42% | 0.415 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -88.4 | -9.7 | -178.5 | -58 | 174.4 | 0 | 0 | 0 | 113.1 | L407 V411 Q465 V514 | L407-I516 HydrophobicContact CD2-CD1 4.46Å; V411-I516 HydrophobicContact CG2-CB 4.08Å; V411-I516 HydrophobicContact CG2-CD1 4.05Å; V411-I516 HydrophobicContact CG2-CG2 4.34Å; Q465-I516 HydrophobicContact CG-CD1 4.5Å; V514-I516 PolarHBondContact O-N 3.32Å |
| 517 | H | 34.4 | Very low | 51.1 | Low | 113 Ų | 113 | 78.3 Ų | 78.3 | 52% | 0.523 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -124 | 151.3 | 169.7 | -86.5 | 10.8 | 0 | 0 | 0 | 109.6 | S515 T519 | S515-H517 PolarHBondContact OG-O 3.01Å; H517-T519 PolarHBondContact O-N 3.48Å; H517-T519 PolarHBondContact O-OG1 3.31Å |
| 518 | P | 28.9 | Very low | 50.6 | Low | 126 Ų | 126 | 82.3 Ų | 82.3 | 82% | 0.818 | 46% | 0.456 | S | S | * | . | trans | -67 | 69.6 | 158.3 | 32.7 | -31.1 | 0 | 0 | 0 | 106.3 | T520 | P518-T520 PolarHBondContact O-N 3.12Å; P518-T520 VanDerWaalsContact O-N 3.15Å | ||
| 519 | T | 25.9 | Very low | 50.7 | Low | 72 Ų | 72 | 81 Ų | 81 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | trans | -46 | 126.6 | 148.8 | 34.9 | 0 | 0 | 0 | 0 | 103.4 | P414 H517 L521 | P414-T519 HydrophobicContact CG-CG2 4.32Å; H517-T519 PolarHBondContact O-N 3.48Å; H517-T519 PolarHBondContact O-OG1 3.31Å; T519-L521 PolarHBondContact O-N 2.9Å | ||
| 520 | T | 30.5 | Very low | 51.4 | Low | 132 Ų | 132 | 84.3 Ų | 84.3 | 81% | 0.81 | 47% | 0.465 | S | S | * | . | trans | -32 | 102.4 | 170.7 | 42 | 0 | 0 | 0 | 0 | 106.8 | P518 K522 | P518-T520 PolarHBondContact O-N 3.12Å; P518-T520 VanDerWaalsContact O-N 3.15Å; T520-K522 PolarHBondContact O-N 2.91Å | ||
| 521 | L | 31.3 | Very low | 52 | Low | 130 Ų | 130 | 87.5 Ų | 87.5 | 68% | 0.681 | 48% | 0.477 | S | S | * | . | trans | -44.3 | 97.8 | 141.4 | -85.3 | 141 | 0 | 0 | 0 | 100.7 | T519 T523 | T519-L521 PolarHBondContact O-N 2.9Å; L521-T523 HydrophobicContact CB-CG2 3.79Å; L521-T523 PolarHBondContact O-N 3.22Å | ||
| 522 | K | 30.9 | Very low | 52.8 | Low | 145 Ų | 145 | 87.4 Ų | 87.4 | 63% | 0.63 | 48% | 0.476 | S | S | * | . | -44.5 | 95.4 | 119.6 | -91.8 | -168.6 | 175.4 | -174.4 | 0 | 100 | T520 N524 D981 | T520-K522 PolarHBondContact O-N 2.91Å; K522-N524 PolarHBondContact O-N 3.24Å; K522-D981 IonicContact NZ-OD1 2.79Å; K522-D981 PolarHBondContact NZ-OD1 2.79Å | |||
| 523 | T | 33.1 | Very low | 53.5 | Low | 89 Ų | 89 | 81.7 Ų | 81.7 | 55% | 0.546 | 46% | 0.455 | S | S | . | . | trans | -61.7 | 87.9 | 175.2 | 47.3 | 0 | 0 | 0 | 0 | 100.4 | L521 R525 | L521-T523 HydrophobicContact CB-CG2 3.79Å; L521-T523 PolarHBondContact O-N 3.22Å; T523-R525 PolarHBondContact O-N 2.91Å | ||
| 524 | N | 38.9 | Very low | 54 | Low | 79 Ų | 79 | 83.3 Ų | 83.3 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | trans | -59.7 | 91.2 | 154.8 | -83.4 | 7.6 | 0 | 0 | 0 | 99.9 | K522 S526 D975 | K522-N524 PolarHBondContact O-N 3.24Å; N524-S526 PolarHBondContact O-N 2.81Å; N524-D975 HydrophobicContact CB-CB 4.08Å | ||
| 525 | R | 45.4 | Very low | 54.8 | Low | 183 Ų | 183 | 82.6 Ų | 82.6 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | trans | -64.3 | 97 | 177.9 | -74.6 | 177.9 | 177.8 | 179.2 | -1.3 | 101.2 | T523 V527 Y976 | T523-R525 PolarHBondContact O-N 2.91Å; R525-V527 PolarHBondContact O-N 2.78Å; R525-Y976 HydrophobicContact CB-CD2 4.29Å | ||
| 526 | S | 54.8 | Low | 56.3 | Low | 89 Ų | 89 | 80.8 Ų | 80.8 | 62% | 0.622 | 44% | 0.443 | S | S | * | . | B | Isolated β-bridge | trans | -43.2 | 120.8 | 172.5 | 72.4 | 0 | 0 | 0 | 0 | 105.2 | N524 A528 | N524-S526 PolarHBondContact O-N 2.81Å; S526-A528 PolarHBondContact O-N 3.17Å |
| 527 | V | 65.1 | Low | 57.9 | Low | 8 Ų | 8 | 78.7 Ų | 78.7 | 5% | 0.048 | 44% | 0.441 | C | S | . | . | trans | -72.9 | 106.6 | -166 | -164.2 | 0 | 0 | 0 | 0 | 107.5 | R525 G529 Y530 I967 A974 Y976 | R525-V527 PolarHBondContact O-N 2.78Å; V527-G529 PolarHBondContact O-N 2.91Å; V527-Y530 HydrophobicContact CB-CD2 3.76Å; V527-Y530 HydrophobicContact CG1-CD2 3.3Å; V527-Y530 HydrophobicContact CG1-CE2 3.66Å; V527-Y530 HydrophobicContact CG1-CG 4.48Å; V527-Y530 PolarHBondContact O-N 2.74Å; V527-I967 HydrophobicContact CB-CD1 4.49Å; V527-I967 HydrophobicContact CG1-CD1 4.29Å; V527-I967 HydrophobicContact CG2-CD1 4.29Å; V527-I967 HydrophobicContact CG2-CG1 4.41Å; V527-I967 HydrophobicContact CG2-CG2 4.18Å; V527-A974 PolarHBondContact N-O 3.03Å; V527-Y976 HydrophobicContact CB-CD2 4.5Å; V527-Y976 HydrophobicContact CB-CE2 4.12Å; V527-Y976 HydrophobicContact CG1-CD2 4.41Å; V527-Y976 HydrophobicContact CG1-CE1 3.83Å; V527-Y976 HydrophobicContact CG1-CE2 3.6Å; V527-Y976 VanDerWaalsContact CG1-OH 3.28Å; V527-Y976 WeakPolarHBondContact CG1-OH 3.33Å; V527-Y976 HydrophobicContact CG2-CD1 3.83Å; V527-Y976 HydrophobicContact CG2-CD2 3.55Å; V527-Y976 HydrophobicContact CG2-CE1 3.86Å; V527-Y976 HydrophobicContact CG2-CE2 3.61Å; V527-Y976 HydrophobicContact CG2-CG 3.68Å | ||
| 528 | A | 58.2 | Low | 60.4 | Low | 97 Ų | 97 | 76.2 Ų | 76.2 | 80% | 0.802 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 115.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S526 | S526-A528 PolarHBondContact O-N 3.17Š|
| 529 | G | 68.5 | Low | 63.4 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 6.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V527 H639 | V527-G529 PolarHBondContact O-N 2.91Å; G529-H639 PolarHBondContact O-CE1 2.92Å; G529-H639 PolarHBondContact O-ND1 3.44Å; G529-H639 PolarHBondContact O-NE2 3.48Å |
| 530 | Y | 77.5 | Confident | 66.6 | Low | 84 Ų | 84 | 67.3 Ų | 67.3 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | trans | -121.8 | 140.6 | 165.2 | -58.1 | -83.2 | 0 | 0 | 0 | 109.8 | V527 V962 I967 | V527-Y530 HydrophobicContact CB-CD2 3.76Å; V527-Y530 HydrophobicContact CG1-CD2 3.3Å; V527-Y530 HydrophobicContact CG1-CE2 3.66Å; V527-Y530 HydrophobicContact CG1-CG 4.48Å; V527-Y530 PolarHBondContact O-N 2.74Å; Y530-V962 HydrophobicContact CE1-CG1 3.7Å; Y530-V962 HydrophobicContact CE1-CG2 4.49Å; Y530-V962 VanDerWaalsContact OH-CG1 3.27Å; Y530-V962 WeakPolarHBondContact OH-CG1 3.07Å; Y530-I967 HydrophobicContact CD1-CD1 4.34Å; Y530-I967 HydrophobicContact CD2-CD1 3.68Å; Y530-I967 HydrophobicContact CE2-CD1 3.84Å; Y530-I967 HydrophobicContact CG-CD1 3.93Å | ||
| 531 | K | 77 | Confident | 69.7 | Low | 90 Ų | 90 | 61.3 Ų | 61.3 | 39% | 0.391 | 34% | 0.337 | S | S | . | . | trans | -129.8 | 130.8 | -170.8 | -72.8 | -58.2 | -177.5 | -169.6 | 0 | 109.8 | Q547 L636 H639 | K531-Q547 PolarHBondContact O-NE2 3.39Å; K531-L636 WeakPolarHBondContact O-CD2 3.5Å; K531-H639 HydrophobicContact CG-CB 4.41Å | ||
| 532 | G | 86.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -74.6 | -173.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R645 D971 D972 | G532-R645 WeakPolarHBondContact O-CD 3.44Å; G532-R645 PolarHBondContact O-NH1 3.24Å; G532-D971 CarbonylContact C-O 3.44Å; G532-D971 VanDerWaalsContact C-O 3.26Å; G532-D971 WeakPolarHBondContact CA-O 3.43Å; G532-D972 WeakPolarHBondContact CA-O 3.27Å; G532-D972 PolarHBondContact N-O 3.22Å | ||
| 533 | I | 91.2 | Very high | 75.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -116.3 | 130.5 | 174.8 | -62.1 | 175 | 0 | 0 | 0 | 108.6 | N535 N543 L546 Q547 L636 I647 D971 D972 | I533-N535 PolarHBondContact O-N 3.3Å; I533-N543 HydrophobicContact CB-CB 4.21Å; I533-N543 HydrophobicContact CG2-CB 4.38Å; I533-N543 WeakPolarHBondContact CG2-OD1 3.37Å; I533-N543 PolarHBondContact O-ND2 2.92Å; I533-N543 VanDerWaalsContact O-ND2 3.16Å; I533-L546 HydrophobicContact CD1-CB 3.72Å; I533-L546 HydrophobicContact CD1-CD1 4.4Å; I533-Q547 HydrophobicContact CD1-CG 4.02Å; I533-Q547 HydrophobicContact CG1-CG 4.38Å; I533-L636 HydrophobicContact CD1-CD1 4.4Å; I533-L636 HydrophobicContact CG1-CD2 4.18Å; I533-I647 HydrophobicContact CG2-CD1 4.2Å; I533-I647 HydrophobicContact CG2-CG2 3.29Å; I533-D971 PolarHBondContact N-O 3.19Å; I533-D971 CarbonylContact O-C 3.54Å; I533-D971 VanDerWaalsContact O-CA 3.24Å; I533-D971 WeakPolarHBondContact O-CA 3.44Å; I533-D972 PolarHBondContact O-N 3.18Å; I533-D972 VanDerWaalsContact O-N 3.11Å | ||
| 534 | L | 87.8 | Confident | 78.9 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | trans | -63 | 132.8 | -178.4 | -176 | 70.6 | 0 | 0 | 0 | 111.5 | V536 N543 | L534-V536 HydrophobicContact CD2-CG1 4.44Å; L534-V536 PolarHBondContact O-N 3.19Å; L534-N543 PolarHBondContact O-ND2 2.86Å | ||
| 535 | N | 88.1 | Confident | 81.7 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | trans | -73.2 | 119.7 | 168.7 | -160.7 | -38.6 | 0 | 0 | 0 | 109.8 | I533 G537 N538 T539 D971 | I533-N535 PolarHBondContact O-N 3.3Å; N535-G537 PolarHBondContact OD1-N 3.4Å; N535-N538 PolarHBondContact OD1-N 2.87Å; N535-N538 VanDerWaalsContact OD1-N 3.1Å; N535-T539 PolarHBondContact OD1-N 3.46Å; N535-T539 PolarHBondContact OD1-OG1 3.42Å; N535-D971 HydrophobicContact CB-CB 4.14Å; N535-D971 VanDerWaalsContact CB-OD2 3.3Å; N535-D971 WeakPolarHBondContact CB-OD2 3.41Å; N535-D971 PolarHBondContact ND2-OD2 3.27Å | ||
| 536 | V | 84.7 | Confident | 84.1 | Confident | 43 Ų | 43 | 31.8 Ų | 31.8 | 26% | 0.261 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -101.7 | 19.4 | -179.8 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | L534 T539 I647 R648 | L534-V536 HydrophobicContact CD2-CG1 4.44Å; L534-V536 PolarHBondContact O-N 3.19Å; V536-T539 HydrophobicContact CG2-CG2 3.49Å; V536-T539 VanDerWaalsContact CG2-CG2 3.49Å; V536-T539 PolarHBondContact N-OG1 2.66Å; V536-I647 HydrophobicContact CG2-CD1 4.15Å; V536-I647 HydrophobicContact CG2-CG1 4.06Å; V536-R648 HydrophobicContact CG2-CG 4.18Å |
| 537 | G | 77.4 | Confident | 86.1 | Confident | 36 Ų | 36 | 27.7 Ų | 27.7 | 37% | 0.371 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 114.3 | 96.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | N535 T539 | N535-G537 PolarHBondContact OD1-N 3.4Å; G537-T539 WeakPolarHBondContact O-CG2 3.38Å; G537-T539 PolarHBondContact O-N 3.42Å |
| 538 | N | 86.3 | Confident | 87.6 | Confident | 61 Ų | 61 | 27.3 Ų | 27.3 | 33% | 0.326 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 53.2 | 30.5 | -175.9 | -69.6 | -42.2 | 0 | 0 | 0 | 114.1 | N535 Y541 G662 Q664 | N535-N538 PolarHBondContact OD1-N 2.87Å; N535-N538 VanDerWaalsContact OD1-N 3.1Å; N538-Y541 WeakPolarHBondContact O-CD1 3.43Å; N538-Y541 VanDerWaalsContact O-CE1 3.25Å; N538-Y541 WeakPolarHBondContact O-CE1 3.45Å; N538-G662 PolarHBondContact ND2-O 2.86Å; N538-Q664 HydrophobicContact CB-CG 4.12Å; N538-Q664 PolarHBondContact OD1-NE2 2.91Å |
| 539 | T | 92.3 | Very high | 89.4 | Confident | 11 Ų | 11 | 22.8 Ų | 22.8 | 7% | 0.067 | 13% | 0.129 | C | C | . | . | trans | -97.4 | 11.8 | -178.8 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | N535 V536 G537 Y541 A542 N543 L651 | N535-T539 PolarHBondContact OD1-N 3.46Å; N535-T539 PolarHBondContact OD1-OG1 3.42Å; V536-T539 HydrophobicContact CG2-CG2 3.49Å; V536-T539 VanDerWaalsContact CG2-CG2 3.49Å; V536-T539 PolarHBondContact N-OG1 2.66Å; G537-T539 WeakPolarHBondContact O-CG2 3.38Å; G537-T539 PolarHBondContact O-N 3.42Å; T539-Y541 PolarHBondContact O-N 3.44Å; T539-A542 WeakPolarHBondContact O-CB 3.45Å; T539-A542 PolarHBondContact O-N 3Å; T539-N543 PolarHBondContact O-N 2.74Å; T539-N543 PolarHBondContact O-OD1 2.9Å; T539-L651 HydrophobicContact CG2-CD1 3.97Å | ||
| 540 | C | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.3 | -31.2 | 179.4 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | A542 N543 A544 Q664 H955 Y956 D971 | C540-A542 VanDerWaalsContact C-N 3.28Å; C540-A542 PolarHBondContact O-N 2.8Å; C540-N543 PolarHBondContact O-N 2.9Å; C540-A544 WeakPolarHBondContact O-CB 3.34Å; C540-A544 PolarHBondContact O-N 3.12Å; C540-Q664 PolarHBondContact SG-NE2 2.63Å; C540-Q664 PolarHBondContact SG-OE1 2.91Å; C540-Q664 VanDerWaalsContact SG-OE1 3.36Å; C540-H955 VanDerWaalsContact CB-CE1 3.45Å; C540-H955 WeakPolarHBondContact CB-CE1 3.42Å; C540-H955 WeakPolarHBondContact CB-ND1 3.46Å; C540-H955 PolarHBondContact SG-ND1 2.98Å; C540-H955 VanDerWaalsContact SG-ND1 3.42Å; C540-Y956 PolarHBondContact SG-N 3.06Å; C540-D971 WeakPolarHBondContact CB-OD1 3.24Å |
| 541 | Y | 95.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 173.7 | 73 | -93.6 | 0 | 0 | 0 | 112 | N538 T539 A545 L651 F659 Q665 Y670 | N538-Y541 WeakPolarHBondContact O-CD1 3.43Å; N538-Y541 VanDerWaalsContact O-CE1 3.25Å; N538-Y541 WeakPolarHBondContact O-CE1 3.45Å; T539-Y541 PolarHBondContact O-N 3.44Å; Y541-A545 WeakPolarHBondContact O-CB 3.45Å; Y541-A545 PolarHBondContact O-N 3.03Å; Y541-L651 WeakPolarHBondContact OH-CD2 3.46Å; Y541-F659 HydrophobicContact CD2-CE2 4.44Å; Y541-F659 HydrophobicContact CE2-CD2 4.19Å; Y541-F659 AromaticContact CE2-CE2 3.79Å; Y541-F659 HydrophobicContact CE2-CE2 3.79Å; Y541-Q665 VanDerWaalsContact CB-O 3.3Å; Y541-Q665 WeakPolarHBondContact CB-O 3.15Å; Y541-Q665 HydrophobicContact CD1-CB 3.92Å; Y541-Q665 HydrophobicContact CD1-CG 4.38Å; Y541-Q665 HydrophobicContact CD2-CB 4.05Å; Y541-Q665 HydrophobicContact CE1-CB 3.81Å; Y541-Q665 HydrophobicContact CE1-CG 3.81Å; Y541-Q665 HydrophobicContact CE2-CB 3.97Å; Y541-Q665 HydrophobicContact CE2-CG 4.42Å; Y541-Q665 HydrophobicContact CG-CB 4.05Å; Y541-Y670 HydrophobicContact CD2-CD1 4.38Å; Y541-Y670 HydrophobicContact CD2-CD2 4.36Å; Y541-Y670 AromaticContact CD2-CG 3.92Å; Y541-Y670 HydrophobicContact CD2-CG 3.92Å; Y541-Y670 HydrophobicContact CE2-CD1 4.47Å; Y541-Y670 AromaticContact CE2-CD2 3.74Å; Y541-Y670 HydrophobicContact CE2-CD2 3.74Å; Y541-Y670 HydrophobicContact CE2-CE2 4.4Å; Y541-Y670 AromaticContact CE2-CG 3.77Å; Y541-Y670 HydrophobicContact CE2-CG 3.77Å |
| 542 | A | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -76.3 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | T539 C540 A544 A545 L546 L651 Y670 | T539-A542 WeakPolarHBondContact O-CB 3.45Å; T539-A542 PolarHBondContact O-N 3Å; C540-A542 VanDerWaalsContact C-N 3.28Å; C540-A542 PolarHBondContact O-N 2.8Å; A542-A544 PolarHBondContact O-N 3.02Å; A542-A545 PolarHBondContact O-N 3.07Å; A542-L546 WeakPolarHBondContact O-CB 3.38Å; A542-L546 VanDerWaalsContact O-CG 3.25Å; A542-L546 WeakPolarHBondContact O-CG 3.24Å; A542-L546 PolarHBondContact O-N 3.27Å; A542-L651 HydrophobicContact CB-CD1 3.94Å; A542-L651 HydrophobicContact CB-CG 4.24Å; A542-Y670 HydrophobicContact CB-CD1 4.09Å; A542-Y670 HydrophobicContact CB-CE1 3.65Å; A542-Y670 HydrophobicContact CB-CE2 4.21Å |
| 543 | N | 95.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 177.8 | -67.2 | -6.9 | 0 | 0 | 0 | 111.3 | I533 L534 T539 C540 A545 L546 Q547 I647 D971 | I533-N543 HydrophobicContact CB-CB 4.21Å; I533-N543 HydrophobicContact CG2-CB 4.38Å; I533-N543 WeakPolarHBondContact CG2-OD1 3.37Å; I533-N543 PolarHBondContact O-ND2 2.92Å; I533-N543 VanDerWaalsContact O-ND2 3.16Å; L534-N543 PolarHBondContact O-ND2 2.86Å; T539-N543 PolarHBondContact O-N 2.74Å; T539-N543 PolarHBondContact O-OD1 2.9Å; C540-N543 PolarHBondContact O-N 2.9Å; N543-A545 VanDerWaalsContact C-N 3.34Å; N543-A545 PolarHBondContact O-N 3.13Å; N543-L546 PolarHBondContact O-N 3.28Å; N543-Q547 WeakPolarHBondContact O-CB 3.41Å; N543-Q547 VanDerWaalsContact O-CG 3.31Å; N543-Q547 WeakPolarHBondContact O-CG 2.99Å; N543-Q547 PolarHBondContact O-N 3.33Å; N543-I647 WeakPolarHBondContact OD1-CD1 2.91Å; N543-D971 PolarHBondContact ND2-OD1 3.05Å |
| 544 | A | 97.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 21 Ų | 21 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C540 A542 L548 I944 C958 | C540-A544 WeakPolarHBondContact O-CB 3.34Å; C540-A544 PolarHBondContact O-N 3.12Å; A542-A544 PolarHBondContact O-N 3.02Å; A544-L548 WeakPolarHBondContact O-CB 3.32Å; A544-L548 PolarHBondContact O-N 3.35Å; A544-I944 HydrophobicContact CB-CD1 4.17Å; A544-I944 HydrophobicContact CB-CG1 4.06Å; A544-I944 HydrophobicContact CB-CG2 3.92Å; A544-C958 HydrophobicContact CB-CB 4.17Å |
| 545 | A | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y541 A542 N543 L548 L549 Y670 L671 I944 | Y541-A545 WeakPolarHBondContact O-CB 3.45Å; Y541-A545 PolarHBondContact O-N 3.03Å; A542-A545 PolarHBondContact O-N 3.07Å; N543-A545 VanDerWaalsContact C-N 3.34Å; N543-A545 PolarHBondContact O-N 3.13Å; A545-L548 PolarHBondContact O-N 3.41Å; A545-L549 PolarHBondContact O-N 3.01Å; A545-Y670 HydrophobicContact CB-CD1 3.71Å; A545-Y670 HydrophobicContact CB-CE1 4.06Å; A545-L671 HydrophobicContact CB-CB 4.15Å; A545-L671 HydrophobicContact CB-CD1 4.23Å; A545-I944 HydrophobicContact CB-CD1 4.32Å |
| 546 | L | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67 | -40 | 177.9 | -71.4 | 166.4 | 0 | 0 | 0 | 111.7 | I533 A542 N543 L549 Y550 L629 L632 I647 V650 Y670 L674 | I533-L546 HydrophobicContact CD1-CB 3.72Å; I533-L546 HydrophobicContact CD1-CD1 4.4Å; A542-L546 WeakPolarHBondContact O-CB 3.38Å; A542-L546 VanDerWaalsContact O-CG 3.25Å; A542-L546 WeakPolarHBondContact O-CG 3.24Å; A542-L546 PolarHBondContact O-N 3.27Å; N543-L546 PolarHBondContact O-N 3.28Å; L546-L549 PolarHBondContact O-N 2.96Å; L546-Y550 WeakPolarHBondContact O-CB 3.37Å; L546-Y550 PolarHBondContact O-N 3.24Å; L546-L629 HydrophobicContact CD2-CD1 3.68Å; L546-L632 HydrophobicContact CD1-CD2 3.93Å; L546-L632 HydrophobicContact CD2-CD2 4.25Å; L546-I647 HydrophobicContact CD1-CB 4.35Å; L546-I647 HydrophobicContact CD1-CG2 3.83Å; L546-V650 HydrophobicContact CD2-CG1 4.28Å; L546-Y670 HydrophobicContact CG-CE1 4.5Å; L546-L674 HydrophobicContact CD2-CD2 4Å |
| 547 | Q | 95.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.6 | -72.5 | -68.5 | 17.9 | 0 | 0 | 111.6 | K531 I533 N543 L549 Y550 H551 C958 F969 | K531-Q547 PolarHBondContact O-NE2 3.39Å; I533-Q547 HydrophobicContact CD1-CG 4.02Å; I533-Q547 HydrophobicContact CG1-CG 4.38Å; N543-Q547 WeakPolarHBondContact O-CB 3.41Å; N543-Q547 VanDerWaalsContact O-CG 3.31Å; N543-Q547 WeakPolarHBondContact O-CG 2.99Å; N543-Q547 PolarHBondContact O-N 3.33Å; Q547-L549 VanDerWaalsContact C-N 3.31Å; Q547-L549 PolarHBondContact O-N 3.22Å; Q547-Y550 PolarHBondContact O-N 3.13Å; Q547-H551 PolarHBondContact O-CD2 3.47Å; Q547-H551 PolarHBondContact O-N 2.79Å; Q547-C958 HydrophobicContact CB-CB 3.78Å; Q547-F969 HydrophobicContact CG-CB 4.07Å; Q547-F969 HydrophobicContact CG-CG 4.3Å |
| 548 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.1 | -43.3 | 176.3 | -177.7 | 130.7 | 0 | 0 | 0 | 111.6 | A544 A545 C552 L671 L877 A942 I944 L994 | A544-L548 WeakPolarHBondContact O-CB 3.32Å; A544-L548 PolarHBondContact O-N 3.35Å; A545-L548 PolarHBondContact O-N 3.41Å; L548-C552 PolarHBondContact O-N 3.31Å; L548-L671 HydrophobicContact CD2-CD2 3.93Å; L548-L877 HydrophobicContact CD2-CD2 3.8Å; L548-A942 HydrophobicContact CD1-CB 4.09Å; L548-A942 HydrophobicContact CG-CB 4.16Å; L548-I944 HydrophobicContact CB-CD1 4.34Å; L548-I944 HydrophobicContact CB-CG1 4.24Å; L548-I944 HydrophobicContact CD1-CD1 4.29Å; L548-I944 HydrophobicContact CD1-CG1 3.83Å; L548-L994 HydrophobicContact CD1-CB 4.07Å; L548-L994 HydrophobicContact CD2-CB 4.22Å; L548-L994 HydrophobicContact CG-CB 4.16Å; L548-L994 HydrophobicContact CG-CD2 4.45Å |
| 549 | L | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.5 | -40.2 | 174.9 | -74.4 | -179.8 | 0 | 0 | 0 | 113.6 | A545 L546 Q547 H551 C552 F555 F633 L671 L674 L675 F760 | A545-L549 PolarHBondContact O-N 3.01Å; L546-L549 PolarHBondContact O-N 2.96Å; Q547-L549 VanDerWaalsContact C-N 3.31Å; Q547-L549 PolarHBondContact O-N 3.22Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 2.9Å; L549-C552 VanDerWaalsContact O-CB 3.27Å; L549-C552 WeakPolarHBondContact O-CB 3.22Å; L549-C552 PolarHBondContact O-N 2.89Å; L549-C552 VanDerWaalsContact O-N 3.09Å; L549-F555 HydrophobicContact CB-CD1 4.18Å; L549-F555 HydrophobicContact CB-CE1 4.14Å; L549-F555 HydrophobicContact CD1-CE1 4.28Å; L549-F555 HydrophobicContact CD1-CZ 4.48Å; L549-F555 HydrophobicContact CD2-CD1 4.38Å; L549-F555 HydrophobicContact CD2-CE1 4.43Å; L549-F633 HydrophobicContact CB-CZ 3.97Å; L549-L671 HydrophobicContact CD1-CD1 3.43Å; L549-L671 VanDerWaalsContact CD1-CD1 3.43Å; L549-L671 HydrophobicContact CD2-CD1 3.96Å; L549-L671 HydrophobicContact CG-CD1 3.53Å; L549-L674 HydrophobicContact CD1-CD2 3.59Å; L549-L674 HydrophobicContact CD1-CG 4.4Å; L549-L675 HydrophobicContact CD1-CD2 4.27Å; L549-L675 HydrophobicContact CD2-CD2 4.06Å; L549-F760 HydrophobicContact CD2-CE2 4.33Å; L549-F760 HydrophobicContact CD2-CZ 3.99Å |
| 550 | Y | 94.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 6% | 0.059 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.6 | -39 | 178.6 | 172.7 | -102.9 | 0 | 0 | 0 | 111.6 | L546 Q547 C552 R556 F633 L636 D637 | L546-Y550 WeakPolarHBondContact O-CB 3.37Å; L546-Y550 PolarHBondContact O-N 3.24Å; Q547-Y550 PolarHBondContact O-N 3.13Å; Y550-C552 VanDerWaalsContact C-N 3.27Å; Y550-C552 PolarHBondContact O-N 3.5Å; Y550-R556 PolarHBondContact O-NE 3.36Å; Y550-R556 PolarHBondContact OH-NH1 2.9Å; Y550-F633 HydrophobicContact CD2-CB 4.16Å; Y550-F633 HydrophobicContact CD2-CD1 4.18Å; Y550-F633 AromaticContact CD2-CD2 3.91Å; Y550-F633 HydrophobicContact CD2-CD2 3.91Å; Y550-F633 HydrophobicContact CD2-CE2 4.33Å; Y550-F633 AromaticContact CD2-CG 3.83Å; Y550-F633 HydrophobicContact CD2-CG 3.83Å; Y550-L636 HydrophobicContact CD1-CD1 4.33Å; Y550-L636 HydrophobicContact CD2-CB 4.13Å; Y550-L636 HydrophobicContact CD2-CD1 3.89Å; Y550-L636 HydrophobicContact CE1-CB 4.29Å; Y550-L636 HydrophobicContact CE2-CB 3.68Å; Y550-L636 HydrophobicContact CE2-CD1 4.32Å; Y550-L636 HydrophobicContact CG-CD1 3.91Å; Y550-D637 PolarHBondContact OH-OD1 3.18Å |
| 551 | H | 94.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 7% | 0.069 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.9 | 177.3 | -75 | -70 | 0 | 0 | 0 | 114.4 | Q547 L549 S553 Q941 A960 F969 | Q547-H551 PolarHBondContact O-CD2 3.47Å; Q547-H551 PolarHBondContact O-N 2.79Å; L549-H551 VanDerWaalsContact C-N 3.26Å; L549-H551 PolarHBondContact O-N 2.9Å; H551-S553 PolarHBondContact O-N 3.37Å; H551-S553 VanDerWaalsContact O-N 3.15Å; H551-Q941 PolarHBondContact O-NE2 3.17Å; H551-A960 HydrophobicContact CB-CB 3.64Å; H551-A960 VanDerWaalsContact CG-CB 3.4Å; H551-F969 AromaticContact CD2-CE2 3.84Å; H551-F969 AromaticContact CE1-CE2 3.86Å; H551-F969 AromaticContact CE1-CZ 3.61Å; H551-F969 AromaticContact NE2-CE1 3.85Å; H551-F969 AromaticContact NE2-CE2 3.19Å; H551-F969 WeakPolarHBondContact NE2-CE2 3.44Å; H551-F969 AromaticContact NE2-CZ 3.08Å; H551-F969 WeakPolarHBondContact NE2-CZ 3.21Å |
| 552 | C | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -74.3 | 95.6 | 162.7 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | L548 L549 Y550 E554 F555 R556 H875 L994 | L548-C552 PolarHBondContact O-N 3.31Å; L549-C552 VanDerWaalsContact O-CB 3.27Å; L549-C552 WeakPolarHBondContact O-CB 3.22Å; L549-C552 PolarHBondContact O-N 2.89Å; L549-C552 VanDerWaalsContact O-N 3.09Å; Y550-C552 VanDerWaalsContact C-N 3.27Å; Y550-C552 PolarHBondContact O-N 3.5Å; C552-E554 VanDerWaalsContact C-N 3.31Å; C552-E554 PolarHBondContact O-N 3.49Å; C552-F555 HydrophobicContact CB-CB 3.83Å; C552-F555 PolarHBondContact O-N 3.29Å; C552-F555 VanDerWaalsContact O-N 3.15Å; C552-F555 VanDerWaalsContact SG-CB 3.57Å; C552-R556 PolarHBondContact O-N 2.9Å; C552-H875 PolarHBondContact SG-CD2 3.4Å; C552-L994 HydrophobicContact CB-CD2 3.82Å | ||
| 553 | S | 91.1 | Very high | 90.2 | Very high | 47 Ų | 47 | 29.8 Ų | 29.8 | 33% | 0.329 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.2 | -40 | -174 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | H551 R557 | H551-S553 PolarHBondContact O-N 3.37Å; H551-S553 VanDerWaalsContact O-N 3.15Å; S553-R557 WeakPolarHBondContact O-CB 3.49Å; S553-R557 VanDerWaalsContact O-CG 3.3Å; S553-R557 WeakPolarHBondContact O-CG 3.36Å; S553-R557 PolarHBondContact O-N 3.18Å |
| 554 | E | 92.8 | Very high | 88.5 | Confident | 89 Ų | 89 | 37.9 Ų | 37.9 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.4 | -38.9 | 178.7 | -69.5 | -55.4 | 125.6 | 0 | 0 | 111.9 | C552 R557 A558 L759 | C552-E554 VanDerWaalsContact C-N 3.31Å; C552-E554 PolarHBondContact O-N 3.49Å; E554-R557 PolarHBondContact O-N 3.44Å; E554-A558 VanDerWaalsContact O-CB 3.29Å; E554-A558 WeakPolarHBondContact O-CB 3.09Å; E554-A558 PolarHBondContact O-N 2.92Å; E554-L759 HydrophobicContact CB-CD1 4.43Å; E554-L759 HydrophobicContact CB-CD2 4Å |
| 555 | F | 95 | Very high | 86.4 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -48.3 | 174.4 | -179.8 | -98.7 | 0 | 0 | 0 | 111.3 | L549 C552 R557 A558 L559 L629 F633 L675 L678 V755 L759 F760 | L549-F555 HydrophobicContact CB-CD1 4.18Å; L549-F555 HydrophobicContact CB-CE1 4.14Å; L549-F555 HydrophobicContact CD1-CE1 4.28Å; L549-F555 HydrophobicContact CD1-CZ 4.48Å; L549-F555 HydrophobicContact CD2-CD1 4.38Å; L549-F555 HydrophobicContact CD2-CE1 4.43Å; C552-F555 HydrophobicContact CB-CB 3.83Å; C552-F555 PolarHBondContact O-N 3.29Å; C552-F555 VanDerWaalsContact O-N 3.15Å; C552-F555 VanDerWaalsContact SG-CB 3.57Å; F555-R557 VanDerWaalsContact C-N 3.33Å; F555-R557 PolarHBondContact O-N 3.03Å; F555-A558 PolarHBondContact O-N 2.72Å; F555-A558 VanDerWaalsContact O-N 3.12Å; F555-L559 WeakPolarHBondContact O-CB 3.25Å; F555-L559 PolarHBondContact O-N 2.87Å; F555-L629 HydrophobicContact CE1-CD2 4.3Å; F555-L629 HydrophobicContact CZ-CD2 4.2Å; F555-F633 AromaticContact CD1-CE2 3.97Å; F555-F633 HydrophobicContact CD1-CE2 3.97Å; F555-F633 AromaticContact CE1-CE2 3.86Å; F555-F633 HydrophobicContact CE1-CE2 3.86Å; F555-F633 HydrophobicContact CE1-CZ 4.2Å; F555-L675 HydrophobicContact CE2-CD2 4.41Å; F555-L678 HydrophobicContact CE2-CD1 4.43Å; F555-L678 HydrophobicContact CZ-CD1 3.89Å; F555-V755 HydrophobicContact CD2-CG1 4.46Å; F555-L759 HydrophobicContact CB-CD1 3.92Å; F555-L759 HydrophobicContact CD2-CD1 4.21Å; F555-F760 HydrophobicContact CB-CZ 4.17Å; F555-F760 AromaticContact CD2-CE2 3.74Å; F555-F760 HydrophobicContact CD2-CE2 3.74Å; F555-F760 HydrophobicContact CD2-CZ 4.18Å; F555-F760 HydrophobicContact CE2-CE2 4.32Å; F555-F760 HydrophobicContact CG-CE2 4.32Å; F555-F760 HydrophobicContact CG-CZ 4.31Å |
| 556 | R | 92.3 | Very high | 84.2 | Confident | 59 Ų | 59 | 44.9 Ų | 44.9 | 22% | 0.223 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 176.2 | -179.9 | 172.6 | 56.5 | 158.4 | -10.9 | 111.9 | Y550 C552 L559 F560 F633 D637 | Y550-R556 PolarHBondContact O-NE 3.36Å; Y550-R556 PolarHBondContact OH-NH1 2.9Å; C552-R556 PolarHBondContact O-N 2.9Å; R556-L559 PolarHBondContact O-N 3.1Å; R556-F560 HydrophobicContact CG-CD2 3.97Å; R556-F560 HydrophobicContact CG-CE2 3.52Å; R556-F560 HydrophobicContact CG-CZ 4Å; R556-F560 WeakPolarHBondContact O-CD2 3.45Å; R556-F560 WeakPolarHBondContact O-CG 3.35Å; R556-F560 PolarHBondContact O-N 3.09Å; R556-F633 HydrophobicContact CB-CD2 4.35Å; R556-F633 HydrophobicContact CG-CD2 4.16Å; R556-D637 IonicContact CZ-OD1 2.83Å; R556-D637 IonicContact NH1-OD1 3.73Å; R556-D637 PolarHBondContact NH1-OD1 3.06Å |
| 557 | R | 90.6 | Very high | 81.8 | Confident | 175 Ų | 175 | 48.6 Ų | 48.6 | 66% | 0.66 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.5 | -42 | 174.5 | -80.8 | 174.7 | 62 | 101.2 | 0.3 | 112.1 | S553 E554 F555 F560 G561 | S553-R557 WeakPolarHBondContact O-CB 3.49Å; S553-R557 VanDerWaalsContact O-CG 3.3Å; S553-R557 WeakPolarHBondContact O-CG 3.36Å; S553-R557 PolarHBondContact O-N 3.18Å; E554-R557 PolarHBondContact O-N 3.44Å; F555-R557 VanDerWaalsContact C-N 3.33Å; F555-R557 PolarHBondContact O-N 3.03Å; R557-F560 PolarHBondContact O-N 3.05Å; R557-G561 PolarHBondContact O-N 3.1Å |
| 558 | A | 90.5 | Very high | 79.2 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 20% | 0.198 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E554 F555 F560 G561 F562 V755 | E554-A558 VanDerWaalsContact O-CB 3.29Å; E554-A558 WeakPolarHBondContact O-CB 3.09Å; E554-A558 PolarHBondContact O-N 2.92Å; F555-A558 PolarHBondContact O-N 2.72Å; F555-A558 VanDerWaalsContact O-N 3.12Å; A558-F560 PolarHBondContact O-N 3.35Å; A558-G561 PolarHBondContact O-N 3.23Å; A558-G561 VanDerWaalsContact O-N 3.13Å; A558-F562 WeakPolarHBondContact O-CD2 3.34Å; A558-F562 PolarHBondContact O-N 3.39Å; A558-V755 HydrophobicContact CB-CB 4.42Å; A558-V755 HydrophobicContact CB-CG1 3.52Å; A558-V755 HydrophobicContact CB-CG2 4Å |
| 559 | L | 89.2 | Confident | 76.4 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 174.4 | -167.6 | 82.1 | 0 | 0 | 0 | 111.4 | F555 R556 G561 F562 H626 L629 F630 F633 | F555-L559 WeakPolarHBondContact O-CB 3.25Å; F555-L559 PolarHBondContact O-N 2.87Å; R556-L559 PolarHBondContact O-N 3.1Å; L559-G561 VanDerWaalsContact C-N 3.32Å; L559-G561 PolarHBondContact O-N 3.04Å; L559-F562 PolarHBondContact O-N 3.41Å; L559-H626 VanDerWaalsContact CD1-CD2 3.45Å; L559-H626 WeakPolarHBondContact CD1-CD2 3.24Å; L559-H626 WeakPolarHBondContact CD1-NE2 3.45Å; L559-L629 HydrophobicContact CD1-CB 4.45Å; L559-L629 HydrophobicContact CD1-CD2 3.96Å; L559-L629 HydrophobicContact CD1-CG 4.25Å; L559-L629 HydrophobicContact CD2-CB 4.49Å; L559-L629 HydrophobicContact CD2-CD2 4.39Å; L559-L629 HydrophobicContact CD2-CG 3.98Å; L559-F630 HydrophobicContact CD2-CB 4.5Å; L559-F633 HydrophobicContact CD2-CB 3.99Å; L559-F633 HydrophobicContact CD2-CD2 3.43Å; L559-F633 VanDerWaalsContact CD2-CD2 3.43Å; L559-F633 HydrophobicContact CD2-CE2 4.04Å; L559-F633 HydrophobicContact CD2-CG 3.77Å |
| 560 | F | 85.6 | Confident | 73.2 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 23% | 0.228 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.4 | -29.9 | 175.9 | -66.4 | -26.7 | 0 | 0 | 0 | 113.4 | R556 R557 A558 F630 F633 Q634 D637 | R556-F560 HydrophobicContact CG-CD2 3.97Å; R556-F560 HydrophobicContact CG-CE2 3.52Å; R556-F560 HydrophobicContact CG-CZ 4Å; R556-F560 WeakPolarHBondContact O-CD2 3.45Å; R556-F560 WeakPolarHBondContact O-CG 3.35Å; R556-F560 PolarHBondContact O-N 3.09Å; R557-F560 PolarHBondContact O-N 3.05Å; A558-F560 PolarHBondContact O-N 3.35Å; F560-F630 HydrophobicContact CB-CE2 4.39Å; F560-F630 AromaticContact CD1-CD2 3.57Å; F560-F630 HydrophobicContact CD1-CD2 3.57Å; F560-F630 AromaticContact CD1-CE2 3.44Å; F560-F630 HydrophobicContact CD1-CE2 3.44Å; F560-F630 VanDerWaalsContact CD1-CE2 3.44Å; F560-F630 HydrophobicContact CD1-CZ 4.35Å; F560-F630 HydrophobicContact CE1-CD2 4.17Å; F560-F630 HydrophobicContact CE1-CE2 4.15Å; F560-F630 HydrophobicContact CG-CE2 4.32Å; F560-F633 HydrophobicContact CE1-CB 3.93Å; F560-F633 HydrophobicContact CZ-CB 4.05Å; F560-Q634 HydrophobicContact CE1-CB 4.35Å; F560-D637 HydrophobicContact CZ-CB 4.47Å |
| 561 | G | 79 | Confident | 70 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R557 A558 L559 H563 K564 A565 | R557-G561 PolarHBondContact O-N 3.1Å; A558-G561 PolarHBondContact O-N 3.23Å; A558-G561 VanDerWaalsContact O-N 3.13Å; L559-G561 VanDerWaalsContact C-N 3.32Å; L559-G561 PolarHBondContact O-N 3.04Å; G561-H563 VanDerWaalsContact C-N 3.29Å; G561-H563 PolarHBondContact O-N 3.03Å; G561-K564 PolarHBondContact O-N 3.47Å; G561-A565 PolarHBondContact O-N 2.89Å |
| 562 | F | 68.2 | Low | 67.1 | Low | 44 Ų | 44 | 70.5 Ų | 70.5 | 19% | 0.193 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 177.8 | -98 | -73 | 0 | 0 | 0 | 112.6 | A558 L559 K564 A565 Y566 H626 E682 V755 | A558-F562 WeakPolarHBondContact O-CD2 3.34Å; A558-F562 PolarHBondContact O-N 3.39Å; L559-F562 PolarHBondContact O-N 3.41Å; F562-K564 VanDerWaalsContact C-N 3.34Å; F562-K564 PolarHBondContact O-N 3.49Å; F562-A565 PolarHBondContact O-N 2.86Å; F562-Y566 PolarHBondContact O-N 3.12Å; F562-Y566 VanDerWaalsContact O-N 3.14Å; F562-H626 WeakPolarHBondContact CB-NE2 3.41Å; F562-H626 AromaticContact CD2-CE1 3.48Å; F562-H626 VanDerWaalsContact CD2-CE1 3.48Å; F562-H626 WeakPolarHBondContact CD2-CE1 3.43Å; F562-H626 AromaticContact CD2-NE2 3.58Å; F562-H626 AromaticContact CE2-CE1 3.91Å; F562-H626 AromaticContact CG-CE1 3.75Å; F562-H626 AromaticContact CG-NE2 3.67Å; F562-E682 HydrophobicContact CE2-CG 4.16Å; F562-E682 HydrophobicContact CZ-CG 3.88Å; F562-V755 HydrophobicContact CD2-CG2 4.32Å; F562-V755 HydrophobicContact CE2-CB 4.18Å; F562-V755 HydrophobicContact CE2-CG2 3.45Å; F562-V755 VanDerWaalsContact CE2-CG2 3.45Å; F562-V755 HydrophobicContact CZ-CG2 4.2Å |
| 563 | H | 60.4 | Low | 64.1 | Low | 51 Ų | 51 | 74.6 Ų | 74.6 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 178.6 | -164.5 | -50.6 | 0 | 0 | 0 | 112.5 | G561 A565 Y566 S567 F630 | G561-H563 VanDerWaalsContact C-N 3.29Å; G561-H563 PolarHBondContact O-N 3.03Å; H563-A565 VanDerWaalsContact C-N 3.34Å; H563-A565 PolarHBondContact O-N 3.02Å; H563-Y566 PolarHBondContact O-N 3.27Å; H563-S567 PolarHBondContact CE1-OG 3.3Å; H563-S567 PolarHBondContact ND1-OG 2.94Å; H563-S567 WeakPolarHBondContact O-CB 3.27Å; H563-S567 PolarHBondContact O-N 3.49Å; H563-S567 PolarHBondContact O-OG 2.89Å; H563-F630 HydrophobicContact CB-CD2 3.76Å; H563-F630 HydrophobicContact CB-CE2 3.51Å; H563-F630 HydrophobicContact CB-CG 4.48Å; H563-F630 HydrophobicContact CB-CZ 4.05Å; H563-F630 AromaticContact CD2-CD1 3.5Å; H563-F630 VanDerWaalsContact CD2-CD1 3.5Å; H563-F630 WeakPolarHBondContact CD2-CD1 3.3Å; H563-F630 AromaticContact CD2-CD2 3.87Å; H563-F630 AromaticContact CD2-CE1 3.38Å; H563-F630 WeakPolarHBondContact CD2-CE1 3.43Å; H563-F630 AromaticContact CD2-CE2 3.75Å; H563-F630 AromaticContact CD2-CG 3.77Å; H563-F630 AromaticContact CD2-CZ 3.52Å; H563-F630 AromaticContact CG-CE2 3.82Å; H563-F630 AromaticContact CG-CZ 3.84Å; H563-F630 AromaticContact NE2-CE1 3.89Å |
| 564 | K | 58.4 | Low | 61.2 | Low | 172 Ų | 172 | 76.3 Ų | 76.3 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.6 | -39.7 | 175.5 | -86.2 | -175.6 | 176.9 | 179 | 0 | 111.9 | G561 F562 S568 | G561-K564 PolarHBondContact O-N 3.47Å; F562-K564 VanDerWaalsContact C-N 3.34Å; F562-K564 PolarHBondContact O-N 3.49Å; K564-S568 PolarHBondContact O-N 2.98Å; K564-S568 PolarHBondContact O-OG 3.11Å; K564-S568 VanDerWaalsContact O-OG 3.07Å |
| 565 | A | 53.9 | Low | 58.2 | Low | 59 Ų | 59 | 76.5 Ų | 76.5 | 49% | 0.488 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G561 F562 H563 S568 | G561-A565 PolarHBondContact O-N 2.89Å; F562-A565 PolarHBondContact O-N 2.86Å; H563-A565 VanDerWaalsContact C-N 3.34Å; H563-A565 PolarHBondContact O-N 3.02Å; A565-S568 PolarHBondContact O-OG 3.12Å |
| 566 | Y | 51.5 | Low | 55.1 | Low | 91 Ų | 91 | 80.3 Ų | 80.3 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.7 | -31.3 | 177.8 | -97.1 | -85.6 | 0 | 0 | 0 | 113.9 | F562 H563 S568 A569 C685 | F562-Y566 PolarHBondContact O-N 3.12Å; F562-Y566 VanDerWaalsContact O-N 3.14Å; H563-Y566 PolarHBondContact O-N 3.27Å; Y566-S568 PolarHBondContact O-N 3.46Å; Y566-A569 CarbonylContact O-C 3.6Å; Y566-A569 PolarHBondContact O-N 3.49Å; Y566-A569 VanDerWaalsContact O-O 3.11Å; Y566-C685 VanDerWaalsContact OH-CB 3.31Å; Y566-C685 WeakPolarHBondContact OH-CB 3.18Å; Y566-C685 PolarHBondContact OH-SG 2.98Å |
| 567 | S | 45.9 | Very low | 52.2 | Low | 78 Ų | 78 | 82.2 Ų | 82.2 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -23.1 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 113 | H563 | H563-S567 PolarHBondContact CE1-OG 3.3Å; H563-S567 PolarHBondContact ND1-OG 2.94Å; H563-S567 WeakPolarHBondContact O-CB 3.27Å; H563-S567 PolarHBondContact O-N 3.49Å; H563-S567 PolarHBondContact O-OG 2.89Å |
| 568 | S | 41.2 | Very low | 49.2 | Very low | 100 Ų | 100 | 77.4 Ų | 77.4 | 70% | 0.699 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.1 | 171.8 | 38.8 | 0 | 0 | 0 | 0 | 114.4 | K564 A565 Y566 | K564-S568 PolarHBondContact O-N 2.98Å; K564-S568 PolarHBondContact O-OG 3.11Å; K564-S568 VanDerWaalsContact O-OG 3.07Å; A565-S568 PolarHBondContact O-OG 3.12Å; Y566-S568 PolarHBondContact O-N 3.46Å |
| 569 | A | 38.7 | Very low | 46.3 | Very low | 64 Ų | 64 | 85.6 Ų | 85.6 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -103.5 | 83.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y566 T571 | Y566-A569 CarbonylContact O-C 3.6Å; Y566-A569 PolarHBondContact O-N 3.49Å; Y566-A569 VanDerWaalsContact O-O 3.11Å; A569-T571 PolarHBondContact O-N 3.41Å |
| 570 | G | 28.6 | Very low | 43.4 | Very low | 67 Ų | 67 | 90.7 Ų | 90.7 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | trans | -55 | 124.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 571 | T | 28.3 | Very low | 40.5 | Very low | 137 Ų | 137 | 93.3 Ų | 93.3 | 84% | 0.84 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 172 | -18 | 132.7 | -70.8 | 0 | 0 | 0 | 0 | 115.6 | A569 | A569-T571 PolarHBondContact O-N 3.41Š|
| 572 | V | 31.8 | Very low | 38.1 | Very low | 126 Ų | 126 | 101.1 Ų | 101.1 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -110 | -11.5 | -163.5 | -172.8 | 0 | 0 | 0 | 0 | 118.2 | ||
| 573 | M | 34.2 | Very low | 36.2 | Very low | 86 Ų | 86 | 106.9 Ų | 106.9 | 42% | 0.424 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -92 | 0.8 | -170.6 | -134.8 | -166.7 | -73.8 | 0 | 0 | 117.1 | S575 | M573-S575 VanDerWaalsContact C-N 3.28Å; M573-S575 PolarHBondContact O-N 2.93Å |
| 574 | A | 29.4 | Very low | 34.5 | Very low | 84 Ų | 84 | 111 Ų | 111 | 69% | 0.694 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -76.8 | -7.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 575 | S | 29.8 | Very low | 32.8 | Very low | 93 Ų | 93 | 109.8 Ų | 109.8 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -101.8 | -7.6 | -174 | -57.5 | 0 | 0 | 0 | 0 | 114.9 | M573 S578 | M573-S575 VanDerWaalsContact C-N 3.28Å; M573-S575 PolarHBondContact O-N 2.93Å; S575-S578 PolarHBondContact O-OG 3.11Å |
| 576 | C | 30.1 | Very low | 31.5 | Very low | 83 Ų | 83 | 114.2 Ų | 114.2 | 56% | 0.561 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -102.6 | -15.3 | -175.3 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 577 | T | 30.3 | Very low | 30.3 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 60% | 0.601 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -86.8 | -10.4 | 177 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | F579 | T577-F579 VanDerWaalsContact C-N 3.33Å; T577-F579 PolarHBondContact O-N 2.97Å |
| 578 | S | 29.2 | Very low | 29.4 | Very low | 74 Ų | 74 | 119 Ų | 119 | 52% | 0.517 | 71% | 0.713 | S | S | . | * | G | 310 helix | trans | -83 | 1.2 | 179.8 | 24.1 | 0 | 0 | 0 | 0 | 115 | S575 | S575-S578 PolarHBondContact O-OG 3.11Š|
| 579 | F | 29.2 | Very low | 28.7 | Very low | 196 Ų | 196 | 119.6 Ų | 119.6 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -99.5 | -1.4 | 173.1 | -94.4 | -83.8 | 0 | 0 | 0 | 114.8 | T577 | T577-F579 VanDerWaalsContact C-N 3.33Å; T577-F579 PolarHBondContact O-N 2.97Å |
| 580 | S | 28.3 | Very low | 28.1 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -112.9 | 2.4 | 177.5 | -93.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 581 | T | 25 | Very low | 28 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | trans | -119.5 | 39.5 | -177.7 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 582 | K | 27.4 | Very low | 27.9 | Very low | 202 Ų | 202 | 127.8 Ų | 127.8 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | trans | -116.8 | 59.2 | 158.3 | -85 | -171.1 | 177.9 | 178.1 | 0 | 110.5 | ||||
| 583 | I | 28.8 | Very low | 27.9 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | -134.3 | 74.2 | 157.4 | -55.8 | 179.7 | 0 | 0 | 0 | 105.7 | ||||
| 584 | D | 24 | Very low | 27.8 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -113.4 | 124.6 | 168.2 | -97.2 | -30.2 | 0 | 0 | 0 | 108.8 | ||||
| 585 | L | 24.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 65 | 91.9 | 149.3 | -66.2 | 151.5 | 0 | 0 | 0 | 118 | ||||
| 586 | V | 25.7 | Very low | 27.4 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 92% | 0.915 | 76% | 0.762 | S | S | * | * | trans | -125.1 | 112.5 | 147.2 | -178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 587 | L | 25.7 | Very low | 27.1 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -63 | 155.5 | 170.2 | -89.5 | 120.4 | 0 | 0 | 0 | 111.6 | S589 | L587-S589 PolarHBondContact O-N 3.42Š| ||
| 588 | P | 27.7 | Very low | 27 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -83.1 | 116.8 | -176.7 | 32.7 | -29.3 | 0 | 0 | 0 | 110.8 | ||||
| 589 | S | 27.1 | Very low | 26.7 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -129.1 | 109.3 | 162.6 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | L587 | L587-S589 PolarHBondContact O-N 3.42Š| ||
| 590 | Q | 26.5 | Very low | 26.6 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 17.1 | 131.2 | 148.7 | -57.6 | -170.2 | -3.7 | 0 | 0 | 120.6 | ||||
| 591 | N | 24.9 | Very low | 26.4 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 95 | 126.9 | 147.9 | -70.1 | -15.7 | 0 | 0 | 0 | 120.4 | ||||
| 592 | S | 26.1 | Very low | 26.5 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 72.7 | 111.5 | 154.1 | 46.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 593 | N | 32.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | 7.2 | 136.4 | 151.1 | -77.8 | -6.6 | 0 | 0 | 0 | 117.3 | ||||
| 594 | P | 31.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | -156.2 | 152.9 | 83.2 | 39.3 | -19.2 | 0 | 0 | 0 | 117.9 | |||||
| 595 | S | 25.7 | Very low | 26.4 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -52.8 | 150 | 146.4 | 35.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 596 | N | 26.7 | Very low | 26.4 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | 70.5 | 95.9 | 173.5 | -61.5 | -10.9 | 0 | 0 | 0 | 116 | ||||
| 597 | N | 23.8 | Very low | 26.3 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 172.3 | 100.5 | 131.7 | -85.8 | -24.4 | 0 | 0 | 0 | 110.2 | ||||
| 598 | L | 26.9 | Very low | 26.3 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -134.4 | 59 | 161 | -108.7 | 147 | 0 | 0 | 0 | 108.5 | L600 | L598-L600 HydrophobicContact CD2-CD1 3.7Å; L598-L600 HydrophobicContact CD2-CG 4Å; L598-L600 PolarHBondContact O-N 2.82Å | ||
| 599 | S | 23 | Very low | 26.2 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 91.9 | 152.4 | 60.5 | 0 | 0 | 0 | 0 | 107.5 | S601 | S599-S601 PolarHBondContact O-N 2.79Š| ||
| 600 | L | 28.3 | Very low | 26 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -83.8 | 95 | 160.4 | -81.6 | 165.3 | 0 | 0 | 0 | 107.1 | L598 V602 | L598-L600 HydrophobicContact CD2-CD1 3.7Å; L598-L600 HydrophobicContact CD2-CG 4Å; L598-L600 PolarHBondContact O-N 2.82Å; L600-V602 PolarHBondContact O-N 2.76Å | ||
| 601 | S | 23.7 | Very low | 25.9 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -56.8 | 122 | 170.6 | 52.5 | 0 | 0 | 0 | 0 | 110 | S599 S603 | S599-S601 PolarHBondContact O-N 2.79Å; S601-S603 PolarHBondContact O-N 2.88Å | ||
| 602 | V | 26.7 | Very low | 26.1 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -64.7 | 80.7 | 160.7 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | L600 | L600-V602 PolarHBondContact O-N 2.76Š| ||
| 603 | S | 23.9 | Very low | 26.1 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 55% | 0.552 | 80% | 0.802 | S | S | * | * | trans | -152.2 | 69.5 | -180 | -55.2 | 0 | 0 | 0 | 0 | 108.7 | S601 | S601-S603 PolarHBondContact O-N 2.88Š| ||
| 604 | N | 25.6 | Very low | 25.7 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -160.9 | 31 | 160 | -89.8 | -29 | 0 | 0 | 0 | 112 | ||
| 605 | L | 27.7 | Very low | 25.5 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -126.3 | 23.1 | 172 | -92.1 | 156.8 | 0 | 0 | 0 | 111.7 | ||
| 606 | H | 25 | Very low | 25.5 | Very low | 186 Ų | 186 | 138 Ų | 138 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -142.2 | 63.4 | -177.2 | -124 | 60 | 0 | 0 | 0 | 111.7 | ||||
| 607 | E | 24 | Very low | 25.5 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -155.7 | 78.8 | 163.2 | -112.8 | 174.5 | -158.3 | 0 | 0 | 108.5 | ||
| 608 | N | 26.1 | Very low | 25.9 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | 176.3 | 69.4 | 153.4 | -89.4 | -18.9 | 0 | 0 | 0 | 108.8 | ||||
| 609 | A | 24.5 | Very low | 26.2 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -145.7 | 79.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 610 | C | 22.8 | Very low | 27 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -157.3 | 74.5 | 158.7 | -153.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 611 | S | 25.7 | Very low | 28 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -179.6 | 125.5 | 145.9 | 45.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 612 | S | 28.8 | Very low | 29.7 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 74.1 | 127.4 | 155.4 | 53.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 613 | D | 24.8 | Very low | 31.9 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | -63.5 | 160.2 | -180 | -63.1 | -64.7 | 0 | 0 | 0 | 115.5 | ||||
| 614 | N | 25.3 | Very low | 34.8 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | 102.4 | 115.5 | 155.3 | -67.9 | -29.8 | 0 | 0 | 0 | 119.1 | ||||
| 615 | V | 26.5 | Very low | 37.9 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | 86 | 123 | 141.9 | -179.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 616 | T | 26.6 | Very low | 40.8 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 73% | 0.73 | 66% | 0.657 | S | S | * | * | trans | 75.3 | 92.8 | 166 | 52.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 617 | S | 26.2 | Very low | 43.7 | Very low | 128 Ų | 128 | 106 Ų | 106 | 90% | 0.895 | 63% | 0.629 | S | S | * | * | trans | -108 | 80.2 | 162.1 | 64 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 618 | S | 30.9 | Very low | 46.9 | Very low | 108 Ų | 108 | 100.4 Ų | 100.4 | 76% | 0.755 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -152.4 | 17.8 | 168.4 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 619 | V | 33.8 | Very low | 50 | Low | 92 Ų | 92 | 92.3 Ų | 92.3 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | trans | -115 | -9.1 | -167.7 | -177.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 620 | E | 39.5 | Very low | 53.1 | Low | 183 Ų | 183 | 88.7 Ų | 88.7 | 86% | 0.855 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -88 | -6.6 | -162.2 | -78.6 | -168.6 | 155 | 0 | 0 | 119.4 | ||
| 621 | H | 50.3 | Low | 56.2 | Low | 128 Ų | 128 | 85.4 Ų | 85.4 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | trans | -130.4 | 49 | -174.4 | -62.6 | 0.9 | 0 | 0 | 0 | 114.7 | V624 | H621-V624 HydrophobicContact CB-CG2 4.27Š| ||
| 622 | Q | 59 | Low | 59.3 | Low | 98 Ų | 98 | 80.5 Ų | 80.5 | 46% | 0.458 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 126.5 | -179.8 | -67.1 | 172.7 | 6.1 | 0 | 0 | 112.1 | V624 | Q622-V624 VanDerWaalsContact C-N 3.28Å; Q622-V624 PolarHBondContact O-N 3.1Å |
| 623 | G | 72.5 | Confident | 62.3 | Low | 25 Ų | 25 | 74.7 Ų | 74.7 | 26% | 0.258 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -5.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H626 A627 E681 | G623-H626 PolarHBondContact O-N 3.47Å; G623-A627 WeakPolarHBondContact O-CB 3.43Å; G623-A627 PolarHBondContact O-N 3.41Å; G623-E681 WeakPolarHBondContact CA-OE1 3.47Å; G623-E681 PolarHBondContact N-OE1 3.37Å |
| 624 | V | 85.3 | Confident | 65.3 | Low | 38 Ų | 38 | 71.9 Ų | 71.9 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.3 | -40.6 | -168.8 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | H621 Q622 A627 H628 L653 E681 | H621-V624 HydrophobicContact CB-CG2 4.27Å; Q622-V624 VanDerWaalsContact C-N 3.28Å; Q622-V624 PolarHBondContact O-N 3.1Å; V624-A627 PolarHBondContact O-N 3.28Å; V624-H628 PolarHBondContact O-CD2 3.37Å; V624-H628 PolarHBondContact O-N 3.17Å; V624-L653 HydrophobicContact CB-CD1 4.47Å; V624-L653 HydrophobicContact CG1-CD1 3.85Å; V624-E681 PolarHBondContact N-OE1 3.46Å |
| 625 | L | 90.6 | Very high | 68.1 | Low | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 176.9 | 172.9 | 55.9 | 0 | 0 | 0 | 110.6 | A627 H628 L629 V650 L653 T654 L674 R677 L678 E681 | L625-A627 PolarHBondContact O-N 3.12Å; L625-H628 PolarHBondContact O-N 3.13Å; L625-L629 WeakPolarHBondContact O-CB 3.45Å; L625-L629 PolarHBondContact O-N 3.35Å; L625-V650 HydrophobicContact CD1-CG1 4.21Å; L625-L653 HydrophobicContact CB-CD1 4.34Å; L625-L653 HydrophobicContact CD1-CB 4.27Å; L625-T654 HydrophobicContact CD1-CG2 3.24Å; L625-T654 HydrophobicContact CD2-CG2 3.71Å; L625-T654 HydrophobicContact CG-CG2 4.11Å; L625-L674 HydrophobicContact CD1-CD1 4.2Å; L625-L674 HydrophobicContact CD2-CD1 4.23Å; L625-R677 HydrophobicContact CD2-CB 3.91Å; L625-R677 HydrophobicContact CD2-CG 3.71Å; L625-L678 HydrophobicContact CD2-CD2 3.91Å; L625-L678 HydrophobicContact CD2-CG 3.98Å; L625-L678 HydrophobicContact CG-CD2 3.86Å; L625-L678 HydrophobicContact CG-CG 4.42Å; L625-E681 WeakPolarHBondContact CB-OE2 3.19Å |
| 626 | H | 88.4 | Confident | 71 | Confident | 25 Ų | 25 | 59 Ų | 59 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 178.6 | -144.5 | 118.7 | 0 | 0 | 0 | 111.2 | L559 F562 G623 F630 E681 E682 | L559-H626 VanDerWaalsContact CD1-CD2 3.45Å; L559-H626 WeakPolarHBondContact CD1-CD2 3.24Å; L559-H626 WeakPolarHBondContact CD1-NE2 3.45Å; F562-H626 WeakPolarHBondContact CB-NE2 3.41Å; F562-H626 AromaticContact CD2-CE1 3.48Å; F562-H626 VanDerWaalsContact CD2-CE1 3.48Å; F562-H626 WeakPolarHBondContact CD2-CE1 3.43Å; F562-H626 AromaticContact CD2-NE2 3.58Å; F562-H626 AromaticContact CE2-CE1 3.91Å; F562-H626 AromaticContact CG-CE1 3.75Å; F562-H626 AromaticContact CG-NE2 3.67Å; G623-H626 PolarHBondContact O-N 3.47Å; H626-F630 VanDerWaalsContact O-CB 3.24Å; H626-F630 WeakPolarHBondContact O-CB 3.46Å; H626-F630 PolarHBondContact O-N 3.44Å; H626-E681 WeakPolarHBondContact CB-OE1 3.36Å; H626-E681 PolarHBondContact N-OE1 3.25Å; H626-E681 VanDerWaalsContact N-OE1 3.17Å; H626-E682 IonicContact CE1-OE1 3.84Å |
| 627 | A | 86.2 | Confident | 73.7 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 28% | 0.281 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G623 V624 L625 F630 S631 | G623-A627 WeakPolarHBondContact O-CB 3.43Å; G623-A627 PolarHBondContact O-N 3.41Å; V624-A627 PolarHBondContact O-N 3.28Å; L625-A627 PolarHBondContact O-N 3.12Å; A627-F630 PolarHBondContact O-N 3.04Å; A627-S631 PolarHBondContact O-N 2.86Å |
| 628 | H | 90.6 | Very high | 76.1 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 32% | 0.324 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 177.1 | -76.3 | -61.9 | 0 | 0 | 0 | 112.3 | V624 L625 S631 L632 V650 | V624-H628 PolarHBondContact O-CD2 3.37Å; V624-H628 PolarHBondContact O-N 3.17Å; L625-H628 PolarHBondContact O-N 3.13Å; H628-S631 PolarHBondContact O-N 3.27Å; H628-L632 WeakPolarHBondContact O-CB 3.29Å; H628-L632 PolarHBondContact O-N 3.02Å; H628-V650 HydrophobicContact CB-CG2 3.87Å |
| 629 | L | 92.1 | Very high | 78 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.6 | -170.1 | 62.4 | 0 | 0 | 0 | 111.2 | L546 F555 L559 L625 L632 F633 V650 L678 | L546-L629 HydrophobicContact CD2-CD1 3.68Å; F555-L629 HydrophobicContact CE1-CD2 4.3Å; F555-L629 HydrophobicContact CZ-CD2 4.2Å; L559-L629 HydrophobicContact CD1-CB 4.45Å; L559-L629 HydrophobicContact CD1-CD2 3.96Å; L559-L629 HydrophobicContact CD1-CG 4.25Å; L559-L629 HydrophobicContact CD2-CB 4.49Å; L559-L629 HydrophobicContact CD2-CD2 4.39Å; L559-L629 HydrophobicContact CD2-CG 3.98Å; L625-L629 WeakPolarHBondContact O-CB 3.45Å; L625-L629 PolarHBondContact O-N 3.35Å; L629-L632 PolarHBondContact O-N 3.43Å; L629-F633 HydrophobicContact CD1-CD1 3.99Å; L629-F633 HydrophobicContact CD1-CE1 3.57Å; L629-F633 HydrophobicContact CD1-CZ 4.11Å; L629-F633 HydrophobicContact CG-CD1 4.38Å; L629-F633 HydrophobicContact CG-CE1 4.21Å; L629-F633 HydrophobicContact CG-CZ 4.47Å; L629-F633 WeakPolarHBondContact O-CB 3.44Å; L629-F633 PolarHBondContact O-N 2.95Å; L629-V650 HydrophobicContact CD1-CG1 4.43Å; L629-L678 HydrophobicContact CD2-CD1 3.77Å; L629-L678 HydrophobicContact CD2-CD2 4.22Å |
| 630 | F | 90.1 | Very high | 79.2 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58 | -49.3 | 172.5 | 173 | -84.7 | 0 | 0 | 0 | 111.3 | L559 F560 H563 H626 A627 L632 F633 Q634 | L559-F630 HydrophobicContact CD2-CB 4.5Å; F560-F630 HydrophobicContact CB-CE2 4.39Å; F560-F630 AromaticContact CD1-CD2 3.57Å; F560-F630 HydrophobicContact CD1-CD2 3.57Å; F560-F630 AromaticContact CD1-CE2 3.44Å; F560-F630 HydrophobicContact CD1-CE2 3.44Å; F560-F630 VanDerWaalsContact CD1-CE2 3.44Å; F560-F630 HydrophobicContact CD1-CZ 4.35Å; F560-F630 HydrophobicContact CE1-CD2 4.17Å; F560-F630 HydrophobicContact CE1-CE2 4.15Å; F560-F630 HydrophobicContact CG-CE2 4.32Å; H563-F630 HydrophobicContact CB-CD2 3.76Å; H563-F630 HydrophobicContact CB-CE2 3.51Å; H563-F630 HydrophobicContact CB-CG 4.48Å; H563-F630 HydrophobicContact CB-CZ 4.05Å; H563-F630 AromaticContact CD2-CD1 3.5Å; H563-F630 VanDerWaalsContact CD2-CD1 3.5Å; H563-F630 WeakPolarHBondContact CD2-CD1 3.3Å; H563-F630 AromaticContact CD2-CD2 3.87Å; H563-F630 AromaticContact CD2-CE1 3.38Å; H563-F630 WeakPolarHBondContact CD2-CE1 3.43Å; H563-F630 AromaticContact CD2-CE2 3.75Å; H563-F630 AromaticContact CD2-CG 3.77Å; H563-F630 AromaticContact CD2-CZ 3.52Å; H563-F630 AromaticContact CG-CE2 3.82Å; H563-F630 AromaticContact CG-CZ 3.84Å; H563-F630 AromaticContact NE2-CE1 3.89Å; H626-F630 VanDerWaalsContact O-CB 3.24Å; H626-F630 WeakPolarHBondContact O-CB 3.46Å; H626-F630 PolarHBondContact O-N 3.44Å; A627-F630 PolarHBondContact O-N 3.04Å; F630-L632 VanDerWaalsContact C-N 3.34Å; F630-L632 PolarHBondContact O-N 2.76Å; F630-F633 PolarHBondContact O-N 3.42Å; F630-Q634 HydrophobicContact CE1-CB 4.43Å; F630-Q634 VanDerWaalsContact O-CB 3.29Å; F630-Q634 WeakPolarHBondContact O-CB 3.26Å; F630-Q634 PolarHBondContact O-N 3.44Å |
| 631 | S | 87.4 | Confident | 79.9 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 43% | 0.427 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 179.2 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | A627 H628 F633 Q634 S635 | A627-S631 PolarHBondContact O-N 2.86Å; H628-S631 PolarHBondContact O-N 3.27Å; S631-F633 PolarHBondContact O-N 3.45Å; S631-Q634 PolarHBondContact O-N 3.25Å; S631-S635 WeakPolarHBondContact O-CB 3.47Å; S631-S635 PolarHBondContact O-N 3.35Å |
| 632 | L | 90.8 | Very high | 80.2 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.9 | 179.5 | 64.8 | 0 | 0 | 0 | 111.3 | L546 H628 L629 F630 Q634 S635 L636 I647 V650 | L546-L632 HydrophobicContact CD1-CD2 3.93Å; L546-L632 HydrophobicContact CD2-CD2 4.25Å; H628-L632 WeakPolarHBondContact O-CB 3.29Å; H628-L632 PolarHBondContact O-N 3.02Å; L629-L632 PolarHBondContact O-N 3.43Å; F630-L632 VanDerWaalsContact C-N 3.34Å; F630-L632 PolarHBondContact O-N 2.76Å; L632-Q634 VanDerWaalsContact C-N 3.31Å; L632-Q634 PolarHBondContact O-N 3.44Å; L632-S635 WeakPolarHBondContact O-CB 3.45Å; L632-S635 PolarHBondContact O-N 2.96Å; L632-S635 VanDerWaalsContact O-N 3.14Å; L632-S635 PolarHBondContact O-OG 3.5Å; L632-L636 PolarHBondContact O-N 3.47Å; L632-L636 VanDerWaalsContact O-N 3.08Å; L632-I647 HydrophobicContact CD1-CG2 4.14Å; L632-I647 HydrophobicContact CD2-CG2 3.97Å; L632-V650 HydrophobicContact CD2-CG2 4.32Å |
| 633 | F | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -35.1 | -178.7 | -81.7 | 26.5 | 0 | 0 | 0 | 111.9 | L549 Y550 F555 R556 L559 F560 L629 F630 S631 L636 D637 | L549-F633 HydrophobicContact CB-CZ 3.97Å; Y550-F633 HydrophobicContact CD2-CB 4.16Å; Y550-F633 HydrophobicContact CD2-CD1 4.18Å; Y550-F633 AromaticContact CD2-CD2 3.91Å; Y550-F633 HydrophobicContact CD2-CD2 3.91Å; Y550-F633 HydrophobicContact CD2-CE2 4.33Å; Y550-F633 AromaticContact CD2-CG 3.83Å; Y550-F633 HydrophobicContact CD2-CG 3.83Å; F555-F633 AromaticContact CD1-CE2 3.97Å; F555-F633 HydrophobicContact CD1-CE2 3.97Å; F555-F633 AromaticContact CE1-CE2 3.86Å; F555-F633 HydrophobicContact CE1-CE2 3.86Å; F555-F633 HydrophobicContact CE1-CZ 4.2Å; R556-F633 HydrophobicContact CB-CD2 4.35Å; R556-F633 HydrophobicContact CG-CD2 4.16Å; L559-F633 HydrophobicContact CD2-CB 3.99Å; L559-F633 HydrophobicContact CD2-CD2 3.43Å; L559-F633 VanDerWaalsContact CD2-CD2 3.43Å; L559-F633 HydrophobicContact CD2-CE2 4.04Å; L559-F633 HydrophobicContact CD2-CG 3.77Å; F560-F633 HydrophobicContact CE1-CB 3.93Å; F560-F633 HydrophobicContact CZ-CB 4.05Å; L629-F633 HydrophobicContact CD1-CD1 3.99Å; L629-F633 HydrophobicContact CD1-CE1 3.57Å; L629-F633 HydrophobicContact CD1-CZ 4.11Å; L629-F633 HydrophobicContact CG-CD1 4.38Å; L629-F633 HydrophobicContact CG-CE1 4.21Å; L629-F633 HydrophobicContact CG-CZ 4.47Å; L629-F633 WeakPolarHBondContact O-CB 3.44Å; L629-F633 PolarHBondContact O-N 2.95Å; F630-F633 PolarHBondContact O-N 3.42Å; S631-F633 PolarHBondContact O-N 3.45Å; F633-L636 HydrophobicContact CD1-CD1 4.46Å; F633-L636 PolarHBondContact O-N 3.16Å; F633-D637 PolarHBondContact O-N 3.42Å |
| 634 | Q | 87 | Confident | 79.4 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 173.2 | -173.1 | 175.3 | 36.2 | 0 | 0 | 111.6 | F560 F630 S631 L632 L636 D637 T638 | F560-Q634 HydrophobicContact CE1-CB 4.35Å; F630-Q634 HydrophobicContact CE1-CB 4.43Å; F630-Q634 VanDerWaalsContact O-CB 3.29Å; F630-Q634 WeakPolarHBondContact O-CB 3.26Å; F630-Q634 PolarHBondContact O-N 3.44Å; S631-Q634 PolarHBondContact O-N 3.25Å; L632-Q634 VanDerWaalsContact C-N 3.31Å; L632-Q634 PolarHBondContact O-N 3.44Å; Q634-L636 VanDerWaalsContact C-N 3.32Å; Q634-L636 PolarHBondContact O-N 2.83Å; Q634-D637 PolarHBondContact O-N 3.28Å; Q634-T638 HydrophobicContact CG-CG2 4.43Å; Q634-T638 WeakPolarHBondContact O-CB 3.39Å; Q634-T638 WeakPolarHBondContact O-CG2 3.4Å; Q634-T638 PolarHBondContact O-N 3.49Å; Q634-T638 PolarHBondContact O-OG1 3.46Å |
| 635 | S | 85.7 | Confident | 78.6 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 176.6 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | S631 L632 H639 Q640 R645 | S631-S635 WeakPolarHBondContact O-CB 3.47Å; S631-S635 PolarHBondContact O-N 3.35Å; L632-S635 WeakPolarHBondContact O-CB 3.45Å; L632-S635 PolarHBondContact O-N 2.96Å; L632-S635 VanDerWaalsContact O-N 3.14Å; L632-S635 PolarHBondContact O-OG 3.5Å; S635-H639 PolarHBondContact O-N 3.1Å; S635-Q640 PolarHBondContact O-N 3.3Å; S635-Q640 VanDerWaalsContact O-N 3.17Å; S635-R645 WeakPolarHBondContact OG-CG 3.42Å |
| 636 | L | 87.3 | Confident | 77.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 173.5 | -69.4 | 170.5 | 0 | 0 | 0 | 111.3 | K531 I533 Y550 L632 F633 Q634 T638 H639 R645 | K531-L636 WeakPolarHBondContact O-CD2 3.5Å; I533-L636 HydrophobicContact CD1-CD1 4.4Å; I533-L636 HydrophobicContact CG1-CD2 4.18Å; Y550-L636 HydrophobicContact CD1-CD1 4.33Å; Y550-L636 HydrophobicContact CD2-CB 4.13Å; Y550-L636 HydrophobicContact CD2-CD1 3.89Å; Y550-L636 HydrophobicContact CE1-CB 4.29Å; Y550-L636 HydrophobicContact CE2-CB 3.68Å; Y550-L636 HydrophobicContact CE2-CD1 4.32Å; Y550-L636 HydrophobicContact CG-CD1 3.91Å; L632-L636 PolarHBondContact O-N 3.47Å; L632-L636 VanDerWaalsContact O-N 3.08Å; F633-L636 HydrophobicContact CD1-CD1 4.46Å; F633-L636 PolarHBondContact O-N 3.16Å; Q634-L636 VanDerWaalsContact C-N 3.32Å; Q634-L636 PolarHBondContact O-N 2.83Å; L636-T638 PolarHBondContact O-N 3.3Å; L636-H639 PolarHBondContact O-N 2.98Å; L636-H639 PolarHBondContact O-ND1 3.3Å; L636-R645 HydrophobicContact CD2-CG 4.4Å |
| 637 | D | 82.4 | Confident | 77.9 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.6 | -36 | 178.6 | -128.5 | 47 | 0 | 0 | 0 | 113.1 | Y550 R556 F560 F633 Q634 | Y550-D637 PolarHBondContact OH-OD1 3.18Å; R556-D637 IonicContact CZ-OD1 2.83Å; R556-D637 IonicContact NH1-OD1 3.73Å; R556-D637 PolarHBondContact NH1-OD1 3.06Å; F560-D637 HydrophobicContact CZ-CB 4.47Å; F633-D637 PolarHBondContact O-N 3.42Å; Q634-D637 PolarHBondContact O-N 3.28Å |
| 638 | T | 77.5 | Confident | 77.9 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 2.7 | -178 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | Q634 L636 Q640 | Q634-T638 HydrophobicContact CG-CG2 4.43Å; Q634-T638 WeakPolarHBondContact O-CB 3.39Å; Q634-T638 WeakPolarHBondContact O-CG2 3.4Å; Q634-T638 PolarHBondContact O-N 3.49Å; Q634-T638 PolarHBondContact O-OG1 3.46Å; L636-T638 PolarHBondContact O-N 3.3Å; T638-Q640 VanDerWaalsContact C-N 3.26Å; T638-Q640 PolarHBondContact O-N 3.02Å; T638-Q640 WeakPolarHBondContact OG1-CG 3.39Å; T638-Q640 PolarHBondContact OG1-NE2 3.24Å |
| 639 | H | 69.4 | Low | 77.7 | Confident | 91 Ų | 91 | 55 Ų | 55 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 36.7 | 178.8 | -50 | -41.9 | 0 | 0 | 0 | 114.4 | G529 K531 S635 L636 | G529-H639 PolarHBondContact O-CE1 2.92Å; G529-H639 PolarHBondContact O-ND1 3.44Å; G529-H639 PolarHBondContact O-NE2 3.48Å; K531-H639 HydrophobicContact CG-CB 4.41Å; S635-H639 PolarHBondContact O-N 3.1Å; L636-H639 PolarHBondContact O-N 2.98Å; L636-H639 PolarHBondContact O-ND1 3.3Å |
| 640 | Q | 60.5 | Low | 77.6 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | trans | -67.3 | 161.2 | -178.7 | -72.3 | 175.7 | 4.3 | 0 | 0 | 113 | S635 T638 V644 R645 | S635-Q640 PolarHBondContact O-N 3.3Å; S635-Q640 VanDerWaalsContact O-N 3.17Å; T638-Q640 VanDerWaalsContact C-N 3.26Å; T638-Q640 PolarHBondContact O-N 3.02Å; T638-Q640 WeakPolarHBondContact OG1-CG 3.39Å; T638-Q640 PolarHBondContact OG1-NE2 3.24Å; Q640-V644 HydrophobicContact CB-CB 4.24Å; Q640-V644 HydrophobicContact CB-CG2 4.44Å; Q640-V644 VanDerWaalsContact OE1-CG1 3.22Å; Q640-R645 PolarHBondContact O-NE 2.6Å; Q640-R645 PolarHBondContact O-NH2 3.25Å | ||
| 641 | L | 54.4 | Low | 77.5 | Confident | 135 Ų | 135 | 54.7 Ų | 54.7 | 71% | 0.707 | 29% | 0.291 | S | S | * | . | trans | -56.8 | 151.7 | -178.8 | -79 | 153.6 | 0 | 0 | 0 | 112.1 | N643 V644 | L641-N643 PolarHBondContact O-N 3.05Å; L641-N643 VanDerWaalsContact O-N 3.11Å; L641-V644 PolarHBondContact O-N 3.24Å | ||
| 642 | P | 55.4 | Low | 77.5 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -53.4 | -36.2 | -173.5 | -23.6 | 30.7 | 0 | 0 | 0 | 114.6 | V644 R645 | P642-V644 PolarHBondContact O-N 2.97Å; P642-V644 VanDerWaalsContact O-N 3.09Å; P642-R645 PolarHBondContact O-N 2.81Å |
| 643 | N | 55.5 | Low | 77.4 | Confident | 145 Ų | 145 | 59.2 Ų | 59.2 | 78% | 0.775 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -62.4 | -18.5 | -179.9 | -65.7 | -2.2 | 0 | 0 | 0 | 113.6 | L641 | L641-N643 PolarHBondContact O-N 3.05Å; L641-N643 VanDerWaalsContact O-N 3.11Å |
| 644 | V | 60.2 | Low | 77.3 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -92 | -12.8 | 177.6 | -161.1 | 0 | 0 | 0 | 0 | 111.8 | Q640 L641 P642 D646 | Q640-V644 HydrophobicContact CB-CB 4.24Å; Q640-V644 HydrophobicContact CB-CG2 4.44Å; Q640-V644 VanDerWaalsContact OE1-CG1 3.22Å; L641-V644 PolarHBondContact O-N 3.24Å; P642-V644 PolarHBondContact O-N 2.97Å; P642-V644 VanDerWaalsContact O-N 3.09Å; V644-D646 VanDerWaalsContact C-N 3.26Å; V644-D646 PolarHBondContact O-N 3.36Å |
| 645 | R | 67.4 | Low | 77.3 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | trans | -92.8 | 30.7 | 176.9 | -69.1 | 177.6 | -90 | 141 | -2.5 | 112 | G532 S635 L636 Q640 P642 I647 | G532-R645 WeakPolarHBondContact O-CD 3.44Å; G532-R645 PolarHBondContact O-NH1 3.24Å; S635-R645 WeakPolarHBondContact OG-CG 3.42Å; L636-R645 HydrophobicContact CD2-CG 4.4Å; Q640-R645 PolarHBondContact O-NE 2.6Å; Q640-R645 PolarHBondContact O-NH2 3.25Å; P642-R645 PolarHBondContact O-N 2.81Å; R645-I647 PolarHBondContact O-N 3.31Å | ||
| 646 | D | 76.7 | Confident | 77.4 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | trans | -74 | 118.1 | 178.7 | -175.3 | 6 | 0 | 0 | 0 | 111 | V644 R648 | V644-D646 VanDerWaalsContact C-N 3.26Å; V644-D646 PolarHBondContact O-N 3.36Å; D646-R648 VanDerWaalsContact CG-NH1 3.27Å; D646-R648 WeakPolarHBondContact OD1-CB 3.41Å; D646-R648 WeakPolarHBondContact OD1-CG 3.25Å; D646-R648 IonicContact OD1-CZ 3.81Å; D646-R648 PolarHBondContact OD1-N 3.44Å; D646-R648 IonicContact OD1-NE 3.93Å; D646-R648 IonicContact OD1-NH1 3.41Å; D646-R648 PolarHBondContact OD1-NH1 3.4Å; D646-R648 IonicContact OD2-CZ 3.7Å; D646-R648 IonicContact OD2-NH1 2.67Å; D646-R648 PolarHBondContact OD2-NH1 3.16Å | ||
| 647 | I | 88.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | trans | -85.4 | -9.2 | -179.9 | 60.1 | -177.4 | 0 | 0 | 0 | 113.9 | I533 V536 N543 L546 L632 R645 A649 V650 L651 | I533-I647 HydrophobicContact CG2-CD1 4.2Å; I533-I647 HydrophobicContact CG2-CG2 3.29Å; V536-I647 HydrophobicContact CG2-CD1 4.15Å; V536-I647 HydrophobicContact CG2-CG1 4.06Å; N543-I647 WeakPolarHBondContact OD1-CD1 2.91Å; L546-I647 HydrophobicContact CD1-CB 4.35Å; L546-I647 HydrophobicContact CD1-CG2 3.83Å; L632-I647 HydrophobicContact CD1-CG2 4.14Å; L632-I647 HydrophobicContact CD2-CG2 3.97Å; R645-I647 PolarHBondContact O-N 3.31Å; I647-A649 PolarHBondContact O-N 3.27Å; I647-A649 VanDerWaalsContact O-N 3.09Å; I647-V650 PolarHBondContact O-N 2.99Å; I647-L651 HydrophobicContact CB-CD1 4.14Å; I647-L651 HydrophobicContact CD1-CD1 3.3Å; I647-L651 HydrophobicContact CG1-CD1 3.49Å; I647-L651 VanDerWaalsContact CG1-CD1 3.49Å; I647-L651 WeakPolarHBondContact O-CB 3.06Å; I647-L651 PolarHBondContact O-N 2.87Å | ||
| 648 | R | 86.3 | Confident | 77.6 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.4 | -36.4 | -171.5 | -75.1 | 177.4 | -156.6 | 109.8 | -0.8 | 113.2 | V536 D646 T652 | V536-R648 HydrophobicContact CG2-CG 4.18Å; D646-R648 VanDerWaalsContact CG-NH1 3.27Å; D646-R648 WeakPolarHBondContact OD1-CB 3.41Å; D646-R648 WeakPolarHBondContact OD1-CG 3.25Å; D646-R648 IonicContact OD1-CZ 3.81Å; D646-R648 PolarHBondContact OD1-N 3.44Å; D646-R648 IonicContact OD1-NE 3.93Å; D646-R648 IonicContact OD1-NH1 3.41Å; D646-R648 PolarHBondContact OD1-NH1 3.4Å; D646-R648 IonicContact OD2-CZ 3.7Å; D646-R648 IonicContact OD2-NH1 2.67Å; D646-R648 PolarHBondContact OD2-NH1 3.16Å; R648-T652 VanDerWaalsContact O-CB 3.32Å; R648-T652 WeakPolarHBondContact O-CB 3.5Å; R648-T652 PolarHBondContact O-N 3Å; R648-T652 PolarHBondContact O-OG1 3.03Å |
| 649 | A | 85.7 | Confident | 78.1 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | I647 T652 L653 | I647-A649 PolarHBondContact O-N 3.27Å; I647-A649 VanDerWaalsContact O-N 3.09Å; A649-T652 PolarHBondContact O-N 3.46Å; A649-L653 WeakPolarHBondContact O-CG 3.33Å; A649-L653 PolarHBondContact O-N 3.5Å |
| 650 | V | 90.1 | Very high | 78.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | L546 L625 H628 L629 L632 I647 T652 L653 T654 | L546-V650 HydrophobicContact CD2-CG1 4.28Å; L625-V650 HydrophobicContact CD1-CG1 4.21Å; H628-V650 HydrophobicContact CB-CG2 3.87Å; L629-V650 HydrophobicContact CD1-CG1 4.43Å; L632-V650 HydrophobicContact CD2-CG2 4.32Å; I647-V650 PolarHBondContact O-N 2.99Å; V650-T652 VanDerWaalsContact C-N 3.32Å; V650-T652 PolarHBondContact O-N 3.06Å; V650-L653 PolarHBondContact O-N 3.4Å; V650-T654 HydrophobicContact CG1-CG2 4.16Å; V650-T654 WeakPolarHBondContact O-CB 3.36Å; V650-T654 VanDerWaalsContact O-CG2 3.29Å; V650-T654 WeakPolarHBondContact O-CG2 3.32Å; V650-T654 PolarHBondContact O-N 2.92Å; V650-T654 PolarHBondContact O-OG1 3.08Å |
| 651 | L | 88.9 | Confident | 79.8 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57 | -42.8 | 179 | -114 | 141.3 | 0 | 0 | 0 | 112.5 | T539 Y541 A542 I647 L653 T654 K655 | T539-L651 HydrophobicContact CG2-CD1 3.97Å; Y541-L651 WeakPolarHBondContact OH-CD2 3.46Å; A542-L651 HydrophobicContact CB-CD1 3.94Å; A542-L651 HydrophobicContact CB-CG 4.24Å; I647-L651 HydrophobicContact CB-CD1 4.14Å; I647-L651 HydrophobicContact CD1-CD1 3.3Å; I647-L651 HydrophobicContact CG1-CD1 3.49Å; I647-L651 VanDerWaalsContact CG1-CD1 3.49Å; I647-L651 WeakPolarHBondContact O-CB 3.06Å; I647-L651 PolarHBondContact O-N 2.87Å; L651-L653 PolarHBondContact O-N 3.04Å; L651-T654 PolarHBondContact O-N 3.2Å; L651-K655 WeakPolarHBondContact O-CB 3.45Å; L651-K655 PolarHBondContact O-N 3.34Å; L651-K655 VanDerWaalsContact O-N 3.07Å |
| 652 | T | 87.4 | Confident | 81.1 | Confident | 112 Ų | 112 | 57.2 Ų | 57.2 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.6 | -33.7 | 179.2 | -59 | 0 | 0 | 0 | 0 | 111.8 | R648 A649 V650 | R648-T652 VanDerWaalsContact O-CB 3.32Å; R648-T652 WeakPolarHBondContact O-CB 3.5Å; R648-T652 PolarHBondContact O-N 3Å; R648-T652 PolarHBondContact O-OG1 3.03Å; A649-T652 PolarHBondContact O-N 3.46Å; V650-T652 VanDerWaalsContact C-N 3.32Å; V650-T652 PolarHBondContact O-N 3.06Å |
| 653 | L | 88.5 | Confident | 82.5 | Confident | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -85.2 | -20.1 | 179.8 | -64.6 | 170.1 | 0 | 0 | 0 | 113.5 | V624 L625 A649 V650 L651 | V624-L653 HydrophobicContact CB-CD1 4.47Å; V624-L653 HydrophobicContact CG1-CD1 3.85Å; L625-L653 HydrophobicContact CB-CD1 4.34Å; L625-L653 HydrophobicContact CD1-CB 4.27Å; A649-L653 WeakPolarHBondContact O-CG 3.33Å; A649-L653 PolarHBondContact O-N 3.5Å; V650-L653 PolarHBondContact O-N 3.4Å; L651-L653 PolarHBondContact O-N 3.04Å |
| 654 | T | 89.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -123.3 | 22.8 | -170 | 73 | 0 | 0 | 0 | 0 | 112.3 | L625 V650 L651 P656 Y670 Y673 L674 | L625-T654 HydrophobicContact CD1-CG2 3.24Å; L625-T654 HydrophobicContact CD2-CG2 3.71Å; L625-T654 HydrophobicContact CG-CG2 4.11Å; V650-T654 HydrophobicContact CG1-CG2 4.16Å; V650-T654 WeakPolarHBondContact O-CB 3.36Å; V650-T654 VanDerWaalsContact O-CG2 3.29Å; V650-T654 WeakPolarHBondContact O-CG2 3.32Å; V650-T654 PolarHBondContact O-N 2.92Å; V650-T654 PolarHBondContact O-OG1 3.08Å; L651-T654 PolarHBondContact O-N 3.2Å; T654-P656 WeakPolarHBondContact O-CD 2.99Å; T654-Y670 WeakPolarHBondContact O-CD2 3.4Å; T654-Y670 VanDerWaalsContact O-CE2 3.28Å; T654-Y670 WeakPolarHBondContact O-CE2 3.12Å; T654-Y670 WeakPolarHBondContact OG1-CE2 3.46Å; T654-Y670 PolarHBondContact OG1-OH 3.21Å; T654-Y673 WeakPolarHBondContact O-CD1 3.5Å; T654-L674 HydrophobicContact CG2-CD1 3.39Å |
| 655 | K | 85.4 | Confident | 85.4 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | trans | -95.9 | 115.4 | 177.5 | 177.2 | -174.1 | 172.2 | -163.7 | 0 | 109.3 | L651 F659 S661 | L651-K655 WeakPolarHBondContact O-CB 3.45Å; L651-K655 PolarHBondContact O-N 3.34Å; L651-K655 VanDerWaalsContact O-N 3.07Å; K655-F659 HydrophobicContact CD-CB 4.28Å; K655-F659 WeakPolarHBondContact CE-O 3.28Å; K655-F659 HydrophobicContact CG-CB 3.64Å; K655-F659 HydrophobicContact CG-CD2 4.4Å; K655-F659 HydrophobicContact CG-CG 4.41Å; K655-F659 PolarHBondContact NZ-O 2.88Å; K655-S661 PolarHBondContact NZ-OG 3.45Å | ||
| 656 | P | 88.7 | Confident | 86.7 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | trans | -52 | 147 | 170.1 | -25.3 | 32 | 0 | 0 | 0 | 112.3 | T654 H658 F659 Y673 | T654-P656 WeakPolarHBondContact O-CD 2.99Å; P656-H658 VanDerWaalsContact CB-CE1 3.4Å; P656-H658 WeakPolarHBondContact CB-CE1 3.32Å; P656-H658 PolarHBondContact O-N 3.08Å; P656-H658 VanDerWaalsContact O-N 3.15Å; P656-F659 HydrophobicContact CB-CD1 3.8Å; P656-F659 HydrophobicContact CB-CE1 4.08Å; P656-F659 HydrophobicContact CB-CG 4.15Å; P656-F659 HydrophobicContact CG-CD1 3.9Å; P656-F659 HydrophobicContact CG-CD2 4.18Å; P656-F659 HydrophobicContact CG-CE1 3.8Å; P656-F659 HydrophobicContact CG-CE2 4.08Å; P656-F659 HydrophobicContact CG-CG 4.11Å; P656-F659 HydrophobicContact CG-CZ 3.89Å; P656-F659 WeakPolarHBondContact O-CB 3.5Å; P656-F659 PolarHBondContact O-N 3.33Å; P656-Y673 HydrophobicContact CB-CD2 4.31Å; P656-Y673 HydrophobicContact CB-CE2 4.5Å; P656-Y673 HydrophobicContact CB-CG 4.48Å; P656-Y673 HydrophobicContact CG-CD1 4.05Å; P656-Y673 HydrophobicContact CG-CD2 3.96Å; P656-Y673 HydrophobicContact CG-CG 3.69Å | ||
| 657 | A | 86.8 | Confident | 87.6 | Confident | 107 Ų | 107 | 50 Ų | 50 | 88% | 0.884 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 658 | H | 86.8 | Confident | 87.9 | Confident | 113 Ų | 113 | 50 Ų | 50 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.3 | 178.2 | 61.5 | -75.4 | 0 | 0 | 0 | 114 | P656 E669 | P656-H658 VanDerWaalsContact CB-CE1 3.4Å; P656-H658 WeakPolarHBondContact CB-CE1 3.32Å; P656-H658 PolarHBondContact O-N 3.08Å; P656-H658 VanDerWaalsContact O-N 3.15Å; H658-E669 IonicContact CE1-OE1 3.83Å; H658-E669 PolarHBondContact CE1-OE1 3.38Å; H658-E669 VanDerWaalsContact NE2-CD 3.26Å; H658-E669 IonicContact NE2-OE1 3.15Å; H658-E669 PolarHBondContact NE2-OE1 3.3Å; H658-E669 IonicContact NE2-OE2 3.67Å; H658-E669 PolarHBondContact NE2-OE2 2.95Å |
| 659 | F | 88.6 | Confident | 88.3 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 139.4 | 175.2 | -80.5 | 22.3 | 0 | 0 | 0 | 109.9 | Y541 K655 P656 Q665 E669 Y670 | Y541-F659 HydrophobicContact CD2-CE2 4.44Å; Y541-F659 HydrophobicContact CE2-CD2 4.19Å; Y541-F659 AromaticContact CE2-CE2 3.79Å; Y541-F659 HydrophobicContact CE2-CE2 3.79Å; K655-F659 HydrophobicContact CD-CB 4.28Å; K655-F659 WeakPolarHBondContact CE-O 3.28Å; K655-F659 HydrophobicContact CG-CB 3.64Å; K655-F659 HydrophobicContact CG-CD2 4.4Å; K655-F659 HydrophobicContact CG-CG 4.41Å; K655-F659 PolarHBondContact NZ-O 2.88Å; P656-F659 HydrophobicContact CB-CD1 3.8Å; P656-F659 HydrophobicContact CB-CE1 4.08Å; P656-F659 HydrophobicContact CB-CG 4.15Å; P656-F659 HydrophobicContact CG-CD1 3.9Å; P656-F659 HydrophobicContact CG-CD2 4.18Å; P656-F659 HydrophobicContact CG-CE1 3.8Å; P656-F659 HydrophobicContact CG-CE2 4.08Å; P656-F659 HydrophobicContact CG-CG 4.11Å; P656-F659 HydrophobicContact CG-CZ 3.89Å; P656-F659 WeakPolarHBondContact O-CB 3.5Å; P656-F659 PolarHBondContact O-N 3.33Å; F659-Q665 HydrophobicContact CB-CG 4.29Å; F659-Q665 HydrophobicContact CD1-CG 4.34Å; F659-Q665 HydrophobicContact CD2-CB 3.75Å; F659-Q665 HydrophobicContact CD2-CG 3.52Å; F659-Q665 HydrophobicContact CE1-CB 4.26Å; F659-Q665 HydrophobicContact CE2-CB 3.43Å; F659-Q665 VanDerWaalsContact CE2-CB 3.43Å; F659-Q665 HydrophobicContact CE2-CG 3.8Å; F659-Q665 HydrophobicContact CG-CB 4.29Å; F659-Q665 HydrophobicContact CG-CG 3.82Å; F659-Q665 HydrophobicContact CZ-CB 3.72Å; F659-Q665 HydrophobicContact CZ-CG 4.32Å; F659-E669 HydrophobicContact CE1-CG 4.06Å; F659-E669 WeakPolarHBondContact CE1-OE2 3.31Å; F659-E669 HydrophobicContact CZ-CB 4.2Å; F659-E669 HydrophobicContact CZ-CG 4.06Å; F659-Y670 HydrophobicContact CE2-CD2 4.37Å |
| 660 | V | 83.8 | Confident | 88.8 | Confident | 72 Ų | 72 | 45.3 Ų | 45.3 | 44% | 0.436 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 129.9 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | G662 E663 Q665 | V660-G662 PolarHBondContact O-N 2.93Å; V660-E663 HydrophobicContact CB-CB 4.22Å; V660-E663 HydrophobicContact CB-CG 3.99Å; V660-E663 WeakPolarHBondContact CB-OE2 3.27Å; V660-E663 HydrophobicContact CG1-CG 3.91Å; V660-E663 PolarHBondContact O-N 2.98Å; V660-Q665 VanDerWaalsContact N-NE2 3.14Å; V660-Q665 PolarHBondContact O-NE2 3.2Å |
| 661 | S | 82.2 | Confident | 89.1 | Confident | 97 Ų | 97 | 45.2 Ų | 45.2 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 132.4 | -179.8 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | K655 E663 | K655-S661 PolarHBondContact NZ-OG 3.45Å; S661-E663 VanDerWaalsContact C-N 3.31Å |
| 662 | G | 81.9 | Confident | 89.3 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -1.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N538 V660 | N538-G662 PolarHBondContact ND2-O 2.86Å; V660-G662 PolarHBondContact O-N 2.93Å |
| 663 | E | 84.1 | Confident | 89.7 | Confident | 107 Ų | 107 | 44.4 Ų | 44.4 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -97.6 | 153.8 | 170.5 | -65.6 | -169.1 | 166.6 | 0 | 0 | 111.2 | V660 S661 | V660-E663 HydrophobicContact CB-CB 4.22Å; V660-E663 HydrophobicContact CB-CG 3.99Å; V660-E663 WeakPolarHBondContact CB-OE2 3.27Å; V660-E663 HydrophobicContact CG1-CG 3.91Å; V660-E663 PolarHBondContact O-N 2.98Å; S661-E663 VanDerWaalsContact C-N 3.31Å |
| 664 | Q | 85.6 | Confident | 90 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | trans | -65 | 144.2 | 167.9 | -76 | -70.2 | -20 | 0 | 0 | 110.2 | N538 C540 G954 | N538-Q664 HydrophobicContact CB-CG 4.12Å; N538-Q664 PolarHBondContact OD1-NE2 2.91Å; C540-Q664 PolarHBondContact SG-NE2 2.63Å; C540-Q664 PolarHBondContact SG-OE1 2.91Å; C540-Q664 VanDerWaalsContact SG-OE1 3.36Å; Q664-G954 PolarHBondContact NE2-O 2.92Å | ||
| 665 | Q | 91.8 | Very high | 90.3 | Very high | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | trans | -138.4 | 166.3 | -177.4 | -55.6 | -64.2 | -22.1 | 0 | 0 | 110.6 | Y541 F659 V660 A667 Y956 | Y541-Q665 VanDerWaalsContact CB-O 3.3Å; Y541-Q665 WeakPolarHBondContact CB-O 3.15Å; Y541-Q665 HydrophobicContact CD1-CB 3.92Å; Y541-Q665 HydrophobicContact CD1-CG 4.38Å; Y541-Q665 HydrophobicContact CD2-CB 4.05Å; Y541-Q665 HydrophobicContact CE1-CB 3.81Å; Y541-Q665 HydrophobicContact CE1-CG 3.81Å; Y541-Q665 HydrophobicContact CE2-CB 3.97Å; Y541-Q665 HydrophobicContact CE2-CG 4.42Å; Y541-Q665 HydrophobicContact CG-CB 4.05Å; F659-Q665 HydrophobicContact CB-CG 4.29Å; F659-Q665 HydrophobicContact CD1-CG 4.34Å; F659-Q665 HydrophobicContact CD2-CB 3.75Å; F659-Q665 HydrophobicContact CD2-CG 3.52Å; F659-Q665 HydrophobicContact CE1-CB 4.26Å; F659-Q665 HydrophobicContact CE2-CB 3.43Å; F659-Q665 VanDerWaalsContact CE2-CB 3.43Å; F659-Q665 HydrophobicContact CE2-CG 3.8Å; F659-Q665 HydrophobicContact CG-CB 4.29Å; F659-Q665 HydrophobicContact CG-CG 3.82Å; F659-Q665 HydrophobicContact CZ-CB 3.72Å; F659-Q665 HydrophobicContact CZ-CG 4.32Å; V660-Q665 VanDerWaalsContact N-NE2 3.14Å; V660-Q665 PolarHBondContact O-NE2 3.2Å; Q665-A667 PolarHBondContact O-N 3.2Å; Q665-Y956 WeakPolarHBondContact O-CE2 3.47Å | ||
| 666 | D | 93.8 | Very high | 90.6 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | trans | -71.9 | 118.4 | 176.8 | -175.5 | -44.6 | 0 | 0 | 0 | 111 | A668 E669 Y670 V951 Y991 | D666-A668 PolarHBondContact O-N 2.92Å; D666-A668 WeakPolarHBondContact OD1-CA 3.49Å; D666-A668 WeakPolarHBondContact OD1-CB 3.28Å; D666-A668 PolarHBondContact OD1-N 2.9Å; D666-E669 HydrophobicContact CB-CB 3.84Å; D666-E669 PolarHBondContact O-N 3.3Å; D666-E669 PolarHBondContact OD1-N 2.9Å; D666-Y670 PolarHBondContact O-N 3.5Å; D666-V951 HydrophobicContact CB-CG2 3.93Å; D666-Y991 PolarHBondContact OD1-OH 3.32Å; D666-Y991 PolarHBondContact OD2-OH 3.43Å | ||
| 667 | A | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.8 | -33 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q665 L671 I944 Y956 Y991 | Q665-A667 PolarHBondContact O-N 3.2Å; A667-L671 WeakPolarHBondContact O-CB 3.26Å; A667-L671 PolarHBondContact O-N 3.2Å; A667-I944 HydrophobicContact CB-CD1 4.46Å; A667-Y956 HydrophobicContact CB-CD1 3.75Å; A667-Y956 HydrophobicContact CB-CE1 3.65Å; A667-Y956 HydrophobicContact CB-CE2 4.48Å; A667-Y956 HydrophobicContact CB-CG 4.2Å; A667-Y991 HydrophobicContact CB-CE1 4.25Å |
| 668 | A | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.6 | -37.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D666 L671 N672 C879 Y991 L992 | D666-A668 PolarHBondContact O-N 2.92Å; D666-A668 WeakPolarHBondContact OD1-CA 3.49Å; D666-A668 WeakPolarHBondContact OD1-CB 3.28Å; D666-A668 PolarHBondContact OD1-N 2.9Å; A668-L671 PolarHBondContact O-N 3.3Å; A668-N672 PolarHBondContact O-N 2.75Å; A668-N672 PolarHBondContact O-ND2 3.16Å; A668-C879 HydrophobicContact CB-CB 4.46Å; A668-Y991 HydrophobicContact CB-CE1 3.91Å; A668-Y991 WeakPolarHBondContact CB-OH 3.36Å; A668-L992 HydrophobicContact CB-CD1 4.36Å |
| 669 | E | 94.4 | Very high | 91.3 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 172.8 | -175.4 | 169.8 | -157.8 | 0 | 0 | 111.1 | H658 F659 D666 L671 N672 Y673 | H658-E669 IonicContact CE1-OE1 3.83Å; H658-E669 PolarHBondContact CE1-OE1 3.38Å; H658-E669 VanDerWaalsContact NE2-CD 3.26Å; H658-E669 IonicContact NE2-OE1 3.15Å; H658-E669 PolarHBondContact NE2-OE1 3.3Å; H658-E669 IonicContact NE2-OE2 3.67Å; H658-E669 PolarHBondContact NE2-OE2 2.95Å; F659-E669 HydrophobicContact CE1-CG 4.06Å; F659-E669 WeakPolarHBondContact CE1-OE2 3.31Å; F659-E669 HydrophobicContact CZ-CB 4.2Å; F659-E669 HydrophobicContact CZ-CG 4.06Å; D666-E669 HydrophobicContact CB-CB 3.84Å; D666-E669 PolarHBondContact O-N 3.3Å; D666-E669 PolarHBondContact OD1-N 2.9Å; E669-L671 PolarHBondContact O-N 3.44Å; E669-N672 PolarHBondContact O-N 3.33Å; E669-Y673 WeakPolarHBondContact O-CB 3.45Å; E669-Y673 PolarHBondContact O-N 3.02Å |
| 670 | Y | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 174.6 | 175.8 | -103.1 | 0 | 0 | 0 | 112.3 | Y541 A542 A545 L546 T654 F659 D666 N672 Y673 L674 | Y541-Y670 HydrophobicContact CD2-CD1 4.38Å; Y541-Y670 HydrophobicContact CD2-CD2 4.36Å; Y541-Y670 AromaticContact CD2-CG 3.92Å; Y541-Y670 HydrophobicContact CD2-CG 3.92Å; Y541-Y670 HydrophobicContact CE2-CD1 4.47Å; Y541-Y670 AromaticContact CE2-CD2 3.74Å; Y541-Y670 HydrophobicContact CE2-CD2 3.74Å; Y541-Y670 HydrophobicContact CE2-CE2 4.4Å; Y541-Y670 AromaticContact CE2-CG 3.77Å; Y541-Y670 HydrophobicContact CE2-CG 3.77Å; A542-Y670 HydrophobicContact CB-CD1 4.09Å; A542-Y670 HydrophobicContact CB-CE1 3.65Å; A542-Y670 HydrophobicContact CB-CE2 4.21Å; A545-Y670 HydrophobicContact CB-CD1 3.71Å; A545-Y670 HydrophobicContact CB-CE1 4.06Å; L546-Y670 HydrophobicContact CG-CE1 4.5Å; T654-Y670 WeakPolarHBondContact O-CD2 3.4Å; T654-Y670 VanDerWaalsContact O-CE2 3.28Å; T654-Y670 WeakPolarHBondContact O-CE2 3.12Å; T654-Y670 WeakPolarHBondContact OG1-CE2 3.46Å; T654-Y670 PolarHBondContact OG1-OH 3.21Å; F659-Y670 HydrophobicContact CE2-CD2 4.37Å; D666-Y670 PolarHBondContact O-N 3.5Å; Y670-N672 PolarHBondContact O-N 3.48Å; Y670-Y673 PolarHBondContact O-N 3.29Å; Y670-L674 HydrophobicContact CE1-CD2 4.4Å; Y670-L674 WeakPolarHBondContact O-CB 3.32Å; Y670-L674 PolarHBondContact O-N 2.88Å |
| 671 | L | 96.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | -178.3 | -179 | 66 | 0 | 0 | 0 | 111.8 | A545 L548 L549 A667 A668 E669 Y673 L674 L675 L877 L992 | A545-L671 HydrophobicContact CB-CB 4.15Å; A545-L671 HydrophobicContact CB-CD1 4.23Å; L548-L671 HydrophobicContact CD2-CD2 3.93Å; L549-L671 HydrophobicContact CD1-CD1 3.43Å; L549-L671 VanDerWaalsContact CD1-CD1 3.43Å; L549-L671 HydrophobicContact CD2-CD1 3.96Å; L549-L671 HydrophobicContact CG-CD1 3.53Å; A667-L671 WeakPolarHBondContact O-CB 3.26Å; A667-L671 PolarHBondContact O-N 3.2Å; A668-L671 PolarHBondContact O-N 3.3Å; E669-L671 PolarHBondContact O-N 3.44Å; L671-Y673 VanDerWaalsContact C-N 3.35Å; L671-L674 PolarHBondContact O-N 3.45Å; L671-L675 HydrophobicContact CD1-CD1 4.33Å; L671-L675 HydrophobicContact CD1-CG 4.35Å; L671-L675 HydrophobicContact CG-CD1 4.09Å; L671-L675 HydrophobicContact CG-CG 4.47Å; L671-L675 WeakPolarHBondContact O-CG 3.42Å; L671-L675 PolarHBondContact O-N 3.12Å; L671-L877 HydrophobicContact CD2-CD1 4.06Å; L671-L877 HydrophobicContact CD2-CD2 4.14Å; L671-L992 HydrophobicContact CB-CD2 4.44Å; L671-L992 HydrophobicContact CD2-CD2 3.43Å; L671-L992 VanDerWaalsContact CD2-CD2 3.43Å |
| 672 | N | 94.4 | Very high | 91.9 | Very high | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 179.1 | -78 | -66.2 | 0 | 0 | 0 | 111 | A668 E669 Y670 L674 L675 D676 C786 Y788 | A668-N672 PolarHBondContact O-N 2.75Å; A668-N672 PolarHBondContact O-ND2 3.16Å; E669-N672 PolarHBondContact O-N 3.33Å; Y670-N672 PolarHBondContact O-N 3.48Å; N672-L674 VanDerWaalsContact C-N 3.34Å; N672-L674 PolarHBondContact O-N 3.41Å; N672-L675 PolarHBondContact O-N 3.1Å; N672-D676 WeakPolarHBondContact O-CB 3.48Å; N672-D676 PolarHBondContact O-N 3.44Å; N672-C786 WeakPolarHBondContact OD1-CB 3.41Å; N672-Y788 PolarHBondContact ND2-OH 3.5Å |
| 673 | Y | 94.8 | Very high | 92.2 | Very high | 92 Ų | 92 | 37.2 Ų | 37.2 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.5 | -170.5 | -92.8 | 0 | 0 | 0 | 112.6 | T654 P656 E669 Y670 L671 R677 | T654-Y673 WeakPolarHBondContact O-CD1 3.5Å; P656-Y673 HydrophobicContact CB-CD2 4.31Å; P656-Y673 HydrophobicContact CB-CE2 4.5Å; P656-Y673 HydrophobicContact CB-CG 4.48Å; P656-Y673 HydrophobicContact CG-CD1 4.05Å; P656-Y673 HydrophobicContact CG-CD2 3.96Å; P656-Y673 HydrophobicContact CG-CG 3.69Å; E669-Y673 WeakPolarHBondContact O-CB 3.45Å; E669-Y673 PolarHBondContact O-N 3.02Å; Y670-Y673 PolarHBondContact O-N 3.29Å; L671-Y673 VanDerWaalsContact C-N 3.35Å; Y673-R677 WeakPolarHBondContact O-CB 3.41Å; Y673-R677 PolarHBondContact O-N 3.18Å |
| 674 | L | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 173.9 | 167.4 | 63.1 | 0 | 0 | 0 | 111.6 | L546 L549 L625 T654 Y670 L671 N672 R677 L678 | L546-L674 HydrophobicContact CD2-CD2 4Å; L549-L674 HydrophobicContact CD1-CD2 3.59Å; L549-L674 HydrophobicContact CD1-CG 4.4Å; L625-L674 HydrophobicContact CD1-CD1 4.2Å; L625-L674 HydrophobicContact CD2-CD1 4.23Å; T654-L674 HydrophobicContact CG2-CD1 3.39Å; Y670-L674 HydrophobicContact CE1-CD2 4.4Å; Y670-L674 WeakPolarHBondContact O-CB 3.32Å; Y670-L674 PolarHBondContact O-N 2.88Å; L671-L674 PolarHBondContact O-N 3.45Å; N672-L674 VanDerWaalsContact C-N 3.34Å; N672-L674 PolarHBondContact O-N 3.41Å; L674-R677 PolarHBondContact O-N 3.42Å; L674-L678 HydrophobicContact CD1-CD1 3.96Å; L674-L678 HydrophobicContact CD1-CG 4.24Å; L674-L678 HydrophobicContact CG-CD1 4.18Å; L674-L678 WeakPolarHBondContact O-CG 3.49Å; L674-L678 PolarHBondContact O-N 3.3Å |
| 675 | L | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | -179.8 | -72 | 176.7 | 0 | 0 | 0 | 112.3 | L549 F555 L671 N672 R677 L678 H679 V756 F760 I785 L877 | L549-L675 HydrophobicContact CD1-CD2 4.27Å; L549-L675 HydrophobicContact CD2-CD2 4.06Å; F555-L675 HydrophobicContact CE2-CD2 4.41Å; L671-L675 HydrophobicContact CD1-CD1 4.33Å; L671-L675 HydrophobicContact CD1-CG 4.35Å; L671-L675 HydrophobicContact CG-CD1 4.09Å; L671-L675 HydrophobicContact CG-CG 4.47Å; L671-L675 WeakPolarHBondContact O-CG 3.42Å; L671-L675 PolarHBondContact O-N 3.12Å; N672-L675 PolarHBondContact O-N 3.1Å; L675-R677 VanDerWaalsContact C-N 3.31Å; L675-R677 PolarHBondContact O-N 3.27Å; L675-L678 PolarHBondContact O-N 3.07Å; L675-H679 VanDerWaalsContact O-CB 3.29Å; L675-H679 WeakPolarHBondContact O-CB 3.4Å; L675-H679 PolarHBondContact O-N 3.28Å; L675-V756 HydrophobicContact CB-CG1 3.97Å; L675-V756 HydrophobicContact CD2-CG1 4.2Å; L675-V756 HydrophobicContact CD2-CG2 4.32Å; L675-F760 HydrophobicContact CD1-CD2 4.34Å; L675-F760 HydrophobicContact CD2-CD2 4.21Å; L675-F760 HydrophobicContact CD2-CE2 4.02Å; L675-I785 HydrophobicContact CB-CG2 4.45Å; L675-I785 HydrophobicContact CD1-CG2 3.72Å; L675-L877 HydrophobicContact CD1-CD1 3.67Å |
| 676 | D | 92.5 | Very high | 90.8 | Very high | 75 Ų | 75 | 39 Ų | 39 | 40% | 0.401 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.4 | -75.5 | -23.4 | 0 | 0 | 0 | 110.8 | N672 L678 H679 E680 I785 | N672-D676 WeakPolarHBondContact O-CB 3.48Å; N672-D676 PolarHBondContact O-N 3.44Å; D676-L678 PolarHBondContact O-N 3.48Å; D676-H679 WeakPolarHBondContact O-CB 3.43Å; D676-H679 PolarHBondContact O-N 2.62Å; D676-E680 WeakPolarHBondContact O-CG 3.45Å; D676-E680 PolarHBondContact O-N 3.18Å; D676-I785 VanDerWaalsContact OD1-CD1 3.28Å; D676-I785 WeakPolarHBondContact OD1-CD1 3.39Å |
| 677 | R | 92.4 | Very high | 89.7 | Confident | 110 Ų | 110 | 44.4 Ų | 44.4 | 42% | 0.415 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 179.2 | -164 | 60.5 | 174.3 | 158 | 0.5 | 112.4 | L625 Y673 L674 L675 E680 E681 | L625-R677 HydrophobicContact CD2-CB 3.91Å; L625-R677 HydrophobicContact CD2-CG 3.71Å; Y673-R677 WeakPolarHBondContact O-CB 3.41Å; Y673-R677 PolarHBondContact O-N 3.18Å; L674-R677 PolarHBondContact O-N 3.42Å; L675-R677 VanDerWaalsContact C-N 3.31Å; L675-R677 PolarHBondContact O-N 3.27Å; R677-E680 IonicContact NH1-OE2 2.76Å; R677-E680 PolarHBondContact NH1-OE2 3.37Å; R677-E680 PolarHBondContact O-N 3.45Å; R677-E681 WeakPolarHBondContact O-CB 3.33Å; R677-E681 PolarHBondContact O-N 2.95Å |
| 678 | L | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 172.8 | -74 | 169.1 | 0 | 0 | 0 | 111.7 | F555 L625 L629 L674 L675 D676 E681 E682 V756 | F555-L678 HydrophobicContact CE2-CD1 4.43Å; F555-L678 HydrophobicContact CZ-CD1 3.89Å; L625-L678 HydrophobicContact CD2-CD2 3.91Å; L625-L678 HydrophobicContact CD2-CG 3.98Å; L625-L678 HydrophobicContact CG-CD2 3.86Å; L625-L678 HydrophobicContact CG-CG 4.42Å; L629-L678 HydrophobicContact CD2-CD1 3.77Å; L629-L678 HydrophobicContact CD2-CD2 4.22Å; L674-L678 HydrophobicContact CD1-CD1 3.96Å; L674-L678 HydrophobicContact CD1-CG 4.24Å; L674-L678 HydrophobicContact CG-CD1 4.18Å; L674-L678 WeakPolarHBondContact O-CG 3.49Å; L674-L678 PolarHBondContact O-N 3.3Å; L675-L678 PolarHBondContact O-N 3.07Å; D676-L678 PolarHBondContact O-N 3.48Å; L678-E681 PolarHBondContact O-N 3.3Å; L678-E682 WeakPolarHBondContact O-CB 3.16Å; L678-E682 VanDerWaalsContact O-CG 3.31Å; L678-E682 WeakPolarHBondContact O-CG 3.41Å; L678-E682 PolarHBondContact O-N 3.14Å; L678-V756 HydrophobicContact CB-CG2 3.96Å |
| 679 | H | 91.7 | Very high | 85.9 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.2 | -50 | 176.7 | 173.7 | 65.8 | 0 | 0 | 0 | 111.4 | L675 D676 E681 E682 L683 S754 V756 | L675-H679 VanDerWaalsContact O-CB 3.29Å; L675-H679 WeakPolarHBondContact O-CB 3.4Å; L675-H679 PolarHBondContact O-N 3.28Å; D676-H679 WeakPolarHBondContact O-CB 3.43Å; D676-H679 PolarHBondContact O-N 2.62Å; H679-E681 PolarHBondContact O-N 2.91Å; H679-E682 PolarHBondContact O-N 2.8Å; H679-L683 VanDerWaalsContact NE2-CD1 3.33Å; H679-L683 WeakPolarHBondContact NE2-CD1 3.44Å; H679-L683 WeakPolarHBondContact O-CG 3.31Å; H679-L683 PolarHBondContact O-N 2.81Å; H679-S754 PolarHBondContact CE1-OG 3.4Å; H679-S754 WeakPolarHBondContact ND1-CB 3.31Å; H679-S754 PolarHBondContact ND1-OG 2.99Å; H679-V756 HydrophobicContact CB-CB 4.08Å; H679-V756 HydrophobicContact CB-CG1 4.21Å; H679-V756 HydrophobicContact CB-CG2 4.39Å |
| 680 | E | 90.4 | Very high | 83 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.9 | -73.5 | -173.5 | 165 | 0 | 0 | 111.9 | D676 R677 E682 L683 H684 | D676-E680 WeakPolarHBondContact O-CG 3.45Å; D676-E680 PolarHBondContact O-N 3.18Å; R677-E680 IonicContact NH1-OE2 2.76Å; R677-E680 PolarHBondContact NH1-OE2 3.37Å; R677-E680 PolarHBondContact O-N 3.45Å; E680-E682 PolarHBondContact O-N 2.91Å; E680-L683 PolarHBondContact O-N 3.47Å; E680-H684 PolarHBondContact O-N 3.18Å; E680-H684 PolarHBondContact O-ND1 2.84Å |
| 681 | E | 89.5 | Confident | 80.1 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | -179.9 | -169.5 | 167.5 | 133.9 | 0 | 0 | 111.4 | G623 V624 L625 H626 R677 L678 H679 L683 H684 C685 | G623-E681 WeakPolarHBondContact CA-OE1 3.47Å; G623-E681 PolarHBondContact N-OE1 3.37Å; V624-E681 PolarHBondContact N-OE1 3.46Å; L625-E681 WeakPolarHBondContact CB-OE2 3.19Å; H626-E681 WeakPolarHBondContact CB-OE1 3.36Å; H626-E681 PolarHBondContact N-OE1 3.25Å; H626-E681 VanDerWaalsContact N-OE1 3.17Å; R677-E681 WeakPolarHBondContact O-CB 3.33Å; R677-E681 PolarHBondContact O-N 2.95Å; L678-E681 PolarHBondContact O-N 3.3Å; H679-E681 PolarHBondContact O-N 2.91Å; E681-L683 PolarHBondContact O-N 3.47Å; E681-H684 PolarHBondContact O-N 3.46Å; E681-C685 PolarHBondContact O-N 3.19Å; E681-C685 PolarHBondContact O-SG 3.48Å; E681-C685 VanDerWaalsContact O-SG 3.33Å |
| 682 | E | 87.7 | Confident | 76.9 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 2% | 0.023 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 177.2 | -73.1 | 179.8 | -167.2 | 0 | 0 | 113.1 | F562 H626 L678 H679 E680 K686 S754 V755 | F562-E682 HydrophobicContact CE2-CG 4.16Å; F562-E682 HydrophobicContact CZ-CG 3.88Å; H626-E682 IonicContact CE1-OE1 3.84Å; L678-E682 WeakPolarHBondContact O-CB 3.16Å; L678-E682 VanDerWaalsContact O-CG 3.31Å; L678-E682 WeakPolarHBondContact O-CG 3.41Å; L678-E682 PolarHBondContact O-N 3.14Å; H679-E682 PolarHBondContact O-N 2.8Å; E680-E682 PolarHBondContact O-N 2.91Å; E682-K686 PolarHBondContact O-N 3.4Å; E682-K686 VanDerWaalsContact O-N 3.17Å; E682-S754 WeakPolarHBondContact OE2-CA 3.49Å; E682-S754 WeakPolarHBondContact OE2-CB 3.29Å; E682-V755 PolarHBondContact OE2-N 3.16Å |
| 683 | L | 86.8 | Confident | 73.8 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.3 | -73.7 | -178.3 | 0 | 0 | 0 | 111.8 | H679 E680 E681 K686 K687 S752 | H679-L683 VanDerWaalsContact NE2-CD1 3.33Å; H679-L683 WeakPolarHBondContact NE2-CD1 3.44Å; H679-L683 WeakPolarHBondContact O-CG 3.31Å; H679-L683 PolarHBondContact O-N 2.81Å; E680-L683 PolarHBondContact O-N 3.47Å; E681-L683 PolarHBondContact O-N 3.47Å; L683-K686 PolarHBondContact O-N 3.36Å; L683-K687 WeakPolarHBondContact O-CG 3.48Å; L683-K687 PolarHBondContact O-N 2.88Å; L683-K687 VanDerWaalsContact O-N 3.16Å; L683-S752 WeakPolarHBondContact CD2-O 3.42Å |
| 684 | H | 83.6 | Confident | 70.5 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 177.1 | -78 | 85.2 | 0 | 0 | 0 | 111.9 | E680 E681 K686 K687 Q688 | E680-H684 PolarHBondContact O-N 3.18Å; E680-H684 PolarHBondContact O-ND1 2.84Å; E681-H684 PolarHBondContact O-N 3.46Å; H684-K686 VanDerWaalsContact C-N 3.28Å; H684-K686 PolarHBondContact O-N 2.71Å; H684-K687 PolarHBondContact O-N 3.23Å; H684-Q688 PolarHBondContact O-N 3.11Å |
| 685 | C | 76.1 | Confident | 67.2 | Low | 19 Ų | 19 | 82.1 Ų | 82.1 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.3 | -40.5 | 175.4 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | Y566 E681 Q688 Q689 | Y566-C685 VanDerWaalsContact OH-CB 3.31Å; Y566-C685 WeakPolarHBondContact OH-CB 3.18Å; Y566-C685 PolarHBondContact OH-SG 2.98Å; E681-C685 PolarHBondContact O-N 3.19Å; E681-C685 PolarHBondContact O-SG 3.48Å; E681-C685 VanDerWaalsContact O-SG 3.33Å; C685-Q688 PolarHBondContact O-N 3.43Å; C685-Q689 PolarHBondContact O-N 3.49Å |
| 686 | K | 73.4 | Confident | 64 | Low | 69 Ų | 69 | 91.5 Ų | 91.5 | 30% | 0.3 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 177.5 | -75.1 | -176.3 | 174.9 | -169.2 | 0 | 113.4 | E682 L683 H684 Q688 Q689 S753 | E682-K686 PolarHBondContact O-N 3.4Å; E682-K686 VanDerWaalsContact O-N 3.17Å; L683-K686 PolarHBondContact O-N 3.36Å; H684-K686 VanDerWaalsContact C-N 3.28Å; H684-K686 PolarHBondContact O-N 2.71Å; K686-Q688 PolarHBondContact O-N 3.48Å; K686-Q689 PolarHBondContact O-N 3.01Å; K686-S753 PolarHBondContact NZ-O 3.05Å |
| 687 | K | 70.7 | Confident | 60.9 | Low | 149 Ų | 149 | 94.5 Ų | 94.5 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -26.3 | 176.5 | -74.1 | 177.6 | -177.9 | 177.6 | 0 | 113.1 | L683 H684 S690 | L683-K687 WeakPolarHBondContact O-CG 3.48Å; L683-K687 PolarHBondContact O-N 2.88Å; L683-K687 VanDerWaalsContact O-N 3.16Å; H684-K687 PolarHBondContact O-N 3.23Å; K687-S690 PolarHBondContact O-OG 3.25Å; K687-S690 VanDerWaalsContact O-OG 3.06Å |
| 688 | Q | 58.1 | Low | 57.8 | Low | 109 Ų | 109 | 95.6 Ų | 95.6 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -83.9 | -21.1 | 176.5 | -68.8 | -178 | 3.1 | 0 | 0 | 113.6 | H684 C685 K686 S690 | H684-Q688 PolarHBondContact O-N 3.11Å; C685-Q688 PolarHBondContact O-N 3.43Å; K686-Q688 PolarHBondContact O-N 3.48Å; Q688-S690 PolarHBondContact O-N 3.49Å |
| 689 | Q | 52.8 | Low | 54.5 | Low | 131 Ų | 131 | 100.5 Ų | 100.5 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -81.3 | -0.6 | 176.7 | -72.9 | -178.5 | 7 | 0 | 0 | 113.8 | C685 K686 P691 | C685-Q689 PolarHBondContact O-N 3.49Å; K686-Q689 PolarHBondContact O-N 3.01Å; Q689-P691 WeakPolarHBondContact O-CD 3.47Å |
| 690 | S | 34.1 | Very low | 51.3 | Low | 88 Ų | 88 | 102.8 Ų | 102.8 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | trans | -102.3 | 84.1 | 168.1 | 54.4 | 0 | 0 | 0 | 0 | 111 | K687 Q688 | K687-S690 PolarHBondContact O-OG 3.25Å; K687-S690 VanDerWaalsContact O-OG 3.06Å; Q688-S690 PolarHBondContact O-N 3.49Å | ||
| 691 | P | 34.5 | Very low | 48.3 | Very low | 101 Ų | 101 | 104.2 Ų | 104.2 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | trans | -81.8 | 133.4 | 164.4 | 31.7 | -29 | 0 | 0 | 0 | 110 | Q689 L693 | Q689-P691 WeakPolarHBondContact O-CD 3.47Å; P691-L693 PolarHBondContact O-N 3.36Å | ||
| 692 | S | 29.6 | Very low | 45.3 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 83% | 0.825 | 62% | 0.616 | S | S | * | * | trans | -21.6 | 109.2 | 160.7 | 52.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 693 | L | 28 | Very low | 42.4 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | trans | -109.5 | 90.5 | 149.7 | -97.1 | 155.2 | 0 | 0 | 0 | 105.2 | P691 | P691-L693 PolarHBondContact O-N 3.36Š| ||
| 694 | D | 25.9 | Very low | 39.7 | Very low | 163 Ų | 163 | 119.4 Ų | 119.4 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | trans | 177.9 | 83 | 149 | -88.2 | -18.2 | 0 | 0 | 0 | 109 | ||||
| 695 | S | 26.2 | Very low | 37.1 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | -164.2 | 89.7 | 157.5 | 173.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 696 | Y | 26.9 | Very low | 35 | Very low | 197 Ų | 197 | 127.6 Ų | 127.6 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | 174.1 | 98.7 | 131.9 | -112.9 | -96.2 | 0 | 0 | 0 | 109.8 | ||||
| 697 | C | 28.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 93% | 0.932 | 74% | 0.735 | S | S | * | * | trans | -156.5 | 126.2 | 133.7 | -112.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 698 | N | 27.1 | Very low | 30.9 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -80 | 148.5 | -162.9 | -85.1 | -32.5 | 0 | 0 | 0 | 115.6 | ||||
| 699 | S | 24 | Very low | 29.3 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | 90.6 | 130.7 | 127.4 | -164.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 700 | S | 24.1 | Very low | 28 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 68.6 | 127.9 | 149.3 | 44.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 701 | T | 27.2 | Very low | 27.7 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | cis | -173.3 | 157.3 | 43 | -18.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 702 | F | 26.9 | Very low | 27.3 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 87.4 | 142.1 | 156.5 | -86.4 | -81 | 0 | 0 | 0 | 122 | ||||
| 703 | T | 26.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -125.3 | 174.1 | -146.5 | 41.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 704 | A | 29.4 | Very low | 27.1 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | trans | 83.4 | 136.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 705 | D | 29.6 | Very low | 27.3 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | cis | -168.7 | 158.9 | 5.9 | -103.8 | -24.7 | 0 | 0 | 0 | 104.3 | ||||
| 706 | Q | 31.7 | Very low | 27.2 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | -177.4 | 132.9 | 51.7 | -134.8 | 163.9 | 29.3 | 0 | 0 | 110.2 | |||||
| 707 | Y | 27.7 | Very low | 27.2 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | 67.3 | 131.4 | 125.9 | -86.8 | -106.3 | 0 | 0 | 0 | 120.3 | |||||
| 708 | I | 30 | Very low | 27.1 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | cis | -149 | 151.3 | 29.1 | -85.7 | 157.6 | 0 | 0 | 0 | 113 | ||||
| 709 | Q | 25.5 | Very low | 26.9 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 147.6 | -177.2 | -135.8 | 102.7 | -4.4 | 0 | 0 | 116.8 | ||||
| 710 | S | 24.3 | Very low | 27.1 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | 30.3 | 144.8 | 129.9 | 69.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 711 | T | 28.4 | Very low | 27.1 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | -177.4 | 144.5 | 65.3 | 39.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 712 | M | 25.7 | Very low | 27.1 | Very low | 168 Ų | 168 | 148 Ų | 148 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | 47.1 | 138.3 | 132.8 | -61.5 | -179.1 | 172.7 | 0 | 0 | 120.2 | ||||
| 713 | D | 27.3 | Very low | 26.9 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | cis | -167.1 | 156.9 | 30.5 | -109.4 | -28.2 | 0 | 0 | 0 | 114.2 | ||||
| 714 | A | 26.3 | Very low | 26.7 | Very low | 79 Ų | 79 | 149 Ų | 149 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | trans | 52.6 | 115.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 715 | N | 30 | Very low | 26.4 | Very low | 148 Ų | 148 | 152.8 Ų | 152.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | -176.3 | 122 | 106.9 | -98.6 | -36.5 | 0 | 0 | 0 | 115.3 | |||||
| 716 | F | 25.5 | Very low | 26 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | 47.7 | 107.3 | 141 | -95.3 | -94.7 | 0 | 0 | 0 | 123.1 | ||||
| 717 | K | 27.1 | Very low | 25.7 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | 171.2 | 148.7 | 97.3 | -100 | -175 | -179.9 | 176.8 | 0 | 112.7 | |||||
| 718 | P | 25.1 | Very low | 25.4 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -105 | 161.5 | -177.9 | 39.5 | -32.9 | 0 | 0 | 0 | 115.4 | ||||
| 719 | K | 23.2 | Very low | 25.2 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | 77 | 164 | 160.3 | -69.9 | -177.8 | -179.6 | -177.4 | 0 | 118.2 | ||||
| 720 | P | 28.2 | Very low | 25 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -137.4 | 177 | -10.3 | 21.9 | 4.2 | 0 | 0 | 0 | 116 | ||||
| 721 | S | 23.6 | Very low | 25 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -23.8 | 144.7 | 156.7 | 45.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 722 | R | 27.1 | Very low | 24.9 | Very low | 237 Ų | 237 | 148.4 Ų | 148.4 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | trans | -145.7 | 118.7 | 158.3 | -96 | 178.7 | 169.4 | 174.4 | -4 | 107.8 | ||||
| 723 | S | 23.4 | Very low | 24.8 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 59.5 | 108.9 | 52.1 | 85.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 724 | Y | 21 | Very low | 24.8 | Very low | 233 Ų | 233 | 145.3 Ų | 145.3 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -55.4 | 130.7 | 164.9 | -74.3 | -89 | 0 | 0 | 0 | 110.7 | ||||
| 725 | N | 23.5 | Very low | 24.9 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -158 | 148 | 139.4 | -115.4 | -14.1 | 0 | 0 | 0 | 112.3 | ||||
| 726 | T | 22.5 | Very low | 24.6 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 155.1 | -176.7 | 47.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 727 | N | 23.6 | Very low | 24.8 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 100.8 | 124.3 | 148.2 | -73.3 | -27.3 | 0 | 0 | 0 | 121.5 | ||||
| 728 | K | 23.2 | Very low | 24.6 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | 75.4 | 131.1 | 139.5 | -76.1 | -178.6 | 174.5 | -177.4 | 0 | 120.9 | ||||
| 729 | Q | 24 | Very low | 24.7 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | 87.7 | 99.1 | 149.7 | -88 | 168.5 | -23.2 | 0 | 0 | 120.9 | ||||
| 730 | S | 23.2 | Very low | 24.7 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | 54.7 | 111.3 | 121.2 | 63 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 731 | C | 23.3 | Very low | 24.6 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 64.7 | 109.7 | 122.5 | -45.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 732 | S | 26.7 | Very low | 24.6 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | -175.6 | 108.5 | 124.2 | 40.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 733 | A | 23.4 | Very low | 24.7 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | 69 | 101.2 | 92.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 734 | D | 27.3 | Very low | 24.7 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | -165.2 | 109.1 | 125.4 | -98.2 | -29.2 | 0 | 0 | 0 | 113 | |||||
| 735 | S | 27.7 | Very low | 24.9 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | 49 | 98.8 | 127.4 | -47.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 736 | I | 24.1 | Very low | 25.1 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | 43 | 113.1 | 124.3 | -52.1 | 171 | 0 | 0 | 0 | 118.8 | |||||
| 737 | Q | 29.4 | Very low | 25.2 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -148.7 | 115.8 | 125.9 | -105.7 | 179.1 | 15.1 | 0 | 0 | 110.4 | |||||
| 738 | N | 22.4 | Very low | 25.3 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 121.8 | 163.6 | -86.4 | -40.7 | 0 | 0 | 0 | 109 | ||||
| 739 | L | 27.4 | Very low | 25.7 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -122.2 | 115.1 | 141.9 | -100.7 | 104.9 | 0 | 0 | 0 | 107 | ||||
| 740 | G | 23.1 | Very low | 26.1 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -74.8 | 136 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 741 | E | 27 | Very low | 27 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -126.8 | 116.7 | 153.2 | -85.1 | -173.1 | 155.2 | 0 | 0 | 108.8 | ||||
| 742 | N | 23.4 | Very low | 28.8 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -60.2 | 127.1 | 161.3 | -70.8 | -46.8 | 0 | 0 | 0 | 108.8 | ||||
| 743 | T | 28.4 | Very low | 31.2 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -141.5 | 92.7 | 149.7 | 18.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 744 | L | 24.6 | Very low | 34.4 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | -81.9 | 145.8 | 146.5 | -82.4 | 163.3 | 0 | 0 | 0 | 107.6 | ||||
| 745 | N | 25.1 | Very low | 37.5 | Very low | 147 Ų | 147 | 118 Ų | 118 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | 85.7 | 96.1 | 170 | -52.5 | -20.9 | 0 | 0 | 0 | 115.9 | ||||
| 746 | D | 27.1 | Very low | 40.6 | Very low | 156 Ų | 156 | 113.3 Ų | 113.3 | 83% | 0.834 | 67% | 0.666 | S | S | * | * | -142.8 | 117.4 | 123.3 | -118.3 | -17.7 | 0 | 0 | 0 | 110.9 | |||||
| 747 | D | 25.6 | Very low | 43.8 | Very low | 166 Ų | 166 | 107.5 Ų | 107.5 | 89% | 0.888 | 64% | 0.641 | S | S | * | * | trans | -92.8 | 84.1 | 171.7 | -168.2 | 15.1 | 0 | 0 | 0 | 106.5 | ||||
| 748 | S | 25.3 | Very low | 46.9 | Very low | 101 Ų | 101 | 105.6 Ų | 105.6 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | trans | -172.2 | 102.5 | 163.6 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 749 | G | 30.7 | Very low | 50.4 | Low | 64 Ų | 64 | 98.8 Ų | 98.8 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | trans | 148.6 | 72.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117 | S751 | G749-S751 PolarHBondContact O-N 3.4Š| ||
| 750 | S | 33.2 | Very low | 53.6 | Low | 134 Ų | 134 | 91.4 Ų | 91.4 | 94% | 0.937 | 55% | 0.551 | S | S | * | * | trans | -78.6 | 24.7 | 167 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 751 | S | 41.5 | Very low | 57 | Low | 97 Ų | 97 | 88.8 Ų | 88.8 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | trans | -106.6 | -0.6 | -161.8 | 53.1 | 0 | 0 | 0 | 0 | 117.9 | G749 | G749-S751 PolarHBondContact O-N 3.4Š| ||
| 752 | S | 60.6 | Low | 60.1 | Low | 92 Ų | 92 | 80.3 Ų | 80.3 | 64% | 0.643 | 49% | 0.486 | S | S | * | . | trans | -111.5 | -2.2 | -175.9 | 72.1 | 0 | 0 | 0 | 0 | 117.2 | L683 | L683-S752 WeakPolarHBondContact CD2-O 3.42Š| ||
| 753 | S | 78.8 | Confident | 63.4 | Low | 49 Ų | 49 | 72.9 Ų | 72.9 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | trans | -79.1 | 130.6 | -176.9 | 171.9 | 0 | 0 | 0 | 0 | 113 | K686 | K686-S753 PolarHBondContact NZ-O 3.05Š| ||
| 754 | S | 90.5 | Very high | 66.5 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 41% | 0.412 | C | S | . | . | trans | -59.6 | 158.8 | 168 | 68 | 0 | 0 | 0 | 0 | 111.1 | H679 E682 V756 A757 R758 | H679-S754 PolarHBondContact CE1-OG 3.4Å; H679-S754 WeakPolarHBondContact ND1-CB 3.31Å; H679-S754 PolarHBondContact ND1-OG 2.99Å; E682-S754 WeakPolarHBondContact OE2-CA 3.49Å; E682-S754 WeakPolarHBondContact OE2-CB 3.29Å; S754-V756 VanDerWaalsContact C-N 3.27Å; S754-V756 PolarHBondContact O-N 3.17Å; S754-A757 PolarHBondContact O-N 3.33Å; S754-A757 VanDerWaalsContact OG-CB 3.23Å; S754-A757 WeakPolarHBondContact OG-CB 3.18Å; S754-A757 PolarHBondContact OG-N 3.5Å; S754-R758 WeakPolarHBondContact O-CB 3.29Å; S754-R758 PolarHBondContact O-N 2.91Å; S754-R758 VanDerWaalsContact O-N 3.08Å | ||
| 755 | V | 91.1 | Very high | 69.7 | Low | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56 | -42.9 | 168.1 | 166.6 | 0 | 0 | 0 | 0 | 111.3 | F555 A558 F562 E682 R758 L759 | F555-V755 HydrophobicContact CD2-CG1 4.46Å; A558-V755 HydrophobicContact CB-CB 4.42Å; A558-V755 HydrophobicContact CB-CG1 3.52Å; A558-V755 HydrophobicContact CB-CG2 4Å; F562-V755 HydrophobicContact CD2-CG2 4.32Å; F562-V755 HydrophobicContact CE2-CB 4.18Å; F562-V755 HydrophobicContact CE2-CG2 3.45Å; F562-V755 VanDerWaalsContact CE2-CG2 3.45Å; F562-V755 HydrophobicContact CZ-CG2 4.2Å; E682-V755 PolarHBondContact OE2-N 3.16Å; V755-R758 VanDerWaalsContact CG2-NH2 3.29Å; V755-R758 PolarHBondContact O-N 3.3Å; V755-L759 HydrophobicContact CG1-CD1 3.56Å; V755-L759 HydrophobicContact CG1-CG 4.09Å; V755-L759 WeakPolarHBondContact O-CB 3.4Å; V755-L759 WeakPolarHBondContact O-CG 3.29Å; V755-L759 PolarHBondContact O-N 3.24Å |
| 756 | V | 93 | Very high | 72.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.1 | -56.6 | 179.3 | 177 | 0 | 0 | 0 | 0 | 111.4 | L675 L678 H679 S754 R758 L759 F760 I785 | L675-V756 HydrophobicContact CB-CG1 3.97Å; L675-V756 HydrophobicContact CD2-CG1 4.2Å; L675-V756 HydrophobicContact CD2-CG2 4.32Å; L678-V756 HydrophobicContact CB-CG2 3.96Å; H679-V756 HydrophobicContact CB-CB 4.08Å; H679-V756 HydrophobicContact CB-CG1 4.21Å; H679-V756 HydrophobicContact CB-CG2 4.39Å; S754-V756 VanDerWaalsContact C-N 3.27Å; S754-V756 PolarHBondContact O-N 3.17Å; V756-R758 VanDerWaalsContact C-N 3.26Å; V756-R758 PolarHBondContact O-N 2.83Å; V756-L759 PolarHBondContact O-N 3.39Å; V756-F760 HydrophobicContact CG1-CD2 4.37Å; V756-F760 PolarHBondContact O-N 3.15Å; V756-I785 HydrophobicContact CG1-CD1 4.03Å |
| 757 | A | 92.5 | Very high | 75.8 | Confident | 35 Ų | 35 | 51 Ų | 51 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.5 | -32.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S754 G761 | S754-A757 PolarHBondContact O-N 3.33Å; S754-A757 VanDerWaalsContact OG-CB 3.23Å; S754-A757 WeakPolarHBondContact OG-CB 3.18Å; S754-A757 PolarHBondContact OG-N 3.5Å; A757-G761 WeakPolarHBondContact O-CA 3.31Å; A757-G761 PolarHBondContact O-N 3.14Å |
| 758 | R | 93.7 | Very high | 78.9 | Confident | 141 Ų | 141 | 43.3 Ų | 43.3 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -73.3 | -40.5 | 178.1 | -163 | -164.6 | -36.8 | 145.4 | 13.1 | 112.7 | S754 V755 V756 | S754-R758 WeakPolarHBondContact O-CB 3.29Å; S754-R758 PolarHBondContact O-N 2.91Å; S754-R758 VanDerWaalsContact O-N 3.08Å; V755-R758 VanDerWaalsContact CG2-NH2 3.29Å; V755-R758 PolarHBondContact O-N 3.3Å; V756-R758 VanDerWaalsContact C-N 3.26Å; V756-R758 PolarHBondContact O-N 2.83Å |
| 759 | L | 95 | Very high | 81.9 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -82.2 | -42.7 | -175.9 | -70.5 | -178.3 | 0 | 0 | 0 | 112.3 | E554 F555 V755 V756 S873 H875 | E554-L759 HydrophobicContact CB-CD1 4.43Å; E554-L759 HydrophobicContact CB-CD2 4Å; F555-L759 HydrophobicContact CB-CD1 3.92Å; F555-L759 HydrophobicContact CD2-CD1 4.21Å; V755-L759 HydrophobicContact CG1-CD1 3.56Å; V755-L759 HydrophobicContact CG1-CG 4.09Å; V755-L759 WeakPolarHBondContact O-CB 3.4Å; V755-L759 WeakPolarHBondContact O-CG 3.29Å; V755-L759 PolarHBondContact O-N 3.24Å; V756-L759 PolarHBondContact O-N 3.39Å; L759-S873 WeakPolarHBondContact O-CB 3.48Å; L759-S873 PolarHBondContact O-OG 3.15Å; L759-H875 WeakPolarHBondContact O-CA 3.47Å; L759-H875 WeakPolarHBondContact O-CB 3.27Å; L759-H875 PolarHBondContact O-N 2.72Å; L759-H875 VanDerWaalsContact O-O 3.05Å |
| 760 | F | 96.1 | Very high | 84.4 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -115.1 | -15.3 | -171 | -53 | -67.2 | 0 | 0 | 0 | 114.4 | L549 F555 L675 V756 I785 S873 H875 L877 L994 | L549-F760 HydrophobicContact CD2-CE2 4.33Å; L549-F760 HydrophobicContact CD2-CZ 3.99Å; F555-F760 HydrophobicContact CB-CZ 4.17Å; F555-F760 AromaticContact CD2-CE2 3.74Å; F555-F760 HydrophobicContact CD2-CE2 3.74Å; F555-F760 HydrophobicContact CD2-CZ 4.18Å; F555-F760 HydrophobicContact CE2-CE2 4.32Å; F555-F760 HydrophobicContact CG-CE2 4.32Å; F555-F760 HydrophobicContact CG-CZ 4.31Å; L675-F760 HydrophobicContact CD1-CD2 4.34Å; L675-F760 HydrophobicContact CD2-CD2 4.21Å; L675-F760 HydrophobicContact CD2-CE2 4.02Å; V756-F760 HydrophobicContact CG1-CD2 4.37Å; V756-F760 PolarHBondContact O-N 3.15Å; F760-I785 HydrophobicContact CB-CG2 3.96Å; F760-S873 VanDerWaalsContact CA-OG 3.29Å; F760-S873 WeakPolarHBondContact CA-OG 3.47Å; F760-S873 PolarHBondContact O-OG 2.88Å; F760-H875 WeakPolarHBondContact CA-O 3.44Å; F760-H875 HydrophobicContact CD1-CB 3.79Å; F760-H875 HydrophobicContact CE1-CB 3.8Å; F760-L877 HydrophobicContact CD1-CD1 4.03Å; F760-L877 HydrophobicContact CD1-CG 4.1Å; F760-L877 HydrophobicContact CG-CD1 4.27Å; F760-L994 HydrophobicContact CE1-CD1 4.01Å |
| 761 | G | 93 | Very high | 86.8 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | trans | -68 | 141 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A757 F784 S873 | A757-G761 WeakPolarHBondContact O-CA 3.31Å; A757-G761 PolarHBondContact O-N 3.14Å; G761-F784 CarbonylContact C-O 3.54Å; G761-F784 WeakPolarHBondContact CA-O 3.47Å; G761-S873 PolarHBondContact N-OG 3.29Å; G761-S873 WeakPolarHBondContact O-CB 3.45Å; G761-S873 PolarHBondContact O-N 2.95Å; G761-S873 PolarHBondContact O-OG 3.01Å | ||
| 762 | G | 92.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 170.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q783 F784 Q871 | G762-Q783 WeakPolarHBondContact O-CA 3.45Å; G762-F784 PolarHBondContact N-O 3.25Å; G762-F784 PolarHBondContact O-N 2.92Å; G762-Q871 CarbonylContact C-O 3.51Å; G762-Q871 WeakPolarHBondContact CA-O 3.31Å |
| 763 | T | 93 | Very high | 89.7 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.8 | 174.2 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | Q781 E782 Q783 Q870 Q871 | T763-Q781 HydrophobicContact CG2-CG 4.29Å; T763-E782 CarbonylContact C-O 3.57Å; T763-E782 WeakPolarHBondContact CA-O 3.48Å; T763-Q783 HydrophobicContact CG2-CG 3.83Å; T763-Q870 PolarHBondContact O-N 3.34Å; T763-Q871 PolarHBondContact N-O 3.04Å; T763-Q871 PolarHBondContact O-N 3.46Å; T763-Q871 WeakPolarHBondContact OG1-CB 3.43Å |
| 764 | M | 93.1 | Very high | 89.9 | Confident | 26 Ų | 26 | 33.4 Ų | 33.4 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 154.6 | 174.9 | 69.2 | 177.6 | 81.7 | 0 | 0 | 110.6 | Q781 E782 F784 L787 L867 K868 | M764-Q781 CarbonylContact O-C 3.59Å; M764-Q781 WeakPolarHBondContact O-CA 3.5Å; M764-E782 HydrophobicContact CG-CB 4.08Å; M764-E782 PolarHBondContact N-O 3.18Å; M764-E782 PolarHBondContact O-N 3.09Å; M764-F784 HydrophobicContact CB-CD1 4.36Å; M764-F784 HydrophobicContact CB-CE1 4.22Å; M764-F784 HydrophobicContact CE-CB 3.98Å; M764-F784 HydrophobicContact CE-CD1 3.28Å; M764-F784 HydrophobicContact CE-CE1 3.89Å; M764-F784 HydrophobicContact CE-CG 3.75Å; M764-F784 HydrophobicContact CG-CD1 4.29Å; M764-L787 HydrophobicContact CE-CD2 4.27Å; M764-L867 HydrophobicContact SD-CD1 4.41Å; M764-L867 HydrophobicContact SD-CD2 4.09Å; M764-K868 CarbonylContact C-O 3.58Å; M764-K868 VanDerWaalsContact CA-O 3.32Å; M764-K868 WeakPolarHBondContact CA-O 3.42Å |
| 765 | L | 92 | Very high | 89.4 | Confident | 29 Ų | 29 | 36.4 Ų | 36.4 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.3 | 177.7 | -172.6 | 67.4 | 0 | 0 | 0 | 109.6 | L867 K868 Q870 | L765-L867 WeakPolarHBondContact O-CA 3.34Å; L765-K868 HydrophobicContact CB-CB 4.42Å; L765-K868 PolarHBondContact N-O 2.81Å; L765-K868 PolarHBondContact O-N 2.92Å; L765-Q870 HydrophobicContact CB-CG 4.02Å |
| 766 | R | 91.4 | Very high | 89.1 | Confident | 61 Ų | 61 | 38.7 Ų | 38.7 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118 | 171.7 | -173.7 | 175.7 | 70.3 | -137.7 | -14.5 | 110.4 | S779 R780 E782 S866 L867 | R766-S779 WeakPolarHBondContact O-CA 3.21Å; R766-R780 PolarHBondContact N-O 2.9Å; R766-R780 PolarHBondContact O-N 3.33Å; R766-E782 IonicContact CZ-OE1 3.76Å; R766-E782 IonicContact CZ-OE2 3.77Å; R766-E782 IonicContact NE-OE1 2.84Å; R766-E782 VanDerWaalsContact NH1-CD 3.27Å; R766-E782 IonicContact NH1-OE1 3.23Å; R766-E782 PolarHBondContact NH1-OE1 3.21Å; R766-E782 IonicContact NH1-OE2 2.73Å; R766-E782 PolarHBondContact NH1-OE2 3.45Å; R766-E782 IonicContact NH2-OE1 3.89Å; R766-E782 PolarHBondContact NH2-OE1 2.92Å; R766-S866 WeakPolarHBondContact CA-O 3.45Å; R766-L867 HydrophobicContact CB-CD2 3.77Å; R766-L867 HydrophobicContact CG-CD2 3.84Å |
| 767 | H | 90.2 | Very high | 88.6 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.2 | 170.9 | -96.5 | 87.4 | 0 | 0 | 0 | 110.3 | S779 R865 S866 Y917 | H767-S779 PolarHBondContact CE1-OG 3.14Å; H767-S779 PolarHBondContact NE2-OG 3.32Å; H767-R865 CarbonylContact O-C 3.5Å; H767-R865 VanDerWaalsContact O-CA 3.28Å; H767-R865 WeakPolarHBondContact O-CA 3.32Å; H767-S866 PolarHBondContact N-O 2.84Å; H767-S866 PolarHBondContact O-N 3.44Å; H767-Y917 AromaticContact CD2-CE2 3.92Å; H767-Y917 AromaticContact NE2-CE2 3.8Å |
| 768 | T | 88.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118 | 171.8 | -49.7 | 0 | 0 | 0 | 0 | 109.8 | V776 S777 S778 Q863 A864 R865 | T768-V776 CarbonylContact O-C 3.58Å; T768-S777 PolarHBondContact O-N 3.04Å; T768-S777 PolarHBondContact O-OG 3.31Å; T768-S778 WeakPolarHBondContact CB-OG 3.49Å; T768-S778 PolarHBondContact N-O 2.95Å; T768-S778 PolarHBondContact O-N 3.47Å; T768-S778 PolarHBondContact OG1-OG 3.49Å; T768-Q863 HydrophobicContact CG2-CB 3.93Å; T768-Q863 HydrophobicContact CG2-CG 4.4Å; T768-A864 CarbonylContact C-O 3.46Å; T768-A864 VanDerWaalsContact CA-O 3.28Å; T768-A864 WeakPolarHBondContact CA-O 3.49Å; T768-R865 HydrophobicContact CG2-CG 3.97Å |
| 769 | S | 89 | Confident | 88.1 | Confident | 30 Ų | 30 | 37 Ų | 37 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 157.3 | -177.5 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | H775 Q863 A864 | S769-H775 CarbonylContact C-O 3.52Å; S769-H775 VanDerWaalsContact CA-O 3.25Å; S769-H775 WeakPolarHBondContact CA-O 3.32Å; S769-Q863 CarbonylContact O-C 3.55Å; S769-Q863 WeakPolarHBondContact O-CA 3.44Å; S769-A864 PolarHBondContact N-O 3.38Å; S769-A864 PolarHBondContact O-N 3.43Å |
| 770 | C | 82.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.4 | 170.5 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | E772 C773 Q774 H775 C854 T861 | C770-E772 VanDerWaalsContact C-N 3.33Å; C770-E772 PolarHBondContact O-N 2.71Å; C770-E772 PolarHBondContact SG-N 3.2Å; C770-C773 PolarHBondContact SG-N 3.36Å; C770-C773 VanDerWaalsContact SG-N 3.42Å; C770-C773 PolarHBondContact SG-SG 3.31Å; C770-Q774 WeakPolarHBondContact O-CA 3.39Å; C770-Q774 PolarHBondContact O-N 2.98Å; C770-H775 HydrophobicContact CB-CB 4.38Å; C770-H775 PolarHBondContact N-O 3.27Å; C770-C854 HydrophobicContact CB-CB 4.45Å; C770-C854 VanDerWaalsContact SG-SG 3.63Å; C770-T861 WeakPolarHBondContact SG-CG2 3.27Å |
| 771 | V | 85 | Confident | 87.7 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -35.3 | 177.9 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | V862 A864 | V771-V862 WeakPolarHBondContact CB-O 3.33Å; V771-V862 WeakPolarHBondContact CG2-O 3.42Å; V771-V862 PolarHBondContact N-O 2.88Å; V771-A864 HydrophobicContact CG2-CB 3.89Å |
| 772 | E | 81.5 | Confident | 87.6 | Confident | 101 Ų | 101 | 51.5 Ų | 51.5 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -44.5 | -175 | -71.8 | -76.3 | 144.9 | 0 | 0 | 114.4 | C770 K859 T861 | C770-E772 VanDerWaalsContact C-N 3.33Å; C770-E772 PolarHBondContact O-N 2.71Å; C770-E772 PolarHBondContact SG-N 3.2Å; E772-K859 HydrophobicContact CB-CD 4.38Å; E772-K859 HydrophobicContact CG-CD 4.2Å; E772-K859 IonicContact OE2-NZ 3.63Å; E772-K859 PolarHBondContact OE2-NZ 3.12Å; E772-T861 HydrophobicContact CG-CG2 4.34Å; E772-T861 VanDerWaalsContact CG-OG1 3.3Å; E772-T861 WeakPolarHBondContact CG-OG1 3.41Å |
| 773 | C | 81.1 | Confident | 87.6 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 32% | 0.324 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 0.9 | -173.3 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | C770 H775 C854 C857 | C770-C773 PolarHBondContact SG-N 3.36Å; C770-C773 VanDerWaalsContact SG-N 3.42Å; C770-C773 PolarHBondContact SG-SG 3.31Å; C773-H775 PolarHBondContact O-N 3.35Å; C773-H775 VanDerWaalsContact SG-CB 3.56Å; C773-C854 VanDerWaalsContact SG-SG 3.68Å; C773-C857 HydrophobicContact CB-CB 3.9Å |
| 774 | Q | 82.3 | Confident | 87.6 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | trans | 61.7 | 7.2 | 177.2 | -56.1 | 174.4 | -6.1 | 0 | 0 | 115.5 | C770 V776 Y919 | C770-Q774 WeakPolarHBondContact O-CA 3.39Å; C770-Q774 PolarHBondContact O-N 2.98Å; Q774-V776 PolarHBondContact O-N 3.35Å; Q774-Y919 VanDerWaalsContact CD-CD2 3.44Å; Q774-Y919 VanDerWaalsContact NE2-CD1 3.31Å; Q774-Y919 VanDerWaalsContact NE2-CE2 3.34Å; Q774-Y919 VanDerWaalsContact OE1-CD2 3.27Å | ||
| 775 | H | 80.7 | Confident | 87.6 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 30% | 0.296 | 31% | 0.306 | S | S | . | . | trans | -56.3 | 126.6 | 172.8 | 179.4 | 75.1 | 0 | 0 | 0 | 110.8 | S769 C770 C773 S777 E855 | S769-H775 CarbonylContact C-O 3.52Å; S769-H775 VanDerWaalsContact CA-O 3.25Å; S769-H775 WeakPolarHBondContact CA-O 3.32Å; C770-H775 HydrophobicContact CB-CB 4.38Å; C770-H775 PolarHBondContact N-O 3.27Å; C773-H775 PolarHBondContact O-N 3.35Å; C773-H775 VanDerWaalsContact SG-CB 3.56Å; H775-S777 PolarHBondContact O-N 3.01Å; H775-E855 IonicContact CD2-OE1 3.66Å; H775-E855 PolarHBondContact CD2-OE1 3.44Å; H775-E855 IonicContact CE1-OE1 3.3Å; H775-E855 IonicContact NE2-OE1 3.65Å; H775-E855 PolarHBondContact NE2-OE1 3.3Å | ||
| 776 | V | 84.3 | Confident | 87.7 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 103.5 | 179.5 | 179 | 0 | 0 | 0 | 0 | 109.1 | T768 Q774 S778 | T768-V776 CarbonylContact O-C 3.58Å; Q774-V776 PolarHBondContact O-N 3.35Å; V776-S778 WeakPolarHBondContact CG1-O 3.47Å |
| 777 | S | 82.2 | Confident | 87.8 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -29.4 | 176.5 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | T768 H775 | T768-S777 PolarHBondContact O-N 3.04Å; T768-S777 PolarHBondContact O-OG 3.31Å; H775-S777 PolarHBondContact O-N 3.01Å |
| 778 | S | 86 | Confident | 88 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 144.9 | 174.2 | 64 | 0 | 0 | 0 | 0 | 112.6 | T768 V776 | T768-S778 WeakPolarHBondContact CB-OG 3.49Å; T768-S778 PolarHBondContact N-O 2.95Å; T768-S778 PolarHBondContact O-N 3.47Å; T768-S778 PolarHBondContact OG1-OG 3.49Å; V776-S778 WeakPolarHBondContact CG1-O 3.47Å |
| 779 | S | 90.4 | Very high | 88.2 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 114.5 | 167.2 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | R766 H767 | R766-S779 WeakPolarHBondContact O-CA 3.21Å; H767-S779 PolarHBondContact CE1-OG 3.14Å; H767-S779 PolarHBondContact NE2-OG 3.32Å |
| 780 | R | 89.9 | Confident | 88.2 | Confident | 161 Ų | 161 | 60.4 Ų | 60.4 | 61% | 0.608 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133 | -176.5 | -66.9 | -166.6 | 179.6 | -170.5 | -0.2 | 110.8 | R766 | R766-R780 PolarHBondContact N-O 2.9Å; R766-R780 PolarHBondContact O-N 3.33Å |
| 781 | Q | 91.8 | Very high | 88.4 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 53% | 0.533 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.2 | 170.4 | -173.4 | 173.9 | -13.6 | 0 | 0 | 109.3 | T763 M764 | T763-Q781 HydrophobicContact CG2-CG 4.29Å; M764-Q781 CarbonylContact O-C 3.59Å; M764-Q781 WeakPolarHBondContact O-CA 3.5Å |
| 782 | E | 91.7 | Very high | 87.7 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 29% | 0.29 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137 | -178.5 | -55.3 | -163.2 | 139.1 | 0 | 0 | 109.7 | T763 M764 R766 | T763-E782 CarbonylContact C-O 3.57Å; T763-E782 WeakPolarHBondContact CA-O 3.48Å; M764-E782 HydrophobicContact CG-CB 4.08Å; M764-E782 PolarHBondContact N-O 3.18Å; M764-E782 PolarHBondContact O-N 3.09Å; R766-E782 IonicContact CZ-OE1 3.76Å; R766-E782 IonicContact CZ-OE2 3.77Å; R766-E782 IonicContact NE-OE1 2.84Å; R766-E782 VanDerWaalsContact NH1-CD 3.27Å; R766-E782 IonicContact NH1-OE1 3.23Å; R766-E782 PolarHBondContact NH1-OE1 3.21Å; R766-E782 IonicContact NH1-OE2 2.73Å; R766-E782 PolarHBondContact NH1-OE2 3.45Å; R766-E782 IonicContact NH2-OE1 3.89Å; R766-E782 PolarHBondContact NH2-OE1 2.92Å |
| 783 | Q | 92 | Very high | 86.7 | Confident | 177 Ų | 177 | 58.6 Ų | 58.6 | 83% | 0.827 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 146.2 | 174.4 | -68.7 | -180 | -2.5 | 0 | 0 | 110 | G762 T763 | G762-Q783 WeakPolarHBondContact O-CA 3.45Å; T763-Q783 HydrophobicContact CG2-CG 3.83Å |
| 784 | F | 93 | Very high | 85.3 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 153.9 | 174.4 | 66 | -92.7 | 0 | 0 | 0 | 111.1 | G761 G762 M764 L787 L869 L872 | G761-F784 CarbonylContact C-O 3.54Å; G761-F784 WeakPolarHBondContact CA-O 3.47Å; G762-F784 PolarHBondContact N-O 3.25Å; G762-F784 PolarHBondContact O-N 2.92Å; M764-F784 HydrophobicContact CB-CD1 4.36Å; M764-F784 HydrophobicContact CB-CE1 4.22Å; M764-F784 HydrophobicContact CE-CB 3.98Å; M764-F784 HydrophobicContact CE-CD1 3.28Å; M764-F784 HydrophobicContact CE-CE1 3.89Å; M764-F784 HydrophobicContact CE-CG 3.75Å; M764-F784 HydrophobicContact CG-CD1 4.29Å; F784-L787 HydrophobicContact CD1-CD2 4.35Å; F784-L787 HydrophobicContact CD2-CD2 3.7Å; F784-L787 HydrophobicContact CD2-CG 4.05Å; F784-L787 HydrophobicContact CE1-CD2 4Å; F784-L787 HydrophobicContact CE2-CD1 4.33Å; F784-L787 HydrophobicContact CE2-CD2 3.33Å; F784-L787 HydrophobicContact CE2-CG 3.54Å; F784-L787 HydrophobicContact CG-CD2 4.2Å; F784-L787 HydrophobicContact CZ-CD2 3.48Å; F784-L787 VanDerWaalsContact CZ-CD2 3.48Å; F784-L787 HydrophobicContact CZ-CG 4.06Å; F784-L869 HydrophobicContact CE1-CD1 3.83Å; F784-L869 HydrophobicContact CZ-CD1 3.71Å; F784-L872 HydrophobicContact CE2-CD2 4.17Å; F784-L872 HydrophobicContact CZ-CD2 3.83Å |
| 785 | I | 93 | Very high | 83.5 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -103.8 | -34.1 | 170.4 | -67.9 | 173.8 | 0 | 0 | 0 | 110.6 | L675 D676 V756 F760 L877 | L675-I785 HydrophobicContact CB-CG2 4.45Å; L675-I785 HydrophobicContact CD1-CG2 3.72Å; D676-I785 VanDerWaalsContact OD1-CD1 3.28Å; D676-I785 WeakPolarHBondContact OD1-CD1 3.39Å; V756-I785 HydrophobicContact CG1-CD1 4.03Å; F760-I785 HydrophobicContact CB-CG2 3.96Å; I785-L877 HydrophobicContact CG2-CD1 4.29Å |
| 786 | C | 95.2 | Very high | 81.3 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134 | -179.1 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | N672 Y788 L877 | N672-C786 WeakPolarHBondContact OD1-CB 3.41Å; C786-Y788 HydrophobicContact CB-CE2 4.06Å; C786-L877 HydrophobicContact CB-CB 4.15Å |
| 787 | L | 94.4 | Very high | 78.8 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.3 | 171.7 | -71.9 | 180 | 0 | 0 | 0 | 109.8 | M764 F784 F842 L869 L872 V876 L877 I878 C879 | M764-L787 HydrophobicContact CE-CD2 4.27Å; F784-L787 HydrophobicContact CD1-CD2 4.35Å; F784-L787 HydrophobicContact CD2-CD2 3.7Å; F784-L787 HydrophobicContact CD2-CG 4.05Å; F784-L787 HydrophobicContact CE1-CD2 4Å; F784-L787 HydrophobicContact CE2-CD1 4.33Å; F784-L787 HydrophobicContact CE2-CD2 3.33Å; F784-L787 HydrophobicContact CE2-CG 3.54Å; F784-L787 HydrophobicContact CG-CD2 4.2Å; F784-L787 HydrophobicContact CZ-CD2 3.48Å; F784-L787 VanDerWaalsContact CZ-CD2 3.48Å; F784-L787 HydrophobicContact CZ-CG 4.06Å; L787-F842 HydrophobicContact CD2-CZ 3.87Å; L787-L869 HydrophobicContact CD2-CD1 4.16Å; L787-L872 HydrophobicContact CD1-CD2 4.06Å; L787-V876 HydrophobicContact CD1-CG1 3.95Å; L787-L877 PolarHBondContact N-O 3.08Å; L787-I878 HydrophobicContact CB-CG1 4.49Å; L787-I878 CarbonylContact O-C 3.5Å; L787-I878 WeakPolarHBondContact O-CA 3.48Å; L787-C879 PolarHBondContact O-N 3.39Å |
| 788 | Y | 94 | Very high | 76.1 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.6 | 173.7 | -71.4 | -96.1 | 0 | 0 | 0 | 109.5 | N672 C786 C879 N881 | N672-Y788 PolarHBondContact ND2-OH 3.5Å; C786-Y788 HydrophobicContact CB-CE2 4.06Å; Y788-C879 WeakPolarHBondContact CA-O 3.35Å; Y788-C879 HydrophobicContact CD1-CB 3.75Å; Y788-C879 HydrophobicContact CE1-CB 3.83Å; Y788-C879 HydrophobicContact CG-CB 4.33Å; Y788-N881 WeakPolarHBondContact CD1-OD1 3.34Å |
| 789 | V | 92.6 | Very high | 73.6 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118 | -175 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | L837 I838 I878 C879 L880 N881 | V789-L837 HydrophobicContact CG1-CB 3.75Å; V789-I838 HydrophobicContact CG2-CG1 4.01Å; V789-I878 HydrophobicContact CG2-CG2 3.7Å; V789-C879 PolarHBondContact N-O 3.43Å; V789-L880 HydrophobicContact CB-CD2 4.12Å; V789-L880 HydrophobicContact CG1-CD2 4.5Å; V789-N881 PolarHBondContact O-N 3.27Å |
| 790 | P | 88.7 | Confident | 70.6 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 21% | 0.208 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 141.9 | 177.8 | 27.2 | -30.5 | 0 | 0 | 0 | 112 | H841 | P790-H841 WeakPolarHBondContact CD-CD2 3.35Å; P790-H841 VanDerWaalsContact CG-CD2 3.41Å; P790-H841 WeakPolarHBondContact CG-CD2 3.39Å |
| 791 | L | 85.8 | Confident | 67.5 | Low | 6 Ų | 6 | 82 Ų | 82 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -96.4 | -11.5 | 175.4 | -61.1 | -178.5 | 0 | 0 | 0 | 113.3 | T828 L837 L880 V882 I895 V899 | L791-T828 PolarHBondContact O-OG1 2.99Å; L791-L837 HydrophobicContact CD2-CD1 3.6Å; L791-L837 HydrophobicContact CD2-CD2 4.44Å; L791-L880 HydrophobicContact CD1-CB 4.48Å; L791-L880 HydrophobicContact CD2-CD2 4.35Å; L791-V882 HydrophobicContact CD1-CB 4.45Å; L791-V882 HydrophobicContact CD1-CG1 3.69Å; L791-I895 HydrophobicContact CB-CD1 3.88Å; L791-I895 HydrophobicContact CB-CG2 4.46Å; L791-I895 HydrophobicContact CD1-CB 4.35Å; L791-I895 HydrophobicContact CD1-CD1 4.35Å; L791-I895 HydrophobicContact CD1-CG2 4.19Å; L791-V899 HydrophobicContact CD1-CG2 4.48Å; L791-V899 HydrophobicContact CD2-CG2 3.72Å |
| 792 | T | 71.4 | Confident | 64.4 | Low | 17 Ų | 17 | 85.6 Ų | 85.6 | 10% | 0.104 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -116.3 | 152.4 | 179.1 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | P794 E824 K884 I895 | T792-P794 VanDerWaalsContact O-CD 3.27Å; T792-P794 WeakPolarHBondContact O-CD 3.26Å; T792-E824 PolarHBondContact OG1-OE2 3.12Å; T792-K884 VanDerWaalsContact CG2-CE 3.44Å; T792-K884 VanDerWaalsContact OG1-CE 3.25Å; T792-K884 WeakPolarHBondContact OG1-CE 3.3Å; T792-K884 PolarHBondContact OG1-NZ 3.23Å; T792-I895 HydrophobicContact CG2-CD1 4Å |
| 793 | K | 61.3 | Low | 61.4 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 47% | 0.47 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 118.9 | 171.6 | -65.6 | -177.4 | -178 | 178.4 | 0 | 108.7 | R795 | K793-R795 PolarHBondContact O-N 2.8Š|
| 794 | P | 50.8 | Low | 58.4 | Low | 50 Ų | 50 | 84.5 Ų | 84.5 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 134 | 160.5 | -17.2 | -1.6 | 0 | 0 | 0 | 110.7 | T792 E796 R844 | T792-P794 VanDerWaalsContact O-CD 3.27Å; T792-P794 WeakPolarHBondContact O-CD 3.26Å; P794-E796 PolarHBondContact O-N 3.47Å; P794-R844 VanDerWaalsContact CB-NH2 3.27Å; P794-R844 VanDerWaalsContact CG-CZ 3.44Å; P794-R844 VanDerWaalsContact N-NH2 3.16Å; P794-R844 PolarHBondContact O-NH2 3.26Å |
| 795 | R | 44 | Very low | 55.3 | Low | 116 Ų | 116 | 88.4 Ų | 88.4 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 129.8 | 171.4 | -86.8 | -172.9 | 173.8 | 162.4 | 6.4 | 109 | K793 L797 V823 D825 | K793-R795 PolarHBondContact O-N 2.8Å; R795-L797 PolarHBondContact O-N 3.15Å; R795-V823 WeakPolarHBondContact CD-O 3.42Å; R795-V823 WeakPolarHBondContact CG-O 3.43Å; R795-V823 VanDerWaalsContact CZ-O 3.28Å; R795-V823 PolarHBondContact NE-O 3.03Å; R795-D825 IonicContact CZ-OD1 2.79Å; R795-D825 IonicContact CZ-OD2 2.95Å; R795-D825 VanDerWaalsContact CZ-OD2 3.27Å; R795-D825 IonicContact NE-OD1 2.82Å; R795-D825 IonicContact NE-OD2 3.51Å; R795-D825 PolarHBondContact NE-OD2 3.4Å; R795-D825 IonicContact NH2-OD1 3.41Å; R795-D825 PolarHBondContact NH2-OD1 2.88Å; R795-D825 IonicContact NH2-OD2 3.88Å; R795-D825 PolarHBondContact NH2-OD2 3Å |
| 796 | E | 34.1 | Very low | 52.2 | Low | 157 Ų | 157 | 95.1 Ų | 95.1 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 121.7 | 165.3 | -74.5 | 177.3 | 169 | 0 | 0 | 107.4 | P794 L798 | P794-E796 PolarHBondContact O-N 3.47Å; E796-L798 PolarHBondContact O-N 2.81Å |
| 797 | L | 31.8 | Very low | 49.2 | Very low | 74 Ų | 74 | 101.7 Ų | 101.7 | 39% | 0.387 | 52% | 0.521 | S | S | . | . | trans | -64 | 90 | 166.6 | -76.1 | 165.5 | 0 | 0 | 0 | 106.8 | R795 Y799 L822 | R795-L797 PolarHBondContact O-N 3.15Å; L797-Y799 PolarHBondContact O-N 3.41Å; L797-L822 HydrophobicContact CD2-CD2 3.93Å | ||
| 798 | L | 26.6 | Very low | 46.2 | Very low | 152 Ų | 152 | 107.2 Ų | 107.2 | 80% | 0.796 | 56% | 0.558 | S | S | * | * | trans | -63.7 | 92 | 165.2 | -81.9 | 164 | 0 | 0 | 0 | 107.1 | E796 Q800 | E796-L798 PolarHBondContact O-N 2.81Å; L798-Q800 PolarHBondContact O-N 2.94Å; L798-Q800 VanDerWaalsContact O-N 3.11Å | ||
| 799 | Y | 32.6 | Very low | 43 | Very low | 161 Ų | 161 | 108.3 Ų | 108.3 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | trans | -60.6 | 108.8 | 154.8 | -93 | -96 | 0 | 0 | 0 | 106.4 | L797 D801 V862 | L797-Y799 PolarHBondContact O-N 3.41Å; Y799-D801 PolarHBondContact O-N 3.05Å; Y799-V862 HydrophobicContact CE2-CG2 3.71Å; Y799-V862 WeakPolarHBondContact OH-CG2 3.32Å | ||
| 800 | Q | 27.1 | Very low | 40 | Very low | 193 Ų | 193 | 117.3 Ų | 117.3 | 90% | 0.902 | 62% | 0.619 | S | S | * | * | trans | -68 | 85.6 | 166.3 | -79.5 | -178.3 | -20 | 0 | 0 | 108.4 | L798 Q802 | L798-Q800 PolarHBondContact O-N 2.94Å; L798-Q800 VanDerWaalsContact O-N 3.11Å; Q800-Q802 PolarHBondContact O-N 3.39Å | ||
| 801 | D | 25.8 | Very low | 37 | Very low | 139 Ų | 139 | 122 Ų | 122 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -71.2 | 104.9 | 153 | -88.9 | -29.9 | 0 | 0 | 0 | 107.7 | Y799 | Y799-D801 PolarHBondContact O-N 3.05Š| ||
| 802 | Q | 27.2 | Very low | 34.1 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 88% | 0.879 | 68% | 0.677 | S | S | * | * | trans | 162.4 | 106.9 | 134.1 | -86.9 | 169.8 | 26.1 | 0 | 0 | 111.4 | Q800 | Q800-Q802 PolarHBondContact O-N 3.39Š| ||
| 803 | A | 27.1 | Very low | 32 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 79% | 0.793 | 71% | 0.712 | S | S | * | * | trans | -145.5 | 124 | 131.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 804 | P | 29.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -74.2 | 155.2 | 179.8 | 31.9 | -32.5 | 0 | 0 | 0 | 110.8 | ||||
| 805 | S | 27 | Very low | 29.2 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -27.7 | 128.7 | 168.2 | 53.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 806 | E | 29.8 | Very low | 28.2 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | -177.7 | 134 | 108.1 | -94.9 | 178.9 | -161.8 | 0 | 0 | 112.8 | |||||
| 807 | N | 31.9 | Very low | 27.9 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | 83.1 | 119.2 | 160.2 | -63.8 | -35.4 | 0 | 0 | 0 | 121.5 | ||||
| 808 | P | 30.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -96.4 | 123.6 | 176.5 | 35.8 | -27.4 | 0 | 0 | 0 | 111.4 | ||||
| 809 | S | 25.9 | Very low | 27.8 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 173.6 | 93.3 | 149.7 | 37.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 810 | F | 30.8 | Very low | 27.8 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | -175.6 | 112.2 | 129.7 | -162.5 | -108.9 | 0 | 0 | 0 | 108.7 | T812 | F810-T812 WeakPolarHBondContact CE1-OG1 3.5Š| |||
| 811 | V | 26.3 | Very low | 28.3 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -72.2 | 124.7 | 170.6 | 171 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 812 | T | 25.1 | Very low | 28.8 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -174.7 | 133.9 | 131.7 | 19.1 | 0 | 0 | 0 | 0 | 112.9 | F810 | F810-T812 WeakPolarHBondContact CE1-OG1 3.5Š| ||
| 813 | K | 27 | Very low | 29.3 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | 89.4 | 91.9 | 166.2 | -57.9 | -174.9 | -177.4 | -177.3 | 0 | 117.2 | P815 | K813-P815 WeakPolarHBondContact O-CD 3.35Š| ||
| 814 | I | 24.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 82% | 0.821 | 73% | 0.728 | S | S | * | * | trans | -64.6 | 130.5 | 146.8 | -61.2 | 162.7 | 0 | 0 | 0 | 107.9 | ||||
| 815 | P | 27.9 | Very low | 30.6 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | -113.4 | 97.9 | 150.1 | 17.1 | 2.9 | 0 | 0 | 0 | 107.6 | K813 | K813-P815 WeakPolarHBondContact O-CD 3.35Š| ||
| 816 | E | 24 | Very low | 31.4 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | 24.1 | 108.2 | 104 | -71 | -171.6 | 174.6 | 0 | 0 | 114.6 | |||||
| 817 | S | 26.5 | Very low | 32.1 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | trans | 43.9 | 100.3 | 152.8 | 61.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 818 | N | 28.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 120 Ų | 120 | 81% | 0.807 | 66% | 0.656 | S | S | * | * | trans | -133.4 | 108.2 | 145.7 | -92.4 | -25.5 | 0 | 0 | 0 | 108.8 | S820 | N818-S820 PolarHBondContact O-N 2.9Š| ||
| 819 | D | 28.6 | Very low | 33.9 | Very low | 173 Ų | 173 | 122 Ų | 122 | 93% | 0.925 | 66% | 0.655 | S | S | * | * | trans | -61.1 | 74.5 | 155.4 | -76.3 | -42.8 | 0 | 0 | 0 | 107.9 | E821 | D819-E821 PolarHBondContact O-N 3.24Š| ||
| 820 | S | 31.8 | Very low | 35.2 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 65% | 0.653 | S | S | * | * | trans | -71.9 | 96.5 | 170.3 | -65.7 | 0 | 0 | 0 | 0 | 107.6 | N818 L822 | N818-S820 PolarHBondContact O-N 2.9Å; S820-L822 PolarHBondContact O-N 3.37Å | ||
| 821 | E | 37.6 | Very low | 36.7 | Very low | 100 Ų | 100 | 115.7 Ų | 115.7 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | trans | -53.8 | 123.8 | 178 | -155.3 | 177.6 | -151.2 | 0 | 0 | 109.6 | D819 V823 V888 | D819-E821 PolarHBondContact O-N 3.24Å; E821-V823 VanDerWaalsContact C-N 3.34Å; E821-V823 PolarHBondContact O-N 2.67Å; E821-V888 HydrophobicContact CB-CG2 4.32Å; E821-V888 HydrophobicContact CG-CG2 4.13Å; E821-V888 VanDerWaalsContact OE1-CG2 3.26Å; E821-V888 WeakPolarHBondContact OE1-CG2 3.29Å; E821-V888 PolarHBondContact OE1-N 3.26Å; E821-V888 WeakPolarHBondContact OE2-CB 3.31Å; E821-V888 WeakPolarHBondContact OE2-CG2 3.36Å | ||
| 822 | L | 36.8 | Very low | 39.1 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | trans | -61.6 | 96.2 | 170.7 | -70.6 | 164.1 | 0 | 0 | 0 | 107.9 | L797 S820 E824 | L797-L822 HydrophobicContact CD2-CD2 3.93Å; S820-L822 PolarHBondContact O-N 3.37Å; L822-E824 PolarHBondContact O-N 3.33Å | ||
| 823 | V | 38.5 | Very low | 42 | Very low | 85 Ų | 85 | 108.2 Ų | 108.2 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | trans | -59.5 | 100.9 | 169.1 | 179.8 | 0 | 0 | 0 | 0 | 107 | R795 E821 D825 | R795-V823 WeakPolarHBondContact CD-O 3.42Å; R795-V823 WeakPolarHBondContact CG-O 3.43Å; R795-V823 VanDerWaalsContact CZ-O 3.28Å; R795-V823 PolarHBondContact NE-O 3.03Å; E821-V823 VanDerWaalsContact C-N 3.34Å; E821-V823 PolarHBondContact O-N 2.67Å; V823-D825 PolarHBondContact O-N 3.33Å | ||
| 824 | E | 42.7 | Very low | 45.1 | Very low | 83 Ų | 83 | 98.9 Ų | 98.9 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | trans | -67.9 | 107.4 | 169.6 | -70.6 | -173.2 | -179.5 | 0 | 0 | 107.9 | T792 L822 E826 K884 | T792-E824 PolarHBondContact OG1-OE2 3.12Å; L822-E824 PolarHBondContact O-N 3.33Å; E824-E826 PolarHBondContact O-N 3.47Å; E824-K884 VanDerWaalsContact OE2-CE 3.29Å; E824-K884 WeakPolarHBondContact OE2-CE 3.47Å; E824-K884 IonicContact OE2-NZ 3.11Å; E824-K884 PolarHBondContact OE2-NZ 3.33Å | ||
| 825 | D | 41.5 | Very low | 48.2 | Very low | 64 Ų | 64 | 93 Ų | 93 | 34% | 0.342 | 53% | 0.525 | S | S | . | . | trans | -64.7 | 129.4 | 173 | -65.2 | -44.9 | 0 | 0 | 0 | 109.4 | R795 V823 I827 | R795-D825 IonicContact CZ-OD1 2.79Å; R795-D825 IonicContact CZ-OD2 2.95Å; R795-D825 VanDerWaalsContact CZ-OD2 3.27Å; R795-D825 IonicContact NE-OD1 2.82Å; R795-D825 IonicContact NE-OD2 3.51Å; R795-D825 PolarHBondContact NE-OD2 3.4Å; R795-D825 IonicContact NH2-OD1 3.41Å; R795-D825 PolarHBondContact NH2-OD1 2.88Å; R795-D825 IonicContact NH2-OD2 3.88Å; R795-D825 PolarHBondContact NH2-OD2 3Å; V823-D825 PolarHBondContact O-N 3.33Å; D825-I827 HydrophobicContact CB-CD1 4.17Å; D825-I827 HydrophobicContact CB-CG1 3.99Å; D825-I827 PolarHBondContact O-N 2.93Å | ||
| 826 | E | 42.7 | Very low | 51.1 | Low | 129 Ų | 129 | 90.3 Ų | 90.3 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | trans | -67.8 | 97.6 | 170.1 | -79.1 | -172.4 | 158.1 | 0 | 0 | 108.8 | E824 H897 | E824-E826 PolarHBondContact O-N 3.47Å; E826-H897 IonicContact OE2-CE1 3.06Å | ||
| 827 | I | 44.5 | Very low | 54.2 | Low | 92 Ų | 92 | 83.1 Ų | 83.1 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | trans | -120.4 | 76.2 | 174.7 | -46.5 | 171.4 | 0 | 0 | 0 | 108 | D825 | D825-I827 HydrophobicContact CB-CD1 4.17Å; D825-I827 HydrophobicContact CB-CG1 3.99Å; D825-I827 PolarHBondContact O-N 2.93Å | ||
| 828 | T | 47.7 | Very low | 57.3 | Low | 27 Ų | 27 | 78.5 Ų | 78.5 | 17% | 0.166 | 44% | 0.441 | C | S | . | . | trans | -129.3 | 116.7 | 153.3 | 6.1 | 0 | 0 | 0 | 0 | 107.5 | L791 T832 L837 H897 | L791-T828 PolarHBondContact O-OG1 2.99Å; T828-T832 HydrophobicContact CG2-CG2 4.19Å; T828-T832 WeakPolarHBondContact CG2-OG1 3.5Å; T828-L837 HydrophobicContact CG2-CD2 4.43Å; T828-H897 PolarHBondContact O-CD2 3.32Å; T828-H897 PolarHBondContact OG1-CD2 3.02Å | ||
| 829 | E | 53.1 | Low | 60.1 | Low | 162 Ų | 162 | 77.5 Ų | 77.5 | 76% | 0.757 | 43% | 0.431 | S | S | * | . | trans | -57.2 | 135.5 | 169.2 | -72.2 | -174.8 | 167.4 | 0 | 0 | 108.3 | G831 T832 | E829-G831 PolarHBondContact O-N 3.44Å; E829-G831 VanDerWaalsContact O-N 3.11Å; E829-T832 PolarHBondContact O-N 2.78Å; E829-T832 PolarHBondContact O-OG1 3.17Å | ||
| 830 | P | 53.3 | Low | 62.9 | Low | 127 Ų | 127 | 72.2 Ų | 72.2 | 83% | 0.825 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 121.3 | 178 | 19.6 | -29.2 | 0 | 0 | 0 | 109.7 | ||
| 831 | G | 61.4 | Low | 65.6 | Low | 53 Ų | 53 | 68.9 Ų | 68.9 | 55% | 0.546 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106 | 11.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | E829 D833 | E829-G831 PolarHBondContact O-N 3.44Å; E829-G831 VanDerWaalsContact O-N 3.11Å; G831-D833 PolarHBondContact O-N 3.48Å |
| 832 | T | 77.4 | Confident | 68 | Low | 30 Ų | 30 | 65.5 Ų | 65.5 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | trans | -59.8 | 133.4 | 174.5 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | T828 E829 T836 L837 H900 | T828-T832 HydrophobicContact CG2-CG2 4.19Å; T828-T832 WeakPolarHBondContact CG2-OG1 3.5Å; E829-T832 PolarHBondContact O-N 2.78Å; E829-T832 PolarHBondContact O-OG1 3.17Å; T832-T836 HydrophobicContact CG2-CG2 4.3Å; T832-L837 HydrophobicContact CG2-CD2 4.13Å; T832-L837 HydrophobicContact CG2-CG 4.1Å; T832-H900 PolarHBondContact O-N 3.29Å | ||
| 833 | D | 86.4 | Confident | 70.3 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -87.2 | 153.7 | -179 | 82.4 | 77.1 | 0 | 0 | 0 | 113.2 | G831 S835 T836 L837 | G831-D833 PolarHBondContact O-N 3.48Å; D833-S835 VanDerWaalsContact C-N 3.32Å; D833-S835 PolarHBondContact O-N 2.88Å; D833-S835 VanDerWaalsContact OD1-CA 3.22Å; D833-S835 WeakPolarHBondContact OD1-CA 3.46Å; D833-S835 WeakPolarHBondContact OD1-CB 3.35Å; D833-S835 PolarHBondContact OD1-N 3.42Å; D833-S835 PolarHBondContact OD1-OG 3.08Å; D833-T836 PolarHBondContact O-N 3.28Å; D833-T836 PolarHBondContact OD1-N 2.94Å; D833-T836 WeakPolarHBondContact OD2-CB 3.31Å; D833-T836 PolarHBondContact OD2-OG1 2.97Å; D833-L837 PolarHBondContact O-N 2.86Å |
| 834 | L | 91.6 | Very high | 72.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.2 | -37.6 | 179.7 | 179.3 | 63.5 | 0 | 0 | 0 | 114.2 | T836 L837 I838 I878 L880 H900 I901 L905 L993 Y995 | L834-T836 VanDerWaalsContact C-N 3.33Å; L834-L837 PolarHBondContact O-N 3.45Å; L834-I838 HydrophobicContact CD1-CD1 4.16Å; L834-I838 HydrophobicContact CD1-CG1 4.33Å; L834-I838 HydrophobicContact CD2-CD1 4.5Å; L834-I838 HydrophobicContact CG-CD1 3.92Å; L834-I838 HydrophobicContact CG-CG1 4.49Å; L834-I838 WeakPolarHBondContact O-CG1 3.38Å; L834-I838 PolarHBondContact O-N 2.87Å; L834-I878 HydrophobicContact CD1-CG2 4.34Å; L834-I878 HydrophobicContact CD2-CD1 4.42Å; L834-L880 HydrophobicContact CD1-CD2 3.79Å; L834-H900 PolarHBondContact N-O 3.1Å; L834-H900 VanDerWaalsContact N-O 3.1Å; L834-I901 HydrophobicContact CB-CD1 4.33Å; L834-I901 HydrophobicContact CD2-CD1 4.43Å; L834-I901 HydrophobicContact CD2-CG2 4.33Å; L834-L905 HydrophobicContact CD2-CD1 4.42Å; L834-L905 HydrophobicContact CD2-CD2 4.23Å; L834-L905 HydrophobicContact CG-CD1 4.48Å; L834-L993 HydrophobicContact CD1-CD1 4.19Å; L834-L993 HydrophobicContact CD2-CD1 3.47Å; L834-L993 VanDerWaalsContact CD2-CD1 3.47Å; L834-L993 HydrophobicContact CG-CD1 4.47Å; L834-Y995 HydrophobicContact CD2-CE2 3.83Å |
| 835 | S | 90.4 | Very high | 74.4 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | -178.5 | -35.5 | 0 | 0 | 0 | 0 | 110.2 | D833 L837 I838 Q839 L905 | D833-S835 VanDerWaalsContact C-N 3.32Å; D833-S835 PolarHBondContact O-N 2.88Å; D833-S835 VanDerWaalsContact OD1-CA 3.22Å; D833-S835 WeakPolarHBondContact OD1-CA 3.46Å; D833-S835 WeakPolarHBondContact OD1-CB 3.35Å; D833-S835 PolarHBondContact OD1-N 3.42Å; D833-S835 PolarHBondContact OD1-OG 3.08Å; S835-L837 VanDerWaalsContact C-N 3.34Å; S835-L837 PolarHBondContact O-N 3.2Å; S835-I838 PolarHBondContact O-N 2.71Å; S835-Q839 WeakPolarHBondContact O-CB 3.41Å; S835-Q839 PolarHBondContact O-N 3.43Å; S835-L905 WeakPolarHBondContact OG-CD1 3.24Å |
| 836 | T | 88.4 | Confident | 76.4 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | T832 D833 L834 T840 | T832-T836 HydrophobicContact CG2-CG2 4.3Å; D833-T836 PolarHBondContact O-N 3.28Å; D833-T836 PolarHBondContact OD1-N 2.94Å; D833-T836 WeakPolarHBondContact OD2-CB 3.31Å; D833-T836 PolarHBondContact OD2-OG1 2.97Å; L834-T836 VanDerWaalsContact C-N 3.33Å; T836-T840 VanDerWaalsContact O-CB 3.28Å; T836-T840 WeakPolarHBondContact O-CB 3.42Å; T836-T840 PolarHBondContact O-N 2.9Å; T836-T840 PolarHBondContact O-OG1 3.17Å |
| 837 | L | 90 | Very high | 78.4 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.5 | -69.5 | 170.3 | 0 | 0 | 0 | 112.4 | V789 L791 T828 T832 D833 L834 S835 T840 H841 V899 | V789-L837 HydrophobicContact CG1-CB 3.75Å; L791-L837 HydrophobicContact CD2-CD1 3.6Å; L791-L837 HydrophobicContact CD2-CD2 4.44Å; T828-L837 HydrophobicContact CG2-CD2 4.43Å; T832-L837 HydrophobicContact CG2-CD2 4.13Å; T832-L837 HydrophobicContact CG2-CG 4.1Å; D833-L837 PolarHBondContact O-N 2.86Å; L834-L837 PolarHBondContact O-N 3.45Å; S835-L837 VanDerWaalsContact C-N 3.34Å; S835-L837 PolarHBondContact O-N 3.2Å; L837-T840 PolarHBondContact O-N 3.49Å; L837-H841 WeakPolarHBondContact O-CB 3.38Å; L837-H841 PolarHBondContact O-N 3.27Å; L837-V899 HydrophobicContact CD1-CG1 3.59Å; L837-V899 HydrophobicContact CD1-CG2 4.05Å |
| 838 | I | 91.2 | Very high | 80 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 177.8 | -68.2 | 167.3 | 0 | 0 | 0 | 110.5 | V789 L834 S835 T840 H841 F842 I878 L905 V907 | V789-I838 HydrophobicContact CG2-CG1 4.01Å; L834-I838 HydrophobicContact CD1-CD1 4.16Å; L834-I838 HydrophobicContact CD1-CG1 4.33Å; L834-I838 HydrophobicContact CD2-CD1 4.5Å; L834-I838 HydrophobicContact CG-CD1 3.92Å; L834-I838 HydrophobicContact CG-CG1 4.49Å; L834-I838 WeakPolarHBondContact O-CG1 3.38Å; L834-I838 PolarHBondContact O-N 2.87Å; S835-I838 PolarHBondContact O-N 2.71Å; I838-T840 VanDerWaalsContact C-N 3.33Å; I838-T840 PolarHBondContact O-N 3.22Å; I838-H841 PolarHBondContact O-N 3.2Å; I838-F842 HydrophobicContact CG2-CD2 3.9Å; I838-F842 HydrophobicContact CG2-CE2 4.06Å; I838-F842 VanDerWaalsContact O-CD2 3.3Å; I838-F842 WeakPolarHBondContact O-CD2 3.46Å; I838-F842 PolarHBondContact O-N 3.04Å; I838-F842 VanDerWaalsContact O-N 3.14Å; I838-I878 HydrophobicContact CD1-CD1 3.92Å; I838-L905 HydrophobicContact CD1-CD1 4.22Å; I838-L905 HydrophobicContact CD1-CD2 3.91Å; I838-V907 HydrophobicContact CG2-CG1 4.35Å |
| 839 | Q | 87.6 | Confident | 81.1 | Confident | 130 Ų | 130 | 63.2 Ų | 63.2 | 61% | 0.607 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.1 | -48.5 | 179.1 | -175 | 170.9 | 1.6 | 0 | 0 | 110.4 | S835 H841 F842 T843 | S835-Q839 WeakPolarHBondContact O-CB 3.41Å; S835-Q839 PolarHBondContact O-N 3.43Å; Q839-H841 VanDerWaalsContact C-N 3.31Å; Q839-H841 PolarHBondContact O-N 2.99Å; Q839-F842 PolarHBondContact O-N 3.44Å; Q839-T843 HydrophobicContact CG-CG2 4.4Å; Q839-T843 WeakPolarHBondContact O-CG2 3.43Å; Q839-T843 PolarHBondContact O-N 3.25Å; Q839-T843 PolarHBondContact O-OG1 2.83Å |
| 840 | T | 86.3 | Confident | 82.1 | Confident | 62 Ų | 62 | 59 Ų | 59 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | T836 L837 I838 F842 T843 R844 | T836-T840 VanDerWaalsContact O-CB 3.28Å; T836-T840 WeakPolarHBondContact O-CB 3.42Å; T836-T840 PolarHBondContact O-N 2.9Å; T836-T840 PolarHBondContact O-OG1 3.17Å; L837-T840 PolarHBondContact O-N 3.49Å; I838-T840 VanDerWaalsContact C-N 3.33Å; I838-T840 PolarHBondContact O-N 3.22Å; T840-F842 PolarHBondContact O-N 3.43Å; T840-T843 PolarHBondContact O-N 3.18Å; T840-T843 PolarHBondContact O-OG1 3.25Å; T840-R844 VanDerWaalsContact O-CB 3.29Å; T840-R844 WeakPolarHBondContact O-CB 3.43Å; T840-R844 PolarHBondContact O-N 3.45Å; T840-R844 VanDerWaalsContact O-N 3.14Å |
| 841 | H | 88.3 | Confident | 83.4 | Confident | 30 Ų | 30 | 56 Ų | 56 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | -180 | -179 | -112 | 0 | 0 | 0 | 112.8 | P790 L837 I838 Q839 | P790-H841 WeakPolarHBondContact CD-CD2 3.35Å; P790-H841 VanDerWaalsContact CG-CD2 3.41Å; P790-H841 WeakPolarHBondContact CG-CD2 3.39Å; L837-H841 WeakPolarHBondContact O-CB 3.38Å; L837-H841 PolarHBondContact O-N 3.27Å; I838-H841 PolarHBondContact O-N 3.2Å; Q839-H841 VanDerWaalsContact C-N 3.31Å; Q839-H841 PolarHBondContact O-N 2.99Å |
| 842 | F | 88.8 | Confident | 84.2 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -87.1 | -6 | -178.4 | -69.4 | -70.7 | 0 | 0 | 0 | 114.7 | L787 I838 Q839 T840 L867 L869 | L787-F842 HydrophobicContact CD2-CZ 3.87Å; I838-F842 HydrophobicContact CG2-CD2 3.9Å; I838-F842 HydrophobicContact CG2-CE2 4.06Å; I838-F842 VanDerWaalsContact O-CD2 3.3Å; I838-F842 WeakPolarHBondContact O-CD2 3.46Å; I838-F842 PolarHBondContact O-N 3.04Å; I838-F842 VanDerWaalsContact O-N 3.14Å; Q839-F842 PolarHBondContact O-N 3.44Å; T840-F842 PolarHBondContact O-N 3.43Å; F842-L867 CarbonylContact C-O 3.47Å; F842-L867 HydrophobicContact CD1-CB 4.02Å; F842-L867 HydrophobicContact CE1-CB 4.29Å; F842-L869 HydrophobicContact CD1-CB 4.25Å; F842-L869 HydrophobicContact CE1-CB 4.29Å; F842-L869 HydrophobicContact CE1-CD1 4.09Å; F842-L869 HydrophobicContact CE2-CD1 4.33Å; F842-L869 HydrophobicContact CE2-CD2 4.45Å; F842-L869 HydrophobicContact CG-CB 4.42Å; F842-L869 HydrophobicContact CZ-CB 4.49Å; F842-L869 HydrophobicContact CZ-CD1 3.81Å |
| 843 | T | 84.1 | Confident | 84.5 | Confident | 101 Ų | 101 | 60.4 Ų | 60.4 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -97.5 | -9.8 | 169.5 | 55.3 | 0 | 0 | 0 | 0 | 113 | Q839 T840 | Q839-T843 HydrophobicContact CG-CG2 4.4Å; Q839-T843 WeakPolarHBondContact O-CG2 3.43Å; Q839-T843 PolarHBondContact O-N 3.25Å; Q839-T843 PolarHBondContact O-OG1 2.83Å; T840-T843 PolarHBondContact O-N 3.18Å; T840-T843 PolarHBondContact O-OG1 3.25Å |
| 844 | R | 83.6 | Confident | 84.4 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | trans | -77 | 145.6 | -173.5 | -176.6 | 176 | -172.2 | 157.7 | 9 | 112.7 | P794 T840 | P794-R844 VanDerWaalsContact CB-NH2 3.27Å; P794-R844 VanDerWaalsContact CG-CZ 3.44Å; P794-R844 VanDerWaalsContact N-NH2 3.16Å; P794-R844 PolarHBondContact O-NH2 3.26Å; T840-R844 VanDerWaalsContact O-CB 3.29Å; T840-R844 WeakPolarHBondContact O-CB 3.43Å; T840-R844 PolarHBondContact O-N 3.45Å; T840-R844 VanDerWaalsContact O-N 3.14Å | ||
| 845 | I | 83.9 | Confident | 84 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.1 | 165.3 | -57.8 | 175.3 | 0 | 0 | 0 | 108.9 | A864 R865 | I845-A864 HydrophobicContact CG2-CB 3.63Å; I845-R865 CarbonylContact C-O 3.56Å; I845-R865 WeakPolarHBondContact CA-O 3.46Å |
| 846 | E | 83.4 | Confident | 83.5 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.6 | 176.6 | -63.9 | -173.6 | 161.9 | 0 | 0 | 110.9 | A864 R865 | E846-A864 CarbonylContact O-C 3.57Å; E846-A864 WeakPolarHBondContact O-CA 3.42Å; E846-R865 HydrophobicContact CB-CB 4.41Å; E846-R865 PolarHBondContact N-O 3.2Å; E846-R865 PolarHBondContact O-N 3.11Å |
| 847 | H | 84.4 | Confident | 83.1 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 38% | 0.38 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.3 | 177.5 | -68.5 | 97.4 | 0 | 0 | 0 | 110.4 | A849 V862 | H847-A849 PolarHBondContact O-N 3.3Å; H847-V862 HydrophobicContact CB-CG1 3.83Å |
| 848 | V | 78.9 | Confident | 82.5 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | trans | -75.9 | 118.3 | -178.5 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | S850 V862 Q863 R865 | V848-S850 PolarHBondContact O-N 3.02Å; V848-V862 WeakPolarHBondContact O-CG1 3.4Å; V848-Q863 HydrophobicContact CB-CB 4.27Å; V848-Q863 HydrophobicContact CG2-CB 4.04Å; V848-Q863 WeakPolarHBondContact CG2-O 3.38Å; V848-Q863 PolarHBondContact N-O 3.48Å; V848-R865 HydrophobicContact CG2-CG 3.77Å; V848-R865 VanDerWaalsContact CG2-NE 3.33Å | ||
| 849 | A | 69.8 | Low | 81.7 | Confident | 93 Ų | 93 | 72.1 Ų | 72.1 | 77% | 0.769 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -52.6 | -26.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | H847 | H847-A849 PolarHBondContact O-N 3.3Š|
| 850 | S | 74.9 | Confident | 81.5 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -91.2 | 123.8 | 177.7 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | V848 | V848-S850 PolarHBondContact O-N 3.02Š|
| 851 | S | 80.1 | Confident | 81.2 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | trans | -73.9 | 138.5 | 170 | 70.8 | 0 | 0 | 0 | 0 | 111 | T861 | S851-T861 WeakPolarHBondContact CA-O 3.17Š| ||
| 852 | T | 79.8 | Confident | 81 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.4 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 110 | C854 H860 T861 Q863 | T852-C854 PolarHBondContact O-N 3.13Å; T852-H860 WeakPolarHBondContact O-CA 3.49Å; T852-T861 PolarHBondContact N-O 3.05Å; T852-T861 PolarHBondContact O-N 3.41Å; T852-T861 VanDerWaalsContact O-O 3.07Å; T852-Q863 PolarHBondContact OG1-NE2 3.23Å |
| 853 | K | 83.2 | Confident | 80.8 | Confident | 141 Ų | 141 | 70 Ų | 70 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.4 | 176.1 | -167.1 | 178.5 | 179.3 | -179.4 | 0 | 109.1 | G858 | K853-G858 WeakPolarHBondContact CE-O 3.45Å; K853-G858 VanDerWaalsContact CG-O 3.31Å; K853-G858 WeakPolarHBondContact CG-O 3.38Å |
| 854 | C | 83.2 | Confident | 81 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | trans | -67.2 | 132.2 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | C770 C773 T852 S856 C857 G858 K859 T861 | C770-C854 HydrophobicContact CB-CB 4.45Å; C770-C854 VanDerWaalsContact SG-SG 3.63Å; C773-C854 VanDerWaalsContact SG-SG 3.68Å; T852-C854 PolarHBondContact O-N 3.13Å; C854-S856 VanDerWaalsContact C-N 3.28Å; C854-S856 PolarHBondContact O-N 3.36Å; C854-S856 PolarHBondContact SG-N 3.41Å; C854-S856 VanDerWaalsContact SG-N 3.41Å; C854-C857 WeakPolarHBondContact CB-SG 3.39Å; C854-C857 VanDerWaalsContact SG-SG 3.65Å; C854-G858 WeakPolarHBondContact O-CA 3.48Å; C854-G858 PolarHBondContact O-N 3.01Å; C854-K859 PolarHBondContact N-O 3.26Å; C854-T861 HydrophobicContact CB-CG2 4.05Å | ||
| 855 | E | 83.3 | Confident | 81.2 | Confident | 142 Ų | 142 | 67.6 Ų | 67.6 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -24.6 | 178 | 62.1 | -170.3 | -169.7 | 0 | 0 | 113.9 | H775 | H775-E855 IonicContact CD2-OE1 3.66Å; H775-E855 PolarHBondContact CD2-OE1 3.44Å; H775-E855 IonicContact CE1-OE1 3.3Å; H775-E855 IonicContact NE2-OE1 3.65Å; H775-E855 PolarHBondContact NE2-OE1 3.3Å |
| 856 | S | 79.8 | Confident | 81.5 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -56 | -178.8 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | C854 | C854-S856 VanDerWaalsContact C-N 3.28Å; C854-S856 PolarHBondContact O-N 3.36Å; C854-S856 PolarHBondContact SG-N 3.41Å; C854-S856 VanDerWaalsContact SG-N 3.41Å |
| 857 | C | 80.7 | Confident | 81.9 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8.1 | -177.2 | 70.8 | 0 | 0 | 0 | 0 | 114.4 | C773 C854 K859 | C773-C857 HydrophobicContact CB-CB 3.9Å; C854-C857 WeakPolarHBondContact CB-SG 3.39Å; C854-C857 VanDerWaalsContact SG-SG 3.65Å; C857-K859 PolarHBondContact O-N 2.85Å |
| 858 | G | 76.5 | Confident | 82.1 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | trans | 69.9 | -5.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K853 C854 | K853-G858 WeakPolarHBondContact CE-O 3.45Å; K853-G858 VanDerWaalsContact CG-O 3.31Å; K853-G858 WeakPolarHBondContact CG-O 3.38Å; C854-G858 WeakPolarHBondContact O-CA 3.48Å; C854-G858 PolarHBondContact O-N 3.01Å | ||
| 859 | K | 75.2 | Confident | 82.7 | Confident | 112 Ų | 112 | 59.8 Ų | 59.8 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | trans | -74.2 | 145.4 | 177.9 | -59.4 | -174.2 | -172.9 | -178 | 0 | 111.2 | E772 C854 C857 T861 | E772-K859 HydrophobicContact CB-CD 4.38Å; E772-K859 HydrophobicContact CG-CD 4.2Å; E772-K859 IonicContact OE2-NZ 3.63Å; E772-K859 PolarHBondContact OE2-NZ 3.12Å; C854-K859 PolarHBondContact N-O 3.26Å; C857-K859 PolarHBondContact O-N 2.85Å; K859-T861 PolarHBondContact O-N 3.08Å | ||
| 860 | H | 83.3 | Confident | 83.6 | Confident | 138 Ų | 138 | 56.8 Ų | 56.8 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 115.6 | 165 | -85.7 | -98.9 | 0 | 0 | 0 | 109.1 | T852 | T852-H860 WeakPolarHBondContact O-CA 3.49Å |
| 861 | T | 80 | Confident | 84.3 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 160.8 | -174.3 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | C770 E772 S851 T852 C854 K859 | C770-T861 WeakPolarHBondContact SG-CG2 3.27Å; E772-T861 HydrophobicContact CG-CG2 4.34Å; E772-T861 VanDerWaalsContact CG-OG1 3.3Å; E772-T861 WeakPolarHBondContact CG-OG1 3.41Å; S851-T861 WeakPolarHBondContact CA-O 3.17Å; T852-T861 PolarHBondContact N-O 3.05Å; T852-T861 PolarHBondContact O-N 3.41Å; T852-T861 VanDerWaalsContact O-O 3.07Å; C854-T861 HydrophobicContact CB-CG2 4.05Å; K859-T861 PolarHBondContact O-N 3.08Å |
| 862 | V | 84.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -76 | 142 | 172.3 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | V771 Y799 H847 V848 | V771-V862 WeakPolarHBondContact CB-O 3.33Å; V771-V862 WeakPolarHBondContact CG2-O 3.42Å; V771-V862 PolarHBondContact N-O 2.88Å; Y799-V862 HydrophobicContact CE2-CG2 3.71Å; Y799-V862 WeakPolarHBondContact OH-CG2 3.32Å; H847-V862 HydrophobicContact CB-CG1 3.83Å; V848-V862 WeakPolarHBondContact O-CG1 3.4Å |
| 863 | Q | 84.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139.7 | 175 | -67.2 | -177 | -15.4 | 0 | 0 | 110.1 | T768 S769 V848 T852 | T768-Q863 HydrophobicContact CG2-CB 3.93Å; T768-Q863 HydrophobicContact CG2-CG 4.4Å; S769-Q863 CarbonylContact O-C 3.55Å; S769-Q863 WeakPolarHBondContact O-CA 3.44Å; V848-Q863 HydrophobicContact CB-CB 4.27Å; V848-Q863 HydrophobicContact CG2-CB 4.04Å; V848-Q863 WeakPolarHBondContact CG2-O 3.38Å; V848-Q863 PolarHBondContact N-O 3.48Å; T852-Q863 PolarHBondContact OG1-NE2 3.23Å |
| 864 | A | 87.1 | Confident | 86 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T768 S769 V771 I845 E846 | T768-A864 CarbonylContact C-O 3.46Å; T768-A864 VanDerWaalsContact CA-O 3.28Å; T768-A864 WeakPolarHBondContact CA-O 3.49Å; S769-A864 PolarHBondContact N-O 3.38Å; S769-A864 PolarHBondContact O-N 3.43Å; V771-A864 HydrophobicContact CG2-CB 3.89Å; I845-A864 HydrophobicContact CG2-CB 3.63Å; E846-A864 CarbonylContact O-C 3.57Å; E846-A864 WeakPolarHBondContact O-CA 3.42Å |
| 865 | R | 89.3 | Confident | 86.6 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137 | 175.3 | -73.5 | -177.7 | 179.6 | 167.4 | 4.7 | 110.1 | H767 T768 I845 E846 V848 | H767-R865 CarbonylContact O-C 3.5Å; H767-R865 VanDerWaalsContact O-CA 3.28Å; H767-R865 WeakPolarHBondContact O-CA 3.32Å; T768-R865 HydrophobicContact CG2-CG 3.97Å; I845-R865 CarbonylContact C-O 3.56Å; I845-R865 WeakPolarHBondContact CA-O 3.46Å; E846-R865 HydrophobicContact CB-CB 4.41Å; E846-R865 PolarHBondContact N-O 3.2Å; E846-R865 PolarHBondContact O-N 3.11Å; V848-R865 HydrophobicContact CG2-CG 3.77Å; V848-R865 VanDerWaalsContact CG2-NE 3.33Å |
| 866 | S | 90.1 | Very high | 87.2 | Confident | 27 Ų | 27 | 43.2 Ų | 43.2 | 19% | 0.189 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.4 | 172.5 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | R766 H767 | R766-S866 WeakPolarHBondContact CA-O 3.45Å; H767-S866 PolarHBondContact N-O 2.84Å; H767-S866 PolarHBondContact O-N 3.44Å |
| 867 | L | 90.7 | Very high | 88 | Confident | 35 Ų | 35 | 39.7 Ų | 39.7 | 18% | 0.183 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.9 | 178.8 | -64.7 | 174.7 | 0 | 0 | 0 | 109.3 | M764 L765 R766 F842 | M764-L867 HydrophobicContact SD-CD1 4.41Å; M764-L867 HydrophobicContact SD-CD2 4.09Å; L765-L867 WeakPolarHBondContact O-CA 3.34Å; R766-L867 HydrophobicContact CB-CD2 3.77Å; R766-L867 HydrophobicContact CG-CD2 3.84Å; F842-L867 CarbonylContact C-O 3.47Å; F842-L867 HydrophobicContact CD1-CB 4.02Å; F842-L867 HydrophobicContact CE1-CB 4.29Å |
| 868 | K | 89.9 | Confident | 88.8 | Confident | 55 Ų | 55 | 37.6 Ų | 37.6 | 24% | 0.239 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.5 | 171.8 | -72.3 | -174.6 | 170 | -179.2 | 0 | 110.5 | M764 L765 Y917 | M764-K868 CarbonylContact C-O 3.58Å; M764-K868 VanDerWaalsContact CA-O 3.32Å; M764-K868 WeakPolarHBondContact CA-O 3.42Å; L765-K868 HydrophobicContact CB-CB 4.42Å; L765-K868 PolarHBondContact N-O 2.81Å; L765-K868 PolarHBondContact O-N 2.92Å; K868-Y917 WeakPolarHBondContact CE-OH 3.49Å; K868-Y917 PolarHBondContact NZ-OH 3.08Å |
| 869 | L | 90.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.4 | 176.6 | -161.1 | 67.2 | 0 | 0 | 0 | 110.5 | F784 L787 F842 L872 V907 V909 S910 | F784-L869 HydrophobicContact CE1-CD1 3.83Å; F784-L869 HydrophobicContact CZ-CD1 3.71Å; L787-L869 HydrophobicContact CD2-CD1 4.16Å; F842-L869 HydrophobicContact CD1-CB 4.25Å; F842-L869 HydrophobicContact CE1-CB 4.29Å; F842-L869 HydrophobicContact CE1-CD1 4.09Å; F842-L869 HydrophobicContact CE2-CD1 4.33Å; F842-L869 HydrophobicContact CE2-CD2 4.45Å; F842-L869 HydrophobicContact CG-CB 4.42Å; F842-L869 HydrophobicContact CZ-CB 4.49Å; F842-L869 HydrophobicContact CZ-CD1 3.81Å; L869-L872 HydrophobicContact CD1-CD2 4.26Å; L869-L872 HydrophobicContact CD2-CD1 3.8Å; L869-L872 HydrophobicContact CD2-CD2 4.1Å; L869-L872 HydrophobicContact CD2-CG 3.91Å; L869-L872 HydrophobicContact CG-CD2 4.49Å; L869-L872 HydrophobicContact CG-CG 4.36Å; L869-V907 HydrophobicContact CD2-CG1 3.64Å; L869-V909 HydrophobicContact CD2-CG2 4.46Å; L869-V909 WeakPolarHBondContact O-CG1 3.36Å; L869-S910 PolarHBondContact O-N 3.36Å |
| 870 | Q | 89.1 | Confident | 90.7 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 14% | 0.14 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -40.8 | -176.6 | -73.2 | -171.4 | -49.6 | 0 | 0 | 113.7 | T763 L765 V909 N913 | T763-Q870 PolarHBondContact O-N 3.34Å; L765-Q870 HydrophobicContact CB-CG 4.02Å; Q870-V909 WeakPolarHBondContact O-CG1 3.49Å; Q870-N913 PolarHBondContact NE2-OD1 3.46Å |
| 871 | Q | 90.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 27 Ų | 27 | 49% | 0.491 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137 | 179 | -167 | 178.4 | -1.8 | 0 | 0 | 110.9 | G762 T763 | G762-Q871 CarbonylContact C-O 3.51Å; G762-Q871 WeakPolarHBondContact CA-O 3.31Å; T763-Q871 PolarHBondContact N-O 3.04Å; T763-Q871 PolarHBondContact O-N 3.46Å; T763-Q871 WeakPolarHBondContact OG1-CB 3.43Å |
| 872 | L | 91.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | trans | -115.6 | 152.3 | 166.2 | -70.7 | 170.5 | 0 | 0 | 0 | 109.4 | F784 L787 L869 V876 V907 V909 R936 Y938 | F784-L872 HydrophobicContact CE2-CD2 4.17Å; F784-L872 HydrophobicContact CZ-CD2 3.83Å; L787-L872 HydrophobicContact CD1-CD2 4.06Å; L869-L872 HydrophobicContact CD1-CD2 4.26Å; L869-L872 HydrophobicContact CD2-CD1 3.8Å; L869-L872 HydrophobicContact CD2-CD2 4.1Å; L869-L872 HydrophobicContact CD2-CG 3.91Å; L869-L872 HydrophobicContact CG-CD2 4.49Å; L869-L872 HydrophobicContact CG-CG 4.36Å; L872-V876 HydrophobicContact CB-CG2 4.21Å; L872-V876 HydrophobicContact CD1-CG2 4.39Å; L872-V876 HydrophobicContact CD2-CG1 4.06Å; L872-V876 HydrophobicContact CD2-CG2 3.95Å; L872-V876 HydrophobicContact CG-CG2 4.43Å; L872-V907 HydrophobicContact CD1-CB 4.04Å; L872-V907 HydrophobicContact CD1-CG1 3.87Å; L872-V909 HydrophobicContact CD1-CG2 4.17Å; L872-R936 PolarHBondContact O-NH1 3.46Å; L872-Y938 WeakPolarHBondContact CB-OH 3.5Å; L872-Y938 HydrophobicContact CD1-CE2 4.02Å | ||
| 873 | S | 92.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | trans | -89.3 | -177.7 | 172.5 | 44.5 | 0 | 0 | 0 | 0 | 111.4 | L759 F760 G761 H875 Y938 | L759-S873 WeakPolarHBondContact O-CB 3.48Å; L759-S873 PolarHBondContact O-OG 3.15Å; F760-S873 VanDerWaalsContact CA-OG 3.29Å; F760-S873 WeakPolarHBondContact CA-OG 3.47Å; F760-S873 PolarHBondContact O-OG 2.88Å; G761-S873 PolarHBondContact N-OG 3.29Å; G761-S873 WeakPolarHBondContact O-CB 3.45Å; G761-S873 PolarHBondContact O-N 2.95Å; G761-S873 PolarHBondContact O-OG 3.01Å; S873-H875 PolarHBondContact O-N 2.84Å; S873-H875 PolarHBondContact OG-O 3.24Å; S873-H875 VanDerWaalsContact OG-O 3.11Å; S873-Y938 WeakPolarHBondContact O-CE1 3.42Å; S873-Y938 PolarHBondContact O-OH 2.76Å | ||
| 874 | S | 93 | Very high | 91.8 | Very high | 41 Ų | 41 | 28 Ų | 28 | 29% | 0.287 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -64.8 | -26.2 | 177.7 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | S996 Q997 | S874-S996 CarbonylContact O-C 3.58Å; S874-S996 WeakPolarHBondContact O-CA 3.45Å; S874-Q997 WeakPolarHBondContact O-CB 3.34Å; S874-Q997 PolarHBondContact O-N 3.13Å |
| 875 | H | 96.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.3 | 177.9 | -61.3 | 69.7 | 0 | 0 | 0 | 109.3 | C552 L759 F760 S873 L994 Y995 | C552-H875 PolarHBondContact SG-CD2 3.4Å; L759-H875 WeakPolarHBondContact O-CA 3.47Å; L759-H875 WeakPolarHBondContact O-CB 3.27Å; L759-H875 PolarHBondContact O-N 2.72Å; L759-H875 VanDerWaalsContact O-O 3.05Å; F760-H875 WeakPolarHBondContact CA-O 3.44Å; F760-H875 HydrophobicContact CD1-CB 3.79Å; F760-H875 HydrophobicContact CE1-CB 3.8Å; S873-H875 PolarHBondContact O-N 2.84Å; S873-H875 PolarHBondContact OG-O 3.24Å; S873-H875 VanDerWaalsContact OG-O 3.11Å; H875-L994 HydrophobicContact CB-CD1 4.15Å; H875-Y995 CarbonylContact C-O 3.51Å; H875-Y995 WeakPolarHBondContact CA-O 3.49Å |
| 876 | V | 95.7 | Very high | 90.8 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.1 | -175.8 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | L787 L872 I878 Y938 Y995 | L787-V876 HydrophobicContact CD1-CG1 3.95Å; L872-V876 HydrophobicContact CB-CG2 4.21Å; L872-V876 HydrophobicContact CD1-CG2 4.39Å; L872-V876 HydrophobicContact CD2-CG1 4.06Å; L872-V876 HydrophobicContact CD2-CG2 3.95Å; L872-V876 HydrophobicContact CG-CG2 4.43Å; V876-I878 HydrophobicContact CG1-CD1 4.22Å; V876-I878 HydrophobicContact CG1-CG1 3.8Å; V876-Y938 HydrophobicContact CG2-CD1 3.96Å; V876-Y938 HydrophobicContact CG2-CE1 3.44Å; V876-Y938 VanDerWaalsContact CG2-CE1 3.44Å; V876-Y938 HydrophobicContact CG2-CE2 4.42Å; V876-Y995 PolarHBondContact N-O 3.11Å; V876-Y995 PolarHBondContact O-N 2.88Å |
| 877 | L | 97.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.8 | 168.9 | -69.7 | 169.2 | 0 | 0 | 0 | 109.3 | L548 L671 L675 F760 I785 C786 L787 L993 L994 | L548-L877 HydrophobicContact CD2-CD2 3.8Å; L671-L877 HydrophobicContact CD2-CD1 4.06Å; L671-L877 HydrophobicContact CD2-CD2 4.14Å; L675-L877 HydrophobicContact CD1-CD1 3.67Å; F760-L877 HydrophobicContact CD1-CD1 4.03Å; F760-L877 HydrophobicContact CD1-CG 4.1Å; F760-L877 HydrophobicContact CG-CD1 4.27Å; I785-L877 HydrophobicContact CG2-CD1 4.29Å; C786-L877 HydrophobicContact CB-CB 4.15Å; L787-L877 PolarHBondContact N-O 3.08Å; L877-L993 CarbonylContact C-O 3.57Å; L877-L993 WeakPolarHBondContact CA-O 3.44Å; L877-L994 HydrophobicContact CD2-CB 4.28Å; L877-L994 HydrophobicContact CD2-CD1 3.85Å; L877-L994 HydrophobicContact CG-CD1 4.43Å |
| 878 | I | 97.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 114.1 | 179.6 | -51.1 | 176.7 | 0 | 0 | 0 | 108.8 | L787 V789 L834 I838 V876 L905 L992 L993 Y995 | L787-I878 HydrophobicContact CB-CG1 4.49Å; L787-I878 CarbonylContact O-C 3.5Å; L787-I878 WeakPolarHBondContact O-CA 3.48Å; V789-I878 HydrophobicContact CG2-CG2 3.7Å; L834-I878 HydrophobicContact CD1-CG2 4.34Å; L834-I878 HydrophobicContact CD2-CD1 4.42Å; I838-I878 HydrophobicContact CD1-CD1 3.92Å; V876-I878 HydrophobicContact CG1-CD1 4.22Å; V876-I878 HydrophobicContact CG1-CG1 3.8Å; I878-L905 HydrophobicContact CD1-CD2 3.63Å; I878-L992 CarbonylContact O-C 3.51Å; I878-L992 WeakPolarHBondContact O-CA 3.38Å; I878-L993 HydrophobicContact CB-CB 4.28Å; I878-L993 HydrophobicContact CB-CD1 4.47Å; I878-L993 PolarHBondContact N-O 3.48Å; I878-L993 PolarHBondContact O-N 2.97Å; I878-Y995 HydrophobicContact CD1-CD2 3.92Å; I878-Y995 HydrophobicContact CD1-CE2 4.23Å |
| 879 | C | 96.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.8 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | A668 L787 Y788 V789 Y991 L992 | A668-C879 HydrophobicContact CB-CB 4.46Å; L787-C879 PolarHBondContact O-N 3.39Å; Y788-C879 WeakPolarHBondContact CA-O 3.35Å; Y788-C879 HydrophobicContact CD1-CB 3.75Å; Y788-C879 HydrophobicContact CE1-CB 3.83Å; Y788-C879 HydrophobicContact CG-CB 4.33Å; V789-C879 PolarHBondContact N-O 3.43Å; C879-Y991 VanDerWaalsContact SG-CE2 3.58Å; C879-L992 HydrophobicContact CB-CD1 3.65Å |
| 880 | L | 94.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128.8 | 171.7 | -60.5 | -176.6 | 0 | 0 | 0 | 109.1 | V789 L791 L834 V882 V899 I901 Y991 | V789-L880 HydrophobicContact CB-CD2 4.12Å; V789-L880 HydrophobicContact CG1-CD2 4.5Å; L791-L880 HydrophobicContact CD1-CB 4.48Å; L791-L880 HydrophobicContact CD2-CD2 4.35Å; L834-L880 HydrophobicContact CD1-CD2 3.79Å; L880-V882 HydrophobicContact CB-CG1 4.02Å; L880-V882 PolarHBondContact O-N 2.93Å; L880-V899 HydrophobicContact CD1-CB 4.3Å; L880-V899 HydrophobicContact CD1-CG1 4.35Å; L880-V899 HydrophobicContact CD1-CG2 4.37Å; L880-I901 HydrophobicContact CD1-CD1 4.22Å; L880-Y991 PolarHBondContact N-O 3.29Å; L880-Y991 WeakPolarHBondContact O-CD2 3.26Å; L880-Y991 WeakPolarHBondContact O-CE2 3.47Å |
| 881 | N | 92 | Very high | 85.8 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 33% | 0.326 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 66.8 | 178.5 | -65.6 | -11.4 | 0 | 0 | 0 | 110.9 | Y788 V789 I895 | Y788-N881 WeakPolarHBondContact CD1-OD1 3.34Å; V789-N881 PolarHBondContact O-N 3.27Å; N881-I895 WeakPolarHBondContact O-CD1 3.45Å |
| 882 | V | 91.2 | Very high | 85.2 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | trans | -75.2 | -26.1 | 179.2 | -61.3 | 0 | 0 | 0 | 0 | 112 | L791 L880 K894 I895 Y991 | L791-V882 HydrophobicContact CD1-CB 4.45Å; L791-V882 HydrophobicContact CD1-CG1 3.69Å; L880-V882 HydrophobicContact CB-CG1 4.02Å; L880-V882 PolarHBondContact O-N 2.93Å; V882-K894 HydrophobicContact CB-CG 4.23Å; V882-K894 HydrophobicContact CG2-CG 4.34Å; V882-K894 CarbonylContact O-C 3.49Å; V882-K894 VanDerWaalsContact O-CA 3.29Å; V882-K894 WeakPolarHBondContact O-CA 3.47Å; V882-I895 WeakPolarHBondContact O-CG1 3.19Å; V882-I895 PolarHBondContact O-N 3.23Å; V882-Y991 HydrophobicContact CG2-CD2 3.44Å; V882-Y991 VanDerWaalsContact CG2-CD2 3.44Å; V882-Y991 HydrophobicContact CG2-CE2 3.79Å; V882-Y991 HydrophobicContact CG2-CG 4.35Å | ||
| 883 | F | 90.1 | Very high | 84.7 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.6 | 180 | -57.3 | -62 | 0 | 0 | 0 | 110.8 | S893 K894 H946 V951 Y991 | F883-S893 WeakPolarHBondContact CA-O 3.23Å; F883-K894 HydrophobicContact CD1-CB 4.08Å; F883-K894 HydrophobicContact CD1-CG 4.02Å; F883-K894 HydrophobicContact CE1-CB 4.22Å; F883-K894 HydrophobicContact CE1-CD 4Å; F883-K894 HydrophobicContact CE1-CG 3.9Å; F883-H946 AromaticContact CE1-CE1 3.73Å; F883-H946 AromaticContact CE1-ND1 3.65Å; F883-H946 AromaticContact CZ-CE1 3.74Å; F883-H946 AromaticContact CZ-CG 3.83Å; F883-H946 AromaticContact CZ-ND1 3.47Å; F883-H946 WeakPolarHBondContact CZ-ND1 3.47Å; F883-V951 HydrophobicContact CD1-CB 3.85Å; F883-V951 HydrophobicContact CD2-CB 4.1Å; F883-V951 HydrophobicContact CD2-CG2 4.1Å; F883-V951 HydrophobicContact CE1-CB 3.95Å; F883-V951 VanDerWaalsContact CE1-N 3.35Å; F883-V951 HydrophobicContact CE2-CB 4.21Å; F883-V951 HydrophobicContact CE2-CG2 4.03Å; F883-V951 HydrophobicContact CG-CB 3.92Å; F883-V951 HydrophobicContact CG-CG2 4.42Å; F883-V951 HydrophobicContact CZ-CB 4.12Å; F883-V951 HydrophobicContact CZ-CG2 4.26Å; F883-Y991 AromaticContact CD2-CE2 3.94Å; F883-Y991 HydrophobicContact CD2-CE2 3.94Å; F883-Y991 HydrophobicContact CE2-CD2 4.25Å; F883-Y991 HydrophobicContact CE2-CE1 4.1Å; F883-Y991 AromaticContact CE2-CE2 3.77Å; F883-Y991 HydrophobicContact CE2-CE2 3.77Å; F883-Y991 AromaticContact CE2-CZ 3.69Å |
| 884 | K | 82.7 | Confident | 84.4 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 21% | 0.213 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 148.1 | 175.5 | -77.3 | -176.5 | 155.4 | -163.8 | 0 | 110.2 | T792 E824 C892 S893 I895 | T792-K884 VanDerWaalsContact CG2-CE 3.44Å; T792-K884 VanDerWaalsContact OG1-CE 3.25Å; T792-K884 WeakPolarHBondContact OG1-CE 3.3Å; T792-K884 PolarHBondContact OG1-NZ 3.23Å; E824-K884 VanDerWaalsContact OE2-CE 3.29Å; E824-K884 WeakPolarHBondContact OE2-CE 3.47Å; E824-K884 IonicContact OE2-NZ 3.11Å; E824-K884 PolarHBondContact OE2-NZ 3.33Å; K884-C892 CarbonylContact O-C 3.54Å; K884-C892 WeakPolarHBondContact O-CA 3.35Å; K884-C892 PolarHBondContact O-SG 3.2Å; K884-S893 PolarHBondContact N-O 3.39Å; K884-S893 PolarHBondContact O-N 2.96Å; K884-I895 HydrophobicContact CD-CD1 3.83Å; K884-I895 HydrophobicContact CD-CG1 3.87Å; K884-I895 HydrophobicContact CG-CD1 3.97Å; K884-I895 HydrophobicContact CG-CG1 4.11Å |
| 885 | Y | 79.7 | Confident | 84 | Confident | 126 Ų | 126 | 47.7 Ų | 47.7 | 49% | 0.494 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.4 | 172.5 | -171.6 | -98.4 | 0 | 0 | 0 | 109.8 | R887 Q890 C892 | Y885-R887 HydrophobicContact CD1-CG 4.03Å; Y885-R887 HydrophobicContact CE1-CG 4.1Å; Y885-Q890 PolarHBondContact OH-OE1 2.89Å; Y885-C892 HydrophobicContact CD2-CB 4.39Å |
| 886 | S | 74.7 | Confident | 83.4 | Confident | 26 Ų | 26 | 50 Ų | 50 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118 | 170 | 171 | 0 | 0 | 0 | 0 | 108.9 | N889 Q890 T891 | S886-N889 PolarHBondContact OG-N 3.45Å; S886-N889 VanDerWaalsContact OG-N 3.16Å; S886-N889 PolarHBondContact OG-ND2 3.27Å; S886-Q890 VanDerWaalsContact O-CA 3.29Å; S886-Q890 WeakPolarHBondContact O-CA 3.01Å; S886-Q890 PolarHBondContact O-N 3.05Å; S886-T891 PolarHBondContact N-O 3.01Å; S886-T891 PolarHBondContact O-N 2.82Å |
| 887 | R | 71.4 | Confident | 82.4 | Confident | 187 Ų | 187 | 52.2 Ų | 52.2 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -34.2 | 176 | -71.7 | -173.6 | -178.1 | -174.4 | 3.2 | 111.8 | Y885 Q890 | Y885-R887 HydrophobicContact CD1-CG 4.03Å; Y885-R887 HydrophobicContact CE1-CG 4.1Å; R887-Q890 PolarHBondContact O-NE2 2.7Å |
| 888 | V | 65.9 | Low | 81.4 | Confident | 97 Ų | 97 | 58.4 Ų | 58.4 | 59% | 0.588 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -45.3 | 176.9 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | E821 | E821-V888 HydrophobicContact CB-CG2 4.32Å; E821-V888 HydrophobicContact CG-CG2 4.13Å; E821-V888 VanDerWaalsContact OE1-CG2 3.26Å; E821-V888 WeakPolarHBondContact OE1-CG2 3.29Å; E821-V888 PolarHBondContact OE1-N 3.26Å; E821-V888 WeakPolarHBondContact OE2-CB 3.31Å; E821-V888 WeakPolarHBondContact OE2-CG2 3.36Å |
| 889 | N | 64.4 | Low | 80.8 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 59% | 0.594 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -11 | -177.8 | -64.2 | -38.4 | 0 | 0 | 0 | 113.8 | S886 T891 | S886-N889 PolarHBondContact OG-N 3.45Å; S886-N889 VanDerWaalsContact OG-N 3.16Å; S886-N889 PolarHBondContact OG-ND2 3.27Å; N889-T891 HydrophobicContact CB-CG2 4.25Å; N889-T891 WeakPolarHBondContact CB-OG1 3.34Å; N889-T891 WeakPolarHBondContact O-CG2 3.43Å; N889-T891 PolarHBondContact O-N 3.41Å |
| 890 | Q | 74 | Confident | 80.4 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.9 | -170.2 | -61 | -71.5 | -46.3 | 0 | 0 | 111.6 | Y885 S886 R887 | Y885-Q890 PolarHBondContact OH-OE1 2.89Å; S886-Q890 VanDerWaalsContact O-CA 3.29Å; S886-Q890 WeakPolarHBondContact O-CA 3.01Å; S886-Q890 PolarHBondContact O-N 3.05Å; R887-Q890 PolarHBondContact O-NE2 2.7Å |
| 891 | T | 70.8 | Confident | 80.3 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.8 | -176.9 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | S886 N889 | S886-T891 PolarHBondContact N-O 3.01Å; S886-T891 PolarHBondContact O-N 2.82Å; N889-T891 HydrophobicContact CB-CG2 4.25Å; N889-T891 WeakPolarHBondContact CB-OG1 3.34Å; N889-T891 WeakPolarHBondContact O-CG2 3.43Å; N889-T891 PolarHBondContact O-N 3.41Å |
| 892 | C | 77.6 | Confident | 80.4 | Confident | 38 Ų | 38 | 62 Ų | 62 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133.8 | 164.7 | -173.4 | 0 | 0 | 0 | 0 | 110 | K884 Y885 V951 | K884-C892 CarbonylContact O-C 3.54Å; K884-C892 WeakPolarHBondContact O-CA 3.35Å; K884-C892 PolarHBondContact O-SG 3.2Å; Y885-C892 HydrophobicContact CD2-CB 4.39Å; C892-V951 HydrophobicContact CB-CG1 4.38Å |
| 893 | S | 80.6 | Confident | 80.4 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 159.4 | 171.8 | 60 | 0 | 0 | 0 | 0 | 110.1 | F883 K884 | F883-S893 WeakPolarHBondContact CA-O 3.23Å; K884-S893 PolarHBondContact N-O 3.39Å; K884-S893 PolarHBondContact O-N 2.96Å |
| 894 | K | 86.7 | Confident | 80.6 | Confident | 16 Ų | 16 | 72.2 Ų | 72.2 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.1 | 175.1 | -171.7 | -171.3 | 174.2 | -165.4 | 0 | 110.6 | V882 F883 M896 H946 G948 L949 L987 T989 | V882-K894 HydrophobicContact CB-CG 4.23Å; V882-K894 HydrophobicContact CG2-CG 4.34Å; V882-K894 CarbonylContact O-C 3.49Å; V882-K894 VanDerWaalsContact O-CA 3.29Å; V882-K894 WeakPolarHBondContact O-CA 3.47Å; F883-K894 HydrophobicContact CD1-CB 4.08Å; F883-K894 HydrophobicContact CD1-CG 4.02Å; F883-K894 HydrophobicContact CE1-CB 4.22Å; F883-K894 HydrophobicContact CE1-CD 4Å; F883-K894 HydrophobicContact CE1-CG 3.9Å; K894-M896 HydrophobicContact CB-SD 4.38Å; K894-M896 HydrophobicContact CD-SD 3.65Å; K894-M896 HydrophobicContact CG-SD 4.06Å; K894-M896 PolarHBondContact O-N 2.89Å; K894-H946 VanDerWaalsContact CE-ND1 3.33Å; K894-H946 WeakPolarHBondContact CE-ND1 3.41Å; K894-H946 PolarHBondContact NZ-ND1 3Å; K894-H946 VanDerWaalsContact NZ-ND1 3.19Å; K894-H946 PolarHBondContact NZ-O 3.33Å; K894-G948 WeakPolarHBondContact CD-O 3.27Å; K894-G948 PolarHBondContact NZ-O 2.99Å; K894-L949 WeakPolarHBondContact CB-O 3.49Å; K894-L949 PolarHBondContact N-O 2.81Å; K894-L949 VanDerWaalsContact N-O 3.09Å; K894-L987 PolarHBondContact NZ-O 3.28Å; K894-T989 WeakPolarHBondContact CE-OG1 3.38Å; K894-T989 PolarHBondContact NZ-OG1 3.44Å |
| 895 | I | 85.3 | Confident | 81.2 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | trans | -74.1 | 114.6 | 170.9 | -55.2 | 169.9 | 0 | 0 | 0 | 107.6 | L791 T792 N881 V882 K884 H897 | L791-I895 HydrophobicContact CB-CD1 3.88Å; L791-I895 HydrophobicContact CB-CG2 4.46Å; L791-I895 HydrophobicContact CD1-CB 4.35Å; L791-I895 HydrophobicContact CD1-CD1 4.35Å; L791-I895 HydrophobicContact CD1-CG2 4.19Å; T792-I895 HydrophobicContact CG2-CD1 4Å; N881-I895 WeakPolarHBondContact O-CD1 3.45Å; V882-I895 WeakPolarHBondContact O-CG1 3.19Å; V882-I895 PolarHBondContact O-N 3.23Å; K884-I895 HydrophobicContact CD-CD1 3.83Å; K884-I895 HydrophobicContact CD-CG1 3.87Å; K884-I895 HydrophobicContact CG-CD1 3.97Å; K884-I895 HydrophobicContact CG-CG1 4.11Å; I895-H897 VanDerWaalsContact C-N 3.33Å; I895-H897 HydrophobicContact CG2-CB 3.97Å | ||
| 896 | M | 82.2 | Confident | 81.8 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | trans | -92.5 | 9.6 | -177.5 | -62.1 | -59.1 | -67.5 | 0 | 0 | 113.4 | K894 R898 L987 T989 | K894-M896 HydrophobicContact CB-SD 4.38Å; K894-M896 HydrophobicContact CD-SD 3.65Å; K894-M896 HydrophobicContact CG-SD 4.06Å; K894-M896 PolarHBondContact O-N 2.89Å; M896-R898 PolarHBondContact O-N 2.78Å; M896-L987 HydrophobicContact CE-CD2 3.96Å; M896-T989 HydrophobicContact CE-CG2 4.25Å; M896-T989 HydrophobicContact SD-CG2 4.21Å | ||
| 897 | H | 75 | Confident | 82.5 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 26% | 0.259 | 32% | 0.323 | S | S | . | . | trans | -64.1 | 133.5 | -178.3 | -74.8 | 33.9 | 0 | 0 | 0 | 111.1 | E826 T828 I895 V899 | E826-H897 IonicContact OE2-CE1 3.06Å; T828-H897 PolarHBondContact O-CD2 3.32Å; T828-H897 PolarHBondContact OG1-CD2 3.02Å; I895-H897 VanDerWaalsContact C-N 3.33Å; I895-H897 HydrophobicContact CG2-CB 3.97Å; H897-V899 PolarHBondContact O-N 2.82Å | ||
| 898 | R | 76.9 | Confident | 83.3 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | trans | -75.9 | 110.9 | 178 | -72.9 | -170.3 | 171.2 | -165.4 | -8 | 110.2 | M896 Y983 S984 E985 | M896-R898 PolarHBondContact O-N 2.78Å; R898-Y983 PolarHBondContact NH1-O 2.91Å; R898-Y983 PolarHBondContact NH2-O 3.46Å; R898-S984 PolarHBondContact NH2-O 3.46Å; R898-E985 PolarHBondContact NH2-O 2.88Å | ||
| 899 | V | 85.2 | Confident | 84.2 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | trans | -95.4 | 125.2 | 170.4 | -176 | 0 | 0 | 0 | 0 | 108.8 | L791 L837 L880 H897 I901 | L791-V899 HydrophobicContact CD1-CG2 4.48Å; L791-V899 HydrophobicContact CD2-CG2 3.72Å; L837-V899 HydrophobicContact CD1-CG1 3.59Å; L837-V899 HydrophobicContact CD1-CG2 4.05Å; L880-V899 HydrophobicContact CD1-CB 4.3Å; L880-V899 HydrophobicContact CD1-CG1 4.35Å; L880-V899 HydrophobicContact CD1-CG2 4.37Å; H897-V899 PolarHBondContact O-N 2.82Å; V899-I901 HydrophobicContact CB-CD1 4.3Å; V899-I901 HydrophobicContact CG1-CD1 3.86Å; V899-I901 PolarHBondContact O-N 2.9Å | ||
| 900 | H | 88.2 | Confident | 84.8 | Confident | 106 Ų | 106 | 53 Ų | 53 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -76.9 | 123.6 | 174.6 | -173.8 | 67.6 | 0 | 0 | 0 | 110 | T832 L834 P902 | T832-H900 PolarHBondContact O-N 3.29Å; L834-H900 PolarHBondContact N-O 3.1Å; L834-H900 VanDerWaalsContact N-O 3.1Å; H900-P902 WeakPolarHBondContact O-CD 3.5Å |
| 901 | I | 92.8 | Very high | 84.2 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -103.1 | 108.8 | -178.9 | -48.2 | -54.9 | 0 | 0 | 0 | 108.5 | L834 L880 V899 L940 M943 Y983 P990 L993 Y995 | L834-I901 HydrophobicContact CB-CD1 4.33Å; L834-I901 HydrophobicContact CD2-CD1 4.43Å; L834-I901 HydrophobicContact CD2-CG2 4.33Å; L880-I901 HydrophobicContact CD1-CD1 4.22Å; V899-I901 HydrophobicContact CB-CD1 4.3Å; V899-I901 HydrophobicContact CG1-CD1 3.86Å; V899-I901 PolarHBondContact O-N 2.9Å; I901-L940 HydrophobicContact CG2-CD1 4.21Å; I901-L940 HydrophobicContact CG2-CD2 4.16Å; I901-M943 HydrophobicContact CB-CE 4.46Å; I901-M943 HydrophobicContact CG2-CE 4.35Å; I901-Y983 WeakPolarHBondContact CA-OH 3.04Å; I901-Y983 WeakPolarHBondContact CB-OH 3.34Å; I901-Y983 WeakPolarHBondContact CG1-OH 3.48Å; I901-Y983 PolarHBondContact N-OH 2.76Å; I901-Y983 PolarHBondContact O-OH 2.81Å; I901-P990 HydrophobicContact CD1-CB 4.1Å; I901-P990 HydrophobicContact CD1-CG 4.32Å; I901-P990 HydrophobicContact CG1-CB 3.78Å; I901-P990 HydrophobicContact CG1-CG 3.72Å; I901-L993 HydrophobicContact CD1-CD1 3.83Å; I901-L993 HydrophobicContact CD1-CD2 4.41Å; I901-L993 HydrophobicContact CG1-CD1 4.45Å; I901-L993 HydrophobicContact CG1-CD2 4.28Å; I901-L993 HydrophobicContact CG2-CD1 3.93Å; I901-L993 HydrophobicContact CG2-CD2 4.04Å; I901-Y995 WeakPolarHBondContact CG2-OH 3.31Å | ||
| 902 | P | 92.4 | Very high | 83.4 | Confident | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | trans | -74.8 | 138.8 | -177.8 | 31 | -34.8 | 0 | 0 | 0 | 111 | H900 R904 L905 Y995 | H900-P902 WeakPolarHBondContact O-CD 3.5Å; P902-R904 WeakPolarHBondContact CB-O 3.45Å; P902-R904 PolarHBondContact O-N 3.37Å; P902-L905 HydrophobicContact CG-CD1 4.24Å; P902-Y995 WeakPolarHBondContact O-CE1 3.34Å; P902-Y995 PolarHBondContact O-OH 2.94Å | ||
| 903 | E | 93 | Very high | 81.9 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -62.1 | -28.2 | 173.1 | -78.7 | -160.4 | -140.1 | 0 | 0 | 112.7 | S939 L940 K961 W966 L979 | E903-S939 CarbonylContact O-C 3.48Å; E903-S939 VanDerWaalsContact O-CA 3.27Å; E903-S939 WeakPolarHBondContact O-CA 3.47Å; E903-L940 PolarHBondContact O-N 3.5Å; E903-K961 IonicContact OE2-NZ 3.91Å; E903-K961 PolarHBondContact OE2-NZ 3.3Å; E903-W966 HydrophobicContact CG-CZ2 4.31Å; E903-L979 HydrophobicContact CG-CD1 3.46Å; E903-L979 VanDerWaalsContact CG-CD1 3.46Å; E903-L979 WeakPolarHBondContact OE1-CD1 3.11Å |
| 904 | R | 94.2 | Very high | 79.9 | Confident | 173 Ų | 173 | 57.4 Ų | 57.4 | 65% | 0.653 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.9 | 171.7 | -58.9 | -165.8 | 90.6 | 141.4 | 4 | 110.3 | P902 Y938 T998 | P902-R904 WeakPolarHBondContact CB-O 3.45Å; P902-R904 PolarHBondContact O-N 3.37Å; R904-Y938 CarbonylContact C-O 3.59Å; R904-Y938 VanDerWaalsContact CA-O 3.26Å; R904-Y938 WeakPolarHBondContact CA-O 3.33Å; R904-T998 PolarHBondContact NH2-OG1 3Å; R904-T998 VanDerWaalsContact NH2-OG1 3.11Å |
| 905 | L | 94.4 | Very high | 77.6 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.1 | -180 | 179.2 | 66.6 | 0 | 0 | 0 | 109.6 | L834 S835 I838 I878 P902 V907 T937 Y938 Y995 | L834-L905 HydrophobicContact CD2-CD1 4.42Å; L834-L905 HydrophobicContact CD2-CD2 4.23Å; L834-L905 HydrophobicContact CG-CD1 4.48Å; S835-L905 WeakPolarHBondContact OG-CD1 3.24Å; I838-L905 HydrophobicContact CD1-CD1 4.22Å; I838-L905 HydrophobicContact CD1-CD2 3.91Å; I878-L905 HydrophobicContact CD1-CD2 3.63Å; P902-L905 HydrophobicContact CG-CD1 4.24Å; L905-V907 HydrophobicContact CD2-CG2 3.85Å; L905-V907 HydrophobicContact CG-CG2 3.8Å; L905-T937 CarbonylContact O-C 3.52Å; L905-T937 WeakPolarHBondContact O-CA 3.48Å; L905-Y938 PolarHBondContact N-O 3.42Å; L905-Y938 PolarHBondContact O-N 3.42Å; L905-Y995 HydrophobicContact CB-CD1 3.84Å; L905-Y995 HydrophobicContact CB-CE1 3.47Å; L905-Y995 VanDerWaalsContact CB-CE1 3.47Å; L905-Y995 HydrophobicContact CD2-CD1 4.38Å; L905-Y995 HydrophobicContact CD2-CD2 4.14Å; L905-Y995 HydrophobicContact CD2-CE1 4.32Å; L905-Y995 HydrophobicContact CD2-CE2 4.04Å; L905-Y995 HydrophobicContact CD2-CG 4.3Å |
| 906 | S | 91.9 | Very high | 75.1 | Confident | 64 Ų | 64 | 67 Ų | 67 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.3 | 172.5 | -162 | 0 | 0 | 0 | 0 | 109.1 | S935 R936 | S906-S935 PolarHBondContact OG-OG 3.44Å; S906-R936 WeakPolarHBondContact CA-O 3.46Å |
| 907 | V | 90.2 | Very high | 72.7 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.2 | -179 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | I838 L869 L872 L905 R936 Y938 | I838-V907 HydrophobicContact CG2-CG1 4.35Å; L869-V907 HydrophobicContact CD2-CG1 3.64Å; L872-V907 HydrophobicContact CD1-CB 4.04Å; L872-V907 HydrophobicContact CD1-CG1 3.87Å; L905-V907 HydrophobicContact CD2-CG2 3.85Å; L905-V907 HydrophobicContact CG-CG2 3.8Å; V907-R936 PolarHBondContact N-O 3.43Å; V907-R936 PolarHBondContact O-N 3.04Å; V907-Y938 HydrophobicContact CG2-CD2 4.43Å; V907-Y938 HydrophobicContact CG2-CE2 4.48Å |
| 908 | T | 87.3 | Confident | 70.4 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.2 | 178.3 | -51.3 | 0 | 0 | 0 | 0 | 110.6 | F933 | T908-F933 HydrophobicContact CG2-CB 3.65Å; T908-F933 HydrophobicContact CG2-CD1 3.86Å; T908-F933 HydrophobicContact CG2-CG 4.03Å |
| 909 | V | 85.1 | Confident | 68.1 | Low | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.018 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.6 | -178.1 | -164.7 | 0 | 0 | 0 | 0 | 109.9 | L869 Q870 L872 T934 | L869-V909 HydrophobicContact CD2-CG2 4.46Å; L869-V909 WeakPolarHBondContact O-CG1 3.36Å; Q870-V909 WeakPolarHBondContact O-CG1 3.49Å; L872-V909 HydrophobicContact CD1-CG2 4.17Å; V909-T934 PolarHBondContact N-O 3.04Å; V909-T934 PolarHBondContact O-N 2.91Å |
| 910 | S | 77.4 | Confident | 65.4 | Low | 26 Ų | 26 | 81.7 Ų | 81.7 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.6 | -178.4 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | L869 F933 | L869-S910 PolarHBondContact O-N 3.36Å; S910-F933 WeakPolarHBondContact OG-CE1 3.46Å |
| 911 | S | 60.3 | Low | 62.6 | Low | 68 Ų | 68 | 83.1 Ų | 83.1 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | trans | -101.1 | 17.5 | -170 | -51.9 | 0 | 0 | 0 | 0 | 115.3 | K932 T934 | S911-K932 WeakPolarHBondContact CB-O 3.35Å; S911-K932 PolarHBondContact N-O 3.43Å; S911-K932 VanDerWaalsContact N-O 3.12Å; S911-T934 WeakPolarHBondContact OG-CG2 3.18Å; S911-T934 PolarHBondContact OG-OG1 3.23Å | ||
| 912 | S | 55.5 | Low | 59.5 | Low | 35 Ų | 35 | 90.9 Ų | 90.9 | 25% | 0.245 | 48% | 0.481 | C | S | . | . | trans | -135.7 | 134 | 178.8 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | T914 | S912-T914 VanDerWaalsContact C-N 3.3Å; S912-T914 PolarHBondContact O-N 3.34Å | ||
| 913 | N | 45.6 | Very low | 56.4 | Low | 131 Ų | 131 | 95 Ų | 95 | 70% | 0.701 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -84.3 | 6 | 175.7 | -80.7 | -3.3 | 0 | 0 | 0 | 114 | Q870 | Q870-N913 PolarHBondContact NE2-OD1 3.46Š|
| 914 | T | 38.4 | Very low | 53.3 | Low | 119 Ų | 119 | 94.2 Ų | 94.2 | 73% | 0.73 | 52% | 0.518 | S | S | * | . | trans | -142.7 | 89.3 | -168.3 | 34.6 | 0 | 0 | 0 | 0 | 111.3 | S912 | S912-T914 VanDerWaalsContact C-N 3.3Å; S912-T914 PolarHBondContact O-N 3.34Å | ||
| 915 | E | 38.9 | Very low | 50.1 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | trans | -137.1 | 103.5 | 163.2 | -68.2 | -170.5 | 164.7 | 0 | 0 | 109.9 | Y917 K932 | E915-Y917 PolarHBondContact O-N 2.79Å; E915-K932 WeakPolarHBondContact OE1-CD 3.5Å; E915-K932 IonicContact OE1-NZ 2.65Å; E915-K932 PolarHBondContact OE1-NZ 2.93Å | ||
| 916 | T | 31.4 | Very low | 47.1 | Very low | 135 Ų | 135 | 99 Ų | 99 | 83% | 0.828 | 56% | 0.562 | S | S | * | * | trans | -63.7 | 115.6 | 157.1 | 35.5 | 0 | 0 | 0 | 0 | 108.5 | T918 | T916-T918 PolarHBondContact O-N 3.19Š| ||
| 917 | Y | 33 | Very low | 44.3 | Very low | 114 Ų | 114 | 103.7 Ų | 103.7 | 45% | 0.447 | 58% | 0.582 | S | S | . | * | trans | -70.8 | 112.4 | 175.4 | -72.1 | -89.6 | 0 | 0 | 0 | 110.4 | H767 K868 E915 | H767-Y917 AromaticContact CD2-CE2 3.92Å; H767-Y917 AromaticContact NE2-CE2 3.8Å; K868-Y917 WeakPolarHBondContact CE-OH 3.49Å; K868-Y917 PolarHBondContact NZ-OH 3.08Å; E915-Y917 PolarHBondContact O-N 2.79Å | ||
| 918 | T | 27.2 | Very low | 41.8 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 80% | 0.798 | 61% | 0.614 | S | S | * | * | trans | -102.9 | 118.6 | 157.9 | 42.5 | 0 | 0 | 0 | 0 | 108.4 | T916 N920 | T916-T918 PolarHBondContact O-N 3.19Å; T918-N920 PolarHBondContact O-N 3.42Å; T918-N920 VanDerWaalsContact O-N 3.12Å | ||
| 919 | Y | 28.9 | Very low | 39.6 | Very low | 172 Ų | 172 | 108.8 Ų | 108.8 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | trans | -84.8 | 81.1 | -179.8 | -149.5 | -89.7 | 0 | 0 | 0 | 108.9 | Q774 | Q774-Y919 VanDerWaalsContact CD-CD2 3.44Å; Q774-Y919 VanDerWaalsContact NE2-CD1 3.31Å; Q774-Y919 VanDerWaalsContact NE2-CE2 3.34Å; Q774-Y919 VanDerWaalsContact OE1-CD2 3.27Å | ||
| 920 | N | 28 | Very low | 37.5 | Very low | 148 Ų | 148 | 117.9 Ų | 117.9 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | -163.5 | 85.3 | 166.2 | -96.2 | -17.6 | 0 | 0 | 0 | 107.4 | T918 | T918-N920 PolarHBondContact O-N 3.42Å; T918-N920 VanDerWaalsContact O-N 3.12Å | ||
| 921 | D | 28.5 | Very low | 35.7 | Very low | 136 Ų | 136 | 122 Ų | 122 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -157.9 | 73 | 153.9 | -105.3 | -23 | 0 | 0 | 0 | 109.3 | ||||
| 922 | I | 28.4 | Very low | 35.8 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -108.8 | 57.6 | 157.6 | -52.2 | 176.2 | 0 | 0 | 0 | 106.3 | ||
| 923 | S | 27.6 | Very low | 36.1 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | trans | 176.9 | 63.4 | 167.6 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 924 | A | 27.7 | Very low | 37.7 | Very low | 64 Ų | 64 | 125.7 Ų | 125.7 | 53% | 0.529 | 70% | 0.698 | S | S | . | * | trans | -148.3 | 90 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N926 | A924-N926 VanDerWaalsContact C-N 3.32Å; A924-N926 PolarHBondContact O-N 3.05Å | ||
| 925 | T | 26.9 | Very low | 39.7 | Very low | 142 Ų | 142 | 123.5 Ų | 123.5 | 87% | 0.871 | 69% | 0.688 | S | S | * | * | trans | -64.1 | 92.4 | 151.9 | 48.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 926 | N | 30.1 | Very low | 42.1 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -148 | 121.4 | 167.9 | -88.7 | -33.4 | 0 | 0 | 0 | 111.5 | A924 S928 | A924-N926 VanDerWaalsContact C-N 3.32Å; A924-N926 PolarHBondContact O-N 3.05Å; N926-S928 PolarHBondContact O-N 3.44Å | ||
| 927 | D | 34.6 | Very low | 45 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 87% | 0.866 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 31.6 | -170.3 | -106 | -38.5 | 0 | 0 | 0 | 115.5 | ||
| 928 | S | 37.7 | Very low | 48 | Very low | 107 Ų | 107 | 113.9 Ų | 113.9 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 8.8 | -172.4 | 59.2 | 0 | 0 | 0 | 0 | 117 | N926 | N926-S928 PolarHBondContact O-N 3.44Š|
| 929 | A | 40 | Very low | 51.3 | Low | 95 Ų | 95 | 109.3 Ų | 109.3 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | trans | -106.3 | 35.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S931 | A929-S931 PolarHBondContact O-N 3.02Š| ||
| 930 | K | 40.6 | Very low | 54.5 | Low | 194 Ų | 194 | 101.1 Ų | 101.1 | 84% | 0.843 | 58% | 0.58 | S | S | * | * | trans | -87.5 | 14.4 | -175.8 | -92.5 | 179.7 | 179.6 | 166.5 | 0 | 116.8 | ||||
| 931 | S | 41.1 | Very low | 57.8 | Low | 114 Ų | 114 | 95.2 Ų | 95.2 | 80% | 0.797 | 55% | 0.548 | S | S | * | . | trans | -115.4 | 13.9 | -167.1 | 72 | 0 | 0 | 0 | 0 | 119.4 | A929 | A929-S931 PolarHBondContact O-N 3.02Š| ||
| 932 | K | 61.2 | Low | 61.1 | Low | 101 Ų | 101 | 88.7 Ų | 88.7 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -112.8 | 0.2 | -176.3 | -87.6 | -176.7 | 172.1 | -178.3 | 0 | 117.9 | S911 E915 | S911-K932 WeakPolarHBondContact CB-O 3.35Å; S911-K932 PolarHBondContact N-O 3.43Å; S911-K932 VanDerWaalsContact N-O 3.12Å; E915-K932 WeakPolarHBondContact OE1-CD 3.5Å; E915-K932 IonicContact OE1-NZ 2.65Å; E915-K932 PolarHBondContact OE1-NZ 2.93Å |
| 933 | F | 63.3 | Low | 64.3 | Low | 139 Ų | 139 | 80.9 Ų | 80.9 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131 | 179.8 | -66.5 | -79.6 | 0 | 0 | 0 | 110.8 | T908 S910 | T908-F933 HydrophobicContact CG2-CB 3.65Å; T908-F933 HydrophobicContact CG2-CD1 3.86Å; T908-F933 HydrophobicContact CG2-CG 4.03Å; S910-F933 WeakPolarHBondContact OG-CE1 3.46Å |
| 934 | T | 77.6 | Confident | 67.7 | Low | 70 Ų | 70 | 75.7 Ų | 75.7 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.4 | 172.9 | 49 | 0 | 0 | 0 | 0 | 108.9 | V909 S911 | V909-T934 PolarHBondContact N-O 3.04Å; V909-T934 PolarHBondContact O-N 2.91Å; S911-T934 WeakPolarHBondContact OG-CG2 3.18Å; S911-T934 PolarHBondContact OG-OG1 3.23Å |
| 935 | S | 82.2 | Confident | 70.9 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 135.3 | 173.9 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | S906 | S906-S935 PolarHBondContact OG-OG 3.44Å |
| 936 | R | 87.6 | Confident | 74.1 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 26% | 0.26 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.3 | 172.8 | -66.8 | -168.3 | -177.9 | -170.8 | 7.9 | 110.3 | L872 S906 V907 Y938 | L872-R936 PolarHBondContact O-NH1 3.46Å; S906-R936 WeakPolarHBondContact CA-O 3.46Å; V907-R936 PolarHBondContact N-O 3.43Å; V907-R936 PolarHBondContact O-N 3.04Å; R936-Y938 HydrophobicContact CB-CE2 3.61Å; R936-Y938 WeakPolarHBondContact CD-OH 3.11Å |
| 937 | T | 93.4 | Very high | 77 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139 | 178.9 | 42.1 | 0 | 0 | 0 | 0 | 111.5 | L905 T998 | L905-T937 CarbonylContact O-C 3.52Å; L905-T937 WeakPolarHBondContact O-CA 3.48Å; T937-T998 PolarHBondContact O-N 3.1Å; T937-T998 PolarHBondContact OG1-O 3.3Å; T937-T998 VanDerWaalsContact OG1-O 3.09Å; T937-T998 PolarHBondContact OG1-OG1 2.56Å |
| 938 | Y | 96.6 | Very high | 79.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.4 | 178.3 | -59.1 | -98.5 | 0 | 0 | 0 | 111 | L872 S873 V876 R904 L905 V907 R936 S996 Q997 | L872-Y938 WeakPolarHBondContact CB-OH 3.5Å; L872-Y938 HydrophobicContact CD1-CE2 4.02Å; S873-Y938 WeakPolarHBondContact O-CE1 3.42Å; S873-Y938 PolarHBondContact O-OH 2.76Å; V876-Y938 HydrophobicContact CG2-CD1 3.96Å; V876-Y938 HydrophobicContact CG2-CE1 3.44Å; V876-Y938 VanDerWaalsContact CG2-CE1 3.44Å; V876-Y938 HydrophobicContact CG2-CE2 4.42Å; R904-Y938 CarbonylContact C-O 3.59Å; R904-Y938 VanDerWaalsContact CA-O 3.26Å; R904-Y938 WeakPolarHBondContact CA-O 3.33Å; L905-Y938 PolarHBondContact N-O 3.42Å; L905-Y938 PolarHBondContact O-N 3.42Å; V907-Y938 HydrophobicContact CG2-CD2 4.43Å; V907-Y938 HydrophobicContact CG2-CE2 4.48Å; R936-Y938 HydrophobicContact CB-CE2 3.61Å; R936-Y938 WeakPolarHBondContact CD-OH 3.11Å; Y938-S996 CarbonylContact C-O 3.57Å; Y938-S996 WeakPolarHBondContact CA-O 3.39Å; Y938-S996 WeakPolarHBondContact CB-O 3.43Å; Y938-Q997 VanDerWaalsContact CD1-CA 3.45Å; Y938-Q997 HydrophobicContact CD1-CB 3.87Å; Y938-Q997 HydrophobicContact CD1-CG 4.46Å; Y938-Q997 HydrophobicContact CE1-CB 3.67Å; Y938-Q997 HydrophobicContact CE1-CG 4.08Å |
| 939 | S | 95.8 | Very high | 81.2 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.3 | 170.6 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | E903 Q941 Y995 S996 T998 | E903-S939 CarbonylContact O-C 3.48Å; E903-S939 VanDerWaalsContact O-CA 3.27Å; E903-S939 WeakPolarHBondContact O-CA 3.47Å; S939-Q941 PolarHBondContact O-N 2.91Å; S939-Y995 VanDerWaalsContact C-CD1 3.46Å; S939-Y995 CarbonylContact O-C 3.43Å; S939-Y995 WeakPolarHBondContact O-CA 3.47Å; S939-S996 PolarHBondContact N-O 3.39Å; S939-S996 PolarHBondContact O-N 3.18Å; S939-S996 PolarHBondContact O-OG 2.99Å; S939-S996 PolarHBondContact OG-OG 3.01Å; S939-T998 VanDerWaalsContact CB-CG2 3.42Å; S939-T998 VanDerWaalsContact OG-CG2 3.28Å; S939-T998 WeakPolarHBondContact OG-CG2 3.31Å |
| 940 | L | 96.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.6 | 176.5 | -175.5 | 72.1 | 0 | 0 | 0 | 109.4 | I901 E903 M943 W966 L993 Y995 | I901-L940 HydrophobicContact CG2-CD1 4.21Å; I901-L940 HydrophobicContact CG2-CD2 4.16Å; E903-L940 PolarHBondContact O-N 3.5Å; L940-M943 HydrophobicContact CD2-CE 3.47Å; L940-M943 VanDerWaalsContact CD2-CE 3.47Å; L940-W966 HydrophobicContact CB-CH2 4.21Å; L940-W966 HydrophobicContact CD2-CH2 3.57Å; L940-W966 HydrophobicContact CD2-CZ2 4Å; L940-W966 HydrophobicContact CD2-CZ3 4.46Å; L940-W966 HydrophobicContact CG-CH2 3.73Å; L940-W966 HydrophobicContact CG-CZ2 4.47Å; L940-L993 HydrophobicContact CD1-CB 4.36Å; L940-Y995 HydrophobicContact CB-CD1 4.17Å; L940-Y995 HydrophobicContact CB-CE1 3.67Å; L940-Y995 HydrophobicContact CD1-CD2 4.14Å; L940-Y995 HydrophobicContact CD1-CE1 4.11Å; L940-Y995 HydrophobicContact CD1-CE2 3.68Å; L940-Y995 HydrophobicContact CG-CE1 4.48Å |
| 941 | Q | 95.9 | Very high | 85 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -41.9 | -177.6 | -179.5 | 168.8 | 12.4 | 0 | 0 | 111.9 | H551 S939 K961 L994 | H551-Q941 PolarHBondContact O-NE2 3.17Å; S939-Q941 PolarHBondContact O-N 2.91Å; Q941-K961 WeakPolarHBondContact O-CB 3.25Å; Q941-K961 PolarHBondContact O-N 2.79Å; Q941-L994 HydrophobicContact CB-CD2 4.31Å; Q941-L994 HydrophobicContact CB-CG 4.28Å; Q941-L994 HydrophobicContact CG-CD2 4.2Å; Q941-L994 PolarHBondContact N-O 2.94Å |
| 942 | A | 97.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | L548 V959 A960 L994 | L548-A942 HydrophobicContact CD1-CB 4.09Å; L548-A942 HydrophobicContact CG-CB 4.16Å; A942-V959 CarbonylContact C-O 2.87Å; A942-V959 WeakPolarHBondContact CA-O 3.16Å; A942-V959 WeakPolarHBondContact CB-O 3.27Å; A942-A960 HydrophobicContact CB-CB 3.97Å; A942-L994 HydrophobicContact CB-CB 4.3Å; A942-L994 HydrophobicContact CB-CD2 4.39Å; A942-L994 PolarHBondContact N-O 3.44Å; A942-L994 PolarHBondContact O-N 2.79Å |
| 943 | M | 97.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 150.2 | 169.9 | 65.2 | 171.3 | 78.9 | 0 | 0 | 111.1 | I901 L940 L945 C958 V959 L979 P990 L992 L993 | I901-M943 HydrophobicContact CB-CE 4.46Å; I901-M943 HydrophobicContact CG2-CE 4.35Å; L940-M943 HydrophobicContact CD2-CE 3.47Å; L940-M943 VanDerWaalsContact CD2-CE 3.47Å; M943-L945 HydrophobicContact CG-CD2 4.22Å; M943-L945 HydrophobicContact SD-CD2 3.55Å; M943-L945 VanDerWaalsContact SD-CD2 3.55Å; M943-L945 HydrophobicContact SD-CG 4.42Å; M943-C958 CarbonylContact O-C 3.22Å; M943-C958 WeakPolarHBondContact O-CA 3.47Å; M943-V959 HydrophobicContact CG-CB 3.95Å; M943-V959 PolarHBondContact N-O 3.35Å; M943-V959 PolarHBondContact O-N 2.73Å; M943-L979 HydrophobicContact CE-CD2 3.79Å; M943-P990 HydrophobicContact SD-CB 4.42Å; M943-L992 CarbonylContact C-O 3.56Å; M943-L992 WeakPolarHBondContact CA-O 3.39Å; M943-L993 HydrophobicContact CB-CD2 3.67Å |
| 944 | I | 97.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.6 | 165 | -62.6 | 174.6 | 0 | 0 | 0 | 107.7 | A544 A545 L548 A667 Y956 T957 Y991 L992 | A544-I944 HydrophobicContact CB-CD1 4.17Å; A544-I944 HydrophobicContact CB-CG1 4.06Å; A544-I944 HydrophobicContact CB-CG2 3.92Å; A545-I944 HydrophobicContact CB-CD1 4.32Å; L548-I944 HydrophobicContact CB-CD1 4.34Å; L548-I944 HydrophobicContact CB-CG1 4.24Å; L548-I944 HydrophobicContact CD1-CD1 4.29Å; L548-I944 HydrophobicContact CD1-CG1 3.83Å; A667-I944 HydrophobicContact CB-CD1 4.46Å; I944-Y956 HydrophobicContact CG2-CD1 3.72Å; I944-T957 CarbonylContact C-O 3.57Å; I944-T957 WeakPolarHBondContact CA-O 2.98Å; I944-Y991 PolarHBondContact O-N 2.86Å; I944-L992 HydrophobicContact CB-CB 4.08Å; I944-L992 HydrophobicContact CD1-CB 4.22Å; I944-L992 HydrophobicContact CD1-CD2 3.79Å; I944-L992 HydrophobicContact CG1-CB 4.41Å; I944-L992 PolarHBondContact N-O 3.28Å; I944-L992 PolarHBondContact O-N 3.45Å |
| 945 | L | 95.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 146.2 | 170.5 | -56.6 | 175.7 | 0 | 0 | 0 | 108.7 | M943 Y956 T957 V959 L968 I982 P990 | M943-L945 HydrophobicContact CG-CD2 4.22Å; M943-L945 HydrophobicContact SD-CD2 3.55Å; M943-L945 VanDerWaalsContact SD-CD2 3.55Å; M943-L945 HydrophobicContact SD-CG 4.42Å; L945-Y956 WeakPolarHBondContact O-CA 3.31Å; L945-T957 PolarHBondContact N-O 3.39Å; L945-T957 PolarHBondContact O-N 3.39Å; L945-T957 VanDerWaalsContact O-N 3.11Å; L945-V959 HydrophobicContact CD1-CG2 3.71Å; L945-V959 HydrophobicContact CG-CG2 4.29Å; L945-L968 HydrophobicContact CD1-CD1 4.45Å; L945-I982 HydrophobicContact CD1-CG1 4.19Å; L945-I982 HydrophobicContact CD1-CG2 3.65Å; L945-I982 HydrophobicContact CD2-CG2 3.79Å; L945-I982 HydrophobicContact CG-CG2 4.38Å; L945-P990 HydrophobicContact CD2-CB 4.5Å; L945-P990 HydrophobicContact CD2-CG 4.42Å |
| 946 | H | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.3 | 167.7 | -179.7 | -108.9 | 0 | 0 | 0 | 109.9 | F883 K894 S950 H955 Y956 T989 | F883-H946 AromaticContact CE1-CE1 3.73Å; F883-H946 AromaticContact CE1-ND1 3.65Å; F883-H946 AromaticContact CZ-CE1 3.74Å; F883-H946 AromaticContact CZ-CG 3.83Å; F883-H946 AromaticContact CZ-ND1 3.47Å; F883-H946 WeakPolarHBondContact CZ-ND1 3.47Å; K894-H946 VanDerWaalsContact CE-ND1 3.33Å; K894-H946 WeakPolarHBondContact CE-ND1 3.41Å; K894-H946 PolarHBondContact NZ-ND1 3Å; K894-H946 VanDerWaalsContact NZ-ND1 3.19Å; K894-H946 PolarHBondContact NZ-O 3.33Å; H946-S950 PolarHBondContact CE1-O 3.27Å; H946-H955 WeakPolarHBondContact CA-O 3.42Å; H946-Y956 HydrophobicContact CB-CD1 4.01Å; H946-Y956 HydrophobicContact CB-CE1 3.82Å; H946-Y956 AromaticContact CD2-CD1 3.81Å; H946-Y956 AromaticContact CD2-CD2 3.99Å; H946-Y956 AromaticContact CD2-CE1 3.5Å; H946-Y956 AromaticContact CD2-CE2 3.7Å; H946-Y956 AromaticContact CD2-CZ 3.45Å; H946-Y956 VanDerWaalsContact CD2-CZ 3.45Å; H946-Y956 AromaticContact CG-CE1 3.87Å; H946-T989 PolarHBondContact N-O 2.88Å; H946-T989 PolarHBondContact O-N 2.96Å; H946-T989 VanDerWaalsContact O-N 3.07Å; H946-T989 PolarHBondContact O-OG1 2.71Å |
| 947 | S | 90.1 | Very high | 90 | Very high | 19 Ų | 19 | 19.2 Ų | 19.2 | 13% | 0.133 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.1 | 177.7 | -46 | 0 | 0 | 0 | 0 | 109.2 | G954 H955 N988 | S947-G954 CarbonylContact O-C 3.6Å; S947-G954 WeakPolarHBondContact O-CA 3.37Å; S947-H955 PolarHBondContact N-O 2.71Å; S947-H955 PolarHBondContact O-N 3.43Å; S947-N988 VanDerWaalsContact CB-OD1 3.28Å; S947-N988 WeakPolarHBondContact CB-OD1 3.48Å; S947-N988 PolarHBondContact OG-OD1 3.08Å |
| 948 | G | 83.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146 | 178 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | N506 K894 | N506-G948 WeakPolarHBondContact ND2-CA 3.4Å; K894-G948 WeakPolarHBondContact CD-O 3.27Å; K894-G948 PolarHBondContact NZ-O 2.99Å |
| 949 | L | 78.9 | Confident | 90.2 | Very high | 79 Ų | 79 | 16.1 Ų | 16.1 | 41% | 0.414 | 10% | 0.101 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -12.6 | -170.1 | -60.9 | 177.9 | 0 | 0 | 0 | 114.7 | K894 L987 | K894-L949 WeakPolarHBondContact CB-O 3.49Å; K894-L949 PolarHBondContact N-O 2.81Å; K894-L949 VanDerWaalsContact N-O 3.09Å; L949-L987 HydrophobicContact CD2-CD2 4.28Å |
| 950 | S | 80.1 | Confident | 90.2 | Very high | 10 Ų | 10 | 14.5 Ų | 14.5 | 7% | 0.07 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 169.7 | 177.6 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | H946 S952 C953 | H946-S950 PolarHBondContact CE1-O 3.27Å; S950-S952 PolarHBondContact O-N 2.92Å; S950-S952 PolarHBondContact OG-N 3.28Å; S950-S952 PolarHBondContact OG-OG 3.09Å; S950-C953 CarbonylContact O-C 3.55Å; S950-C953 PolarHBondContact O-N 3.14Å; S950-C953 PolarHBondContact OG-N 2.89Å; S950-C953 PolarHBondContact OG-SG 3.3Å |
| 951 | V | 78.6 | Confident | 90.1 | Very high | 35 Ų | 35 | 17.8 Ų | 17.8 | 21% | 0.212 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.4 | 174.3 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | D666 F883 C892 C953 | D666-V951 HydrophobicContact CB-CG2 3.93Å; F883-V951 HydrophobicContact CD1-CB 3.85Å; F883-V951 HydrophobicContact CD2-CB 4.1Å; F883-V951 HydrophobicContact CD2-CG2 4.1Å; F883-V951 HydrophobicContact CE1-CB 3.95Å; F883-V951 VanDerWaalsContact CE1-N 3.35Å; F883-V951 HydrophobicContact CE2-CB 4.21Å; F883-V951 HydrophobicContact CE2-CG2 4.03Å; F883-V951 HydrophobicContact CG-CB 3.92Å; F883-V951 HydrophobicContact CG-CG2 4.42Å; F883-V951 HydrophobicContact CZ-CB 4.12Å; F883-V951 HydrophobicContact CZ-CG2 4.26Å; C892-V951 HydrophobicContact CB-CG1 4.38Å; V951-C953 VanDerWaalsContact C-N 3.3Å; V951-C953 PolarHBondContact O-N 2.88Å |
| 952 | S | 72.3 | Confident | 89.7 | Confident | 83 Ų | 83 | 18.1 Ų | 18.1 | 58% | 0.58 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.1 | -178.5 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | S950 | S950-S952 PolarHBondContact O-N 2.92Å; S950-S952 PolarHBondContact OG-N 3.28Å; S950-S952 PolarHBondContact OG-OG 3.09Å |
| 953 | C | 75.2 | Confident | 89.2 | Confident | 28 Ų | 28 | 21.6 Ų | 21.6 | 19% | 0.189 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 129.5 | 177.1 | 68.4 | 0 | 0 | 0 | 0 | 112 | N506 S950 V951 | N506-C953 HydrophobicContact CB-CB 3.97Å; N506-C953 PolarHBondContact ND2-O 3.22Å; S950-C953 CarbonylContact O-C 3.55Å; S950-C953 PolarHBondContact O-N 3.14Å; S950-C953 PolarHBondContact OG-N 2.89Å; S950-C953 PolarHBondContact OG-SG 3.3Å; V951-C953 VanDerWaalsContact C-N 3.3Å; V951-C953 PolarHBondContact O-N 2.88Å |
| 954 | G | 85.6 | Confident | 88.6 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.3 | -164.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N506 Q664 S947 | N506-G954 WeakPolarHBondContact ND2-CA 3.49Å; Q664-G954 PolarHBondContact NE2-O 2.92Å; S947-G954 CarbonylContact O-C 3.6Å; S947-G954 WeakPolarHBondContact O-CA 3.37Å |
| 955 | H | 92.1 | Very high | 88.3 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 139.2 | -176.9 | -167.1 | 49.8 | 0 | 0 | 0 | 110.2 | C540 H946 S947 D970 D971 | C540-H955 VanDerWaalsContact CB-CE1 3.45Å; C540-H955 WeakPolarHBondContact CB-CE1 3.42Å; C540-H955 WeakPolarHBondContact CB-ND1 3.46Å; C540-H955 PolarHBondContact SG-ND1 2.98Å; C540-H955 VanDerWaalsContact SG-ND1 3.42Å; H946-H955 WeakPolarHBondContact CA-O 3.42Å; S947-H955 PolarHBondContact N-O 2.71Å; S947-H955 PolarHBondContact O-N 3.43Å; H955-D970 IonicContact CD2-OD1 3.42Å; H955-D970 IonicContact CE1-OD1 3.3Å; H955-D970 IonicContact NE2-OD1 3.93Å; H955-D970 PolarHBondContact NE2-OD1 3.48Å; H955-D971 IonicContact CE1-OD2 3.92Å; H955-D971 PolarHBondContact CE1-OD2 2.92Å; H955-D971 VanDerWaalsContact CE1-OD2 3.28Å; H955-D971 IonicContact NE2-OD2 3.68Å |
| 956 | Y | 96.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.3 | 177.9 | -70.3 | -85.2 | 0 | 0 | 0 | 109.5 | C540 Q665 A667 I944 L945 H946 Y991 | C540-Y956 PolarHBondContact SG-N 3.06Å; Q665-Y956 WeakPolarHBondContact O-CE2 3.47Å; A667-Y956 HydrophobicContact CB-CD1 3.75Å; A667-Y956 HydrophobicContact CB-CE1 3.65Å; A667-Y956 HydrophobicContact CB-CE2 4.48Å; A667-Y956 HydrophobicContact CB-CG 4.2Å; I944-Y956 HydrophobicContact CG2-CD1 3.72Å; L945-Y956 WeakPolarHBondContact O-CA 3.31Å; H946-Y956 HydrophobicContact CB-CD1 4.01Å; H946-Y956 HydrophobicContact CB-CE1 3.82Å; H946-Y956 AromaticContact CD2-CD1 3.81Å; H946-Y956 AromaticContact CD2-CD2 3.99Å; H946-Y956 AromaticContact CD2-CE1 3.5Å; H946-Y956 AromaticContact CD2-CE2 3.7Å; H946-Y956 AromaticContact CD2-CZ 3.45Å; H946-Y956 VanDerWaalsContact CD2-CZ 3.45Å; H946-Y956 AromaticContact CG-CE1 3.87Å; Y956-Y991 HydrophobicContact CD1-CD1 4.39Å; Y956-Y991 AromaticContact CE1-CD1 3.67Å; Y956-Y991 HydrophobicContact CE1-CD1 3.67Å; Y956-Y991 AromaticContact CE1-CE1 3.93Å; Y956-Y991 HydrophobicContact CE1-CE1 3.93Å |
| 957 | T | 96.5 | Very high | 88.3 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.1 | 173.5 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | I944 L945 D970 | I944-T957 CarbonylContact C-O 3.57Å; I944-T957 WeakPolarHBondContact CA-O 2.98Å; L945-T957 PolarHBondContact N-O 3.39Å; L945-T957 PolarHBondContact O-N 3.39Å; L945-T957 VanDerWaalsContact O-N 3.11Å; T957-D970 HydrophobicContact CG2-CB 4.04Å |
| 958 | C | 97.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.6 | 177 | -178.8 | 0 | 0 | 0 | 0 | 110 | A544 Q547 M943 L968 F969 | A544-C958 HydrophobicContact CB-CB 4.17Å; Q547-C958 HydrophobicContact CB-CB 3.78Å; M943-C958 CarbonylContact O-C 3.22Å; M943-C958 WeakPolarHBondContact O-CA 3.47Å; C958-L968 CarbonylContact O-C 3.56Å; C958-F969 HydrophobicContact CB-CB 4.38Å; C958-F969 PolarHBondContact N-O 3.05Å; C958-F969 WeakPolarHBondContact O-CB 3.14Å; C958-F969 PolarHBondContact O-N 3.46Å |
| 959 | V | 96.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.7 | 171.3 | 173.2 | 0 | 0 | 0 | 0 | 107.8 | A942 M943 L945 W966 I967 L968 T977 I982 | A942-V959 CarbonylContact C-O 2.87Å; A942-V959 WeakPolarHBondContact CA-O 3.16Å; A942-V959 WeakPolarHBondContact CB-O 3.27Å; M943-V959 HydrophobicContact CG-CB 3.95Å; M943-V959 PolarHBondContact N-O 3.35Å; M943-V959 PolarHBondContact O-N 2.73Å; L945-V959 HydrophobicContact CD1-CG2 3.71Å; L945-V959 HydrophobicContact CG-CG2 4.29Å; V959-W966 HydrophobicContact CG1-CB 4.38Å; V959-W966 HydrophobicContact CG1-CD2 4.29Å; V959-W966 HydrophobicContact CG1-CE3 3.53Å; V959-W966 HydrophobicContact CG1-CZ3 4.15Å; V959-I967 CarbonylContact C-O 3.26Å; V959-I967 VanDerWaalsContact CA-O 3.32Å; V959-I967 WeakPolarHBondContact CA-O 3.36Å; V959-L968 HydrophobicContact CG2-CB 4.34Å; V959-L968 HydrophobicContact CG2-CD1 3.45Å; V959-L968 VanDerWaalsContact CG2-CD1 3.45Å; V959-T977 HydrophobicContact CG1-CG2 4.03Å; V959-T977 HydrophobicContact CG2-CG2 4.44Å; V959-I982 HydrophobicContact CB-CD1 4.12Å; V959-I982 HydrophobicContact CG1-CD1 3.66Å; V959-I982 HydrophobicContact CG2-CD1 3.61Å; V959-I982 HydrophobicContact CG2-CG1 4.28Å |
| 960 | A | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | H551 A942 I967 F969 | H551-A960 HydrophobicContact CB-CB 3.64Å; H551-A960 VanDerWaalsContact CG-CB 3.4Å; A942-A960 HydrophobicContact CB-CB 3.97Å; A960-I967 PolarHBondContact N-O 2.85Å; A960-I967 PolarHBondContact O-N 3.28Å; A960-F969 HydrophobicContact CB-CE2 4.12Å |
| 961 | K | 94.3 | Very high | 90.4 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 116.4 | 176.1 | -160.6 | 168 | -172.3 | 168.2 | 0 | 109.1 | E903 Q941 W966 | E903-K961 IonicContact OE2-NZ 3.91Å; E903-K961 PolarHBondContact OE2-NZ 3.3Å; Q941-K961 WeakPolarHBondContact O-CB 3.25Å; Q941-K961 PolarHBondContact O-N 2.79Å; K961-W966 HydrophobicContact CB-CD2 4.25Å; K961-W966 HydrophobicContact CB-CE3 3.84Å; K961-W966 HydrophobicContact CB-CH2 3.82Å; K961-W966 HydrophobicContact CB-CZ3 3.64Å; K961-W966 HydrophobicContact CB-CZ2 4.23Å; K961-W966 HydrophobicContact CG-CZ3 4.48Å; K961-W966 HydrophobicContact CG-CZ2 4.29Å; K961-W966 HydrophobicContact CG-CH2 4.38Å; K961-W966 HydrophobicContact CG-CD2 4.36Å; K961-W966 HydrophobicContact CD-CZ2 3.82Å; K961-W966 HydrophobicContact CD-CH2 4.13Å; K961-W966 HydrophobicContact CG-CE3 4.44Å |
| 962 | V | 89 | Confident | 90.8 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 107.6 | 176.6 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | Y530 M964 Q965 I967 | Y530-V962 HydrophobicContact CE1-CG1 3.7Å; Y530-V962 HydrophobicContact CE1-CG2 4.49Å; Y530-V962 VanDerWaalsContact OH-CG1 3.27Å; Y530-V962 WeakPolarHBondContact OH-CG1 3.07Å; V962-M964 PolarHBondContact O-N 2.69Å; V962-M964 VanDerWaalsContact O-N 3.16Å; V962-Q965 PolarHBondContact N-O 3.08Å; V962-Q965 PolarHBondContact O-N 3.39Å; V962-Q965 VanDerWaalsContact O-N 3.14Å; V962-I967 HydrophobicContact CG2-CG1 4.42Å; V962-I967 HydrophobicContact CG2-CD1 3.91Å; V962-I967 HydrophobicContact CB-CD1 3.95Å |
| 963 | G | 86.2 | Confident | 91.6 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 74% | 0.742 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -114 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 964 | M | 85.1 | Confident | 92.3 | Very high | 183 Ų | 183 | 35.2 Ų | 35.2 | 90% | 0.901 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 2.3 | 178.4 | -67.7 | -173.5 | 60.4 | 0 | 0 | 113.9 | V962 | V962-M964 PolarHBondContact O-N 2.69Å; V962-M964 VanDerWaalsContact O-N 3.16Å |
| 965 | Q | 90.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 47% | 0.467 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.5 | -172 | -68.5 | 173.2 | -31.8 | 0 | 0 | 111.1 | V962 Y976 | V962-Q965 PolarHBondContact N-O 3.08Å; V962-Q965 PolarHBondContact O-N 3.39Å; V962-Q965 VanDerWaalsContact O-N 3.14Å; Q965-Y976 HydrophobicContact CB-CD1 4.13Å; Q965-Y976 HydrophobicContact CB-CE1 3.91Å; Q965-Y976 VanDerWaalsContact CD-CE1 3.48Å; Q965-Y976 HydrophobicContact CG-CE1 4.23Å; Q965-Y976 VanDerWaalsContact OE1-CZ 3.27Å; Q965-Y976 PolarHBondContact OE1-OH 2.88Å |
| 966 | W | 94.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 40 Ų | 40 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.9 | 169.4 | -69.6 | 104.7 | 0 | 0 | 0 | 109.3 | E903 L940 V959 K961 T977 L979 | E903-W966 HydrophobicContact CG-CZ2 4.31Å; L940-W966 HydrophobicContact CB-CH2 4.21Å; L940-W966 HydrophobicContact CD2-CH2 3.57Å; L940-W966 HydrophobicContact CD2-CZ2 4Å; L940-W966 HydrophobicContact CD2-CZ3 4.46Å; L940-W966 HydrophobicContact CG-CH2 3.73Å; L940-W966 HydrophobicContact CG-CZ2 4.47Å; V959-W966 HydrophobicContact CG1-CB 4.38Å; V959-W966 HydrophobicContact CG1-CD2 4.29Å; V959-W966 HydrophobicContact CG1-CE3 3.53Å; V959-W966 HydrophobicContact CG1-CZ3 4.15Å; K961-W966 HydrophobicContact CB-CD2 4.25Å; K961-W966 HydrophobicContact CB-CE3 3.84Å; K961-W966 HydrophobicContact CB-CH2 3.82Å; K961-W966 HydrophobicContact CB-CZ3 3.64Å; K961-W966 HydrophobicContact CB-CZ2 4.23Å; K961-W966 HydrophobicContact CG-CZ3 4.48Å; K961-W966 HydrophobicContact CG-CZ2 4.29Å; K961-W966 HydrophobicContact CG-CH2 4.38Å; K961-W966 HydrophobicContact CG-CD2 4.36Å; K961-W966 HydrophobicContact CD-CZ2 3.82Å; K961-W966 HydrophobicContact CD-CH2 4.13Å; K961-W966 HydrophobicContact CG-CE3 4.44Å; W966-T977 HydrophobicContact CB-CG2 3.83Å; W966-T977 WeakPolarHBondContact CB-O 3.2Å; W966-T977 PolarHBondContact O-N 3.39Å; W966-L979 HydrophobicContact CD2-CD2 4.35Å; W966-L979 HydrophobicContact CZ2-CG 4.39Å; W966-L979 HydrophobicContact CZ2-CD1 4.17Å; W966-L979 HydrophobicContact CZ2-CD2 4.23Å |
| 967 | I | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.4 | 176.4 | -55.2 | -178.4 | 0 | 0 | 0 | 108 | V527 Y530 V959 A960 V962 F969 A974 D975 Y976 | V527-I967 HydrophobicContact CB-CD1 4.49Å; V527-I967 HydrophobicContact CG1-CD1 4.29Å; V527-I967 HydrophobicContact CG2-CD1 4.29Å; V527-I967 HydrophobicContact CG2-CG1 4.41Å; V527-I967 HydrophobicContact CG2-CG2 4.18Å; Y530-I967 HydrophobicContact CD1-CD1 4.34Å; Y530-I967 HydrophobicContact CD2-CD1 3.68Å; Y530-I967 HydrophobicContact CE2-CD1 3.84Å; Y530-I967 HydrophobicContact CG-CD1 3.93Å; V959-I967 CarbonylContact C-O 3.26Å; V959-I967 VanDerWaalsContact CA-O 3.32Å; V959-I967 WeakPolarHBondContact CA-O 3.36Å; A960-I967 PolarHBondContact N-O 2.85Å; A960-I967 PolarHBondContact O-N 3.28Å; V962-I967 HydrophobicContact CG2-CG1 4.42Å; V962-I967 HydrophobicContact CG2-CD1 3.91Å; V962-I967 HydrophobicContact CB-CD1 3.95Å; I967-F969 HydrophobicContact CB-CE2 3.81Å; I967-F969 HydrophobicContact CB-CZ 4.13Å; I967-F969 HydrophobicContact CG2-CD2 4.22Å; I967-F969 HydrophobicContact CG2-CE1 4.22Å; I967-F969 HydrophobicContact CG2-CE2 3.63Å; I967-F969 HydrophobicContact CG2-CZ 3.63Å; I967-A974 HydrophobicContact CG2-CB 4.21Å; I967-D975 WeakPolarHBondContact CA-O 3.33Å; I967-D975 WeakPolarHBondContact CG2-O 3.42Å; I967-D975 CarbonylContact C-O 3.56Å; I967-Y976 HydrophobicContact CD1-CE1 4.36Å; I967-Y976 HydrophobicContact CG1-CD1 4.11Å; I967-Y976 HydrophobicContact CG1-CE1 4.2Å |
| 968 | L | 95.1 | Very high | 92 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.4 | 170.9 | 176.8 | 70 | 0 | 0 | 0 | 109 | L945 C958 V959 A974 D975 T977 | L945-L968 HydrophobicContact CD1-CD1 4.45Å; C958-L968 CarbonylContact O-C 3.56Å; V959-L968 HydrophobicContact CG2-CB 4.34Å; V959-L968 HydrophobicContact CG2-CD1 3.45Å; V959-L968 VanDerWaalsContact CG2-CD1 3.45Å; L968-A974 CarbonylContact O-C 3.39Å; L968-A974 WeakPolarHBondContact O-CA 3.32Å; L968-D975 PolarHBondContact N-O 3.19Å; L968-D975 PolarHBondContact O-N 3.34Å; L968-T977 HydrophobicContact CB-CG2 3.92Å |
| 969 | F | 94.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 104.9 | 171.8 | -62.9 | -89.3 | 0 | 0 | 0 | 108.4 | Q547 H551 C958 A960 I967 N973 A974 | Q547-F969 HydrophobicContact CG-CB 4.07Å; Q547-F969 HydrophobicContact CG-CG 4.3Å; H551-F969 AromaticContact CD2-CE2 3.84Å; H551-F969 AromaticContact CE1-CE2 3.86Å; H551-F969 AromaticContact CE1-CZ 3.61Å; H551-F969 AromaticContact NE2-CE1 3.85Å; H551-F969 AromaticContact NE2-CE2 3.19Å; H551-F969 WeakPolarHBondContact NE2-CE2 3.44Å; H551-F969 AromaticContact NE2-CZ 3.08Å; H551-F969 WeakPolarHBondContact NE2-CZ 3.21Å; C958-F969 HydrophobicContact CB-CB 4.38Å; C958-F969 PolarHBondContact N-O 3.05Å; C958-F969 WeakPolarHBondContact O-CB 3.14Å; C958-F969 PolarHBondContact O-N 3.46Å; A960-F969 HydrophobicContact CB-CE2 4.12Å; I967-F969 HydrophobicContact CB-CE2 3.81Å; I967-F969 HydrophobicContact CB-CZ 4.13Å; I967-F969 HydrophobicContact CG2-CD2 4.22Å; I967-F969 HydrophobicContact CG2-CE1 4.22Å; I967-F969 HydrophobicContact CG2-CE2 3.63Å; I967-F969 HydrophobicContact CG2-CZ 3.63Å; F969-N973 WeakPolarHBondContact CA-O 3.5Å; F969-A974 HydrophobicContact CD1-CB 3.84Å; F969-A974 HydrophobicContact CE1-CB 3.77Å |
| 970 | D | 93.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 93.7 | 173.9 | -176.1 | -0.2 | 0 | 0 | 0 | 107.7 | R512 H955 T957 D972 N973 | R512-D970 IonicContact CZ-OD2 2.72Å; R512-D970 IonicContact NH1-OD2 3.28Å; R512-D970 IonicContact NH2-OD2 3.62Å; R512-D970 PolarHBondContact NH2-OD2 3.08Å; H955-D970 IonicContact CD2-OD1 3.42Å; H955-D970 IonicContact CE1-OD1 3.3Å; H955-D970 IonicContact NE2-OD1 3.93Å; H955-D970 PolarHBondContact NE2-OD1 3.48Å; T957-D970 HydrophobicContact CG2-CB 4.04Å; D970-D972 PolarHBondContact O-N 3.34Å; D970-D972 VanDerWaalsContact O-N 3.11Å; D970-N973 PolarHBondContact N-O 3.34Å; D970-N973 WeakPolarHBondContact O-CB 3.44Å; D970-N973 PolarHBondContact O-N 3.43Å |
| 971 | D | 92.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | -114.1 | -170.3 | -69.5 | -39.3 | 0 | 0 | 0 | 112.1 | G532 I533 N535 C540 N543 H955 N973 | G532-D971 CarbonylContact C-O 3.44Å; G532-D971 VanDerWaalsContact C-O 3.26Å; G532-D971 WeakPolarHBondContact CA-O 3.43Å; I533-D971 PolarHBondContact N-O 3.19Å; I533-D971 CarbonylContact O-C 3.54Å; I533-D971 VanDerWaalsContact O-CA 3.24Å; I533-D971 WeakPolarHBondContact O-CA 3.44Å; N535-D971 HydrophobicContact CB-CB 4.14Å; N535-D971 VanDerWaalsContact CB-OD2 3.3Å; N535-D971 WeakPolarHBondContact CB-OD2 3.41Å; N535-D971 PolarHBondContact ND2-OD2 3.27Å; C540-D971 WeakPolarHBondContact CB-OD1 3.24Å; N543-D971 PolarHBondContact ND2-OD1 3.05Å; H955-D971 IonicContact CE1-OD2 3.92Å; H955-D971 PolarHBondContact CE1-OD2 2.92Å; H955-D971 VanDerWaalsContact CE1-OD2 3.28Å; H955-D971 IonicContact NE2-OD2 3.68Å; D971-N973 VanDerWaalsContact C-N 3.27Å; D971-N973 PolarHBondContact O-N 2.88Å |
| 972 | D | 88.5 | Confident | 90.2 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.353 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -9.3 | -176.4 | 67.6 | -28.8 | 0 | 0 | 0 | 113.8 | G532 I533 D970 | G532-D972 WeakPolarHBondContact CA-O 3.27Å; G532-D972 PolarHBondContact N-O 3.22Å; I533-D972 PolarHBondContact O-N 3.18Å; I533-D972 VanDerWaalsContact O-N 3.11Å; D970-D972 PolarHBondContact O-N 3.34Å; D970-D972 VanDerWaalsContact O-N 3.11Å |
| 973 | N | 88.6 | Confident | 90 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 144.6 | -177.9 | -56.8 | -64 | 0 | 0 | 0 | 111.7 | F969 D970 D971 | F969-N973 WeakPolarHBondContact CA-O 3.5Å; D970-N973 PolarHBondContact N-O 3.34Å; D970-N973 WeakPolarHBondContact O-CB 3.44Å; D970-N973 PolarHBondContact O-N 3.43Å; D971-N973 VanDerWaalsContact C-N 3.27Å; D971-N973 PolarHBondContact O-N 2.88Å |
| 974 | A | 90.1 | Very high | 89.8 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 115.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V527 I967 L968 F969 | V527-A974 PolarHBondContact N-O 3.03Å; I967-A974 HydrophobicContact CG2-CB 4.21Å; L968-A974 CarbonylContact O-C 3.39Å; L968-A974 WeakPolarHBondContact O-CA 3.32Å; F969-A974 HydrophobicContact CD1-CB 3.84Å; F969-A974 HydrophobicContact CE1-CB 3.77Å |
| 975 | D | 90.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144 | -173.4 | -73.9 | -30.9 | 0 | 0 | 0 | 111.5 | N524 I967 L968 | N524-D975 HydrophobicContact CB-CB 4.08Å; I967-D975 WeakPolarHBondContact CA-O 3.33Å; I967-D975 WeakPolarHBondContact CG2-O 3.42Å; I967-D975 CarbonylContact C-O 3.56Å; L968-D975 PolarHBondContact N-O 3.19Å; L968-D975 PolarHBondContact O-N 3.34Å |
| 976 | Y | 91 | Very high | 88.8 | Confident | 81 Ų | 81 | 48 Ų | 48 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140.3 | 168.8 | -74 | -61.2 | 0 | 0 | 0 | 111 | R525 V527 Q965 I967 | R525-Y976 HydrophobicContact CB-CD2 4.29Å; V527-Y976 HydrophobicContact CB-CD2 4.5Å; V527-Y976 HydrophobicContact CB-CE2 4.12Å; V527-Y976 HydrophobicContact CG1-CD2 4.41Å; V527-Y976 HydrophobicContact CG1-CE1 3.83Å; V527-Y976 HydrophobicContact CG1-CE2 3.6Å; V527-Y976 VanDerWaalsContact CG1-OH 3.28Å; V527-Y976 WeakPolarHBondContact CG1-OH 3.33Å; V527-Y976 HydrophobicContact CG2-CD1 3.83Å; V527-Y976 HydrophobicContact CG2-CD2 3.55Å; V527-Y976 HydrophobicContact CG2-CE1 3.86Å; V527-Y976 HydrophobicContact CG2-CE2 3.61Å; V527-Y976 HydrophobicContact CG2-CG 3.68Å; Q965-Y976 HydrophobicContact CB-CD1 4.13Å; Q965-Y976 HydrophobicContact CB-CE1 3.91Å; Q965-Y976 VanDerWaalsContact CD-CE1 3.48Å; Q965-Y976 HydrophobicContact CG-CE1 4.23Å; Q965-Y976 VanDerWaalsContact OE1-CZ 3.27Å; Q965-Y976 PolarHBondContact OE1-OH 2.88Å; I967-Y976 HydrophobicContact CD1-CE1 4.36Å; I967-Y976 HydrophobicContact CG1-CD1 4.11Å; I967-Y976 HydrophobicContact CG1-CE1 4.2Å |
| 977 | T | 91.6 | Very high | 88 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 174.8 | 178.1 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | V959 W966 L968 I982 | V959-T977 HydrophobicContact CG1-CG2 4.03Å; V959-T977 HydrophobicContact CG2-CG2 4.44Å; W966-T977 HydrophobicContact CB-CG2 3.83Å; W966-T977 WeakPolarHBondContact CB-O 3.2Å; W966-T977 PolarHBondContact O-N 3.39Å; L968-T977 HydrophobicContact CB-CG2 3.92Å; T977-I982 HydrophobicContact CG2-CD1 3.99Å |
| 978 | T | 90.8 | Very high | 87.6 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | trans | -130.9 | 157.4 | 169.5 | 67.2 | 0 | 0 | 0 | 0 | 109.6 | E980 D981 I982 | T978-E980 PolarHBondContact O-N 3.43Å; T978-D981 WeakPolarHBondContact OG1-CB 3.3Å; T978-D981 PolarHBondContact OG1-OD2 3.35Å; T978-D981 PolarHBondContact OG1-N 2.97Å; T978-D981 PolarHBondContact O-N 2.99Å; T978-I982 WeakPolarHBondContact O-CD1 3.33Å; T978-I982 WeakPolarHBondContact O-CG1 3.39Å; T978-I982 PolarHBondContact O-N 3.41Å; T978-I982 VanDerWaalsContact O-N 3.11Å | ||
| 979 | L | 88.7 | Confident | 87.3 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 173.5 | -66.1 | 179.6 | 0 | 0 | 0 | 111.4 | E903 M943 W966 I982 Y983 | E903-L979 HydrophobicContact CG-CD1 3.46Å; E903-L979 VanDerWaalsContact CG-CD1 3.46Å; E903-L979 WeakPolarHBondContact OE1-CD1 3.11Å; M943-L979 HydrophobicContact CE-CD2 3.79Å; W966-L979 HydrophobicContact CD2-CD2 4.35Å; W966-L979 HydrophobicContact CZ2-CG 4.39Å; W966-L979 HydrophobicContact CZ2-CD1 4.17Å; W966-L979 HydrophobicContact CZ2-CD2 4.23Å; L979-I982 HydrophobicContact CD2-CD1 4.19Å; L979-I982 PolarHBondContact O-N 3.36Å; L979-Y983 PolarHBondContact O-N 3.43Å; L979-Y983 HydrophobicContact CB-CE2 4.08Å; L979-Y983 HydrophobicContact CB-CD2 4.35Å; L979-Y983 WeakPolarHBondContact O-CD2 3.27Å |
| 980 | E | 87 | Confident | 87.2 | Confident | 161 Ų | 161 | 49.8 Ų | 49.8 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 176.3 | -70.7 | 164.7 | 174.7 | 0 | 0 | 112.3 | T978 I982 Y983 S984 | T978-E980 PolarHBondContact O-N 3.43Å; E980-I982 VanDerWaalsContact C-N 3.32Å; E980-I982 PolarHBondContact O-N 3.01Å; E980-Y983 PolarHBondContact O-N 3.27Å; E980-S984 PolarHBondContact O-N 3.19Å |
| 981 | D | 86.9 | Confident | 87.3 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.9 | -69.2 | -57.2 | 0 | 0 | 0 | 110.3 | K522 T978 Y983 S984 | K522-D981 IonicContact NZ-OD1 2.79Å; K522-D981 PolarHBondContact NZ-OD1 2.79Å; T978-D981 WeakPolarHBondContact OG1-CB 3.3Å; T978-D981 PolarHBondContact OG1-OD2 3.35Å; T978-D981 PolarHBondContact OG1-N 2.97Å; T978-D981 PolarHBondContact O-N 2.99Å; D981-Y983 PolarHBondContact O-N 3.47Å; D981-S984 WeakPolarHBondContact O-CB 3.37Å; D981-S984 PolarHBondContact O-N 3.43Å; D981-S984 VanDerWaalsContact O-N 3.08Å; D981-S984 PolarHBondContact O-OG 2.99Å |
| 982 | I | 85.3 | Confident | 87.5 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 177.3 | -67.8 | 159.2 | 0 | 0 | 0 | 111.4 | L945 V959 T977 T978 L979 E980 S984 E985 | L945-I982 HydrophobicContact CD1-CG1 4.19Å; L945-I982 HydrophobicContact CD1-CG2 3.65Å; L945-I982 HydrophobicContact CD2-CG2 3.79Å; L945-I982 HydrophobicContact CG-CG2 4.38Å; V959-I982 HydrophobicContact CB-CD1 4.12Å; V959-I982 HydrophobicContact CG1-CD1 3.66Å; V959-I982 HydrophobicContact CG2-CD1 3.61Å; V959-I982 HydrophobicContact CG2-CG1 4.28Å; T977-I982 HydrophobicContact CG2-CD1 3.99Å; T978-I982 WeakPolarHBondContact O-CD1 3.33Å; T978-I982 WeakPolarHBondContact O-CG1 3.39Å; T978-I982 PolarHBondContact O-N 3.41Å; T978-I982 VanDerWaalsContact O-N 3.11Å; L979-I982 HydrophobicContact CD2-CD1 4.19Å; L979-I982 PolarHBondContact O-N 3.36Å; E980-I982 VanDerWaalsContact C-N 3.32Å; E980-I982 PolarHBondContact O-N 3.01Å; I982-S984 PolarHBondContact O-N 3.33Å; I982-E985 PolarHBondContact O-N 2.99Å |
| 983 | Y | 83.2 | Confident | 88 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.8 | -13.3 | 177.4 | -68.6 | -55 | 0 | 0 | 0 | 113.6 | R898 I901 L979 E980 D981 P990 | R898-Y983 PolarHBondContact NH1-O 2.91Å; R898-Y983 PolarHBondContact NH2-O 3.46Å; I901-Y983 WeakPolarHBondContact CA-OH 3.04Å; I901-Y983 WeakPolarHBondContact CB-OH 3.34Å; I901-Y983 WeakPolarHBondContact CG1-OH 3.48Å; I901-Y983 PolarHBondContact N-OH 2.76Å; I901-Y983 PolarHBondContact O-OH 2.81Å; L979-Y983 PolarHBondContact O-N 3.43Å; L979-Y983 HydrophobicContact CB-CE2 4.08Å; L979-Y983 HydrophobicContact CB-CD2 4.35Å; L979-Y983 WeakPolarHBondContact O-CD2 3.27Å; E980-Y983 PolarHBondContact O-N 3.27Å; D981-Y983 PolarHBondContact O-N 3.47Å; Y983-P990 HydrophobicContact CE1-CG 4.24Å |
| 984 | S | 81.6 | Confident | 88.4 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 57% | 0.566 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -74 | -30.5 | 175.5 | 79.6 | 0 | 0 | 0 | 0 | 111.8 | R898 E980 D981 I982 | R898-S984 PolarHBondContact NH2-O 3.46Å; E980-S984 PolarHBondContact O-N 3.19Å; D981-S984 WeakPolarHBondContact O-CB 3.37Å; D981-S984 PolarHBondContact O-N 3.43Å; D981-S984 VanDerWaalsContact O-N 3.08Å; D981-S984 PolarHBondContact O-OG 2.99Å; I982-S984 PolarHBondContact O-N 3.33Å |
| 985 | E | 81.7 | Confident | 88.8 | Confident | 98 Ų | 98 | 40.5 Ų | 40.5 | 46% | 0.458 | 22% | 0.216 | S | C | . | . | trans | -72.6 | 130.3 | -179.1 | -66.5 | -174.5 | -152.9 | 0 | 0 | 111.8 | R898 I982 N988 | R898-E985 PolarHBondContact NH2-O 2.88Å; I982-E985 PolarHBondContact O-N 2.99Å; E985-N988 HydrophobicContact CB-CB 4.09Å; E985-N988 PolarHBondContact OE2-ND2 3.36Å | ||
| 986 | S | 73.5 | Confident | 89 | Confident | 87 Ų | 87 | 39.8 Ų | 39.8 | 61% | 0.608 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -77.4 | -30.6 | -171.6 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 987 | L | 79.4 | Confident | 89.1 | Confident | 51 Ų | 51 | 40.2 Ų | 40.2 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -95.5 | -9.4 | -176.3 | -65.9 | 176.1 | 0 | 0 | 0 | 113.9 | K894 M896 L949 | K894-L987 PolarHBondContact NZ-O 3.28Å; M896-L987 HydrophobicContact CE-CD2 3.96Å; L949-L987 HydrophobicContact CD2-CD2 4.28Å |
| 988 | N | 84.2 | Confident | 89 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.3 | 179.5 | -72.9 | 2.6 | 0 | 0 | 0 | 110.3 | S947 E985 | S947-N988 VanDerWaalsContact CB-OD1 3.28Å; S947-N988 WeakPolarHBondContact CB-OD1 3.48Å; S947-N988 PolarHBondContact OG-OD1 3.08Å; E985-N988 HydrophobicContact CB-CB 4.09Å; E985-N988 PolarHBondContact OE2-ND2 3.36Å |
| 989 | T | 89.5 | Confident | 88.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.9 | 171.6 | 59.9 | 0 | 0 | 0 | 0 | 108.9 | K894 M896 H946 Y991 | K894-T989 WeakPolarHBondContact CE-OG1 3.38Å; K894-T989 PolarHBondContact NZ-OG1 3.44Å; M896-T989 HydrophobicContact CE-CG2 4.25Å; M896-T989 HydrophobicContact SD-CG2 4.21Å; H946-T989 PolarHBondContact N-O 2.88Å; H946-T989 PolarHBondContact O-N 2.96Å; H946-T989 VanDerWaalsContact O-N 3.07Å; H946-T989 PolarHBondContact O-OG1 2.71Å; T989-Y991 PolarHBondContact O-N 3.19Å |
| 990 | P | 93.7 | Very high | 88.9 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 133.2 | 163.5 | -20.3 | 31.8 | 0 | 0 | 0 | 109.5 | I901 M943 L945 Y983 L993 | I901-P990 HydrophobicContact CD1-CB 4.1Å; I901-P990 HydrophobicContact CD1-CG 4.32Å; I901-P990 HydrophobicContact CG1-CB 3.78Å; I901-P990 HydrophobicContact CG1-CG 3.72Å; M943-P990 HydrophobicContact SD-CB 4.42Å; L945-P990 HydrophobicContact CD2-CB 4.5Å; L945-P990 HydrophobicContact CD2-CG 4.42Å; Y983-P990 HydrophobicContact CE1-CG 4.24Å; P990-L993 HydrophobicContact CB-CD2 4.09Å |
| 991 | Y | 95.5 | Very high | 89 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | -53.7 | -175.3 | 177 | -132.4 | 0 | 0 | 0 | 112.4 | D666 A667 A668 C879 L880 V882 F883 I944 Y956 T989 | D666-Y991 PolarHBondContact OD1-OH 3.32Å; D666-Y991 PolarHBondContact OD2-OH 3.43Å; A667-Y991 HydrophobicContact CB-CE1 4.25Å; A668-Y991 HydrophobicContact CB-CE1 3.91Å; A668-Y991 WeakPolarHBondContact CB-OH 3.36Å; C879-Y991 VanDerWaalsContact SG-CE2 3.58Å; L880-Y991 PolarHBondContact N-O 3.29Å; L880-Y991 WeakPolarHBondContact O-CD2 3.26Å; L880-Y991 WeakPolarHBondContact O-CE2 3.47Å; V882-Y991 HydrophobicContact CG2-CD2 3.44Å; V882-Y991 VanDerWaalsContact CG2-CD2 3.44Å; V882-Y991 HydrophobicContact CG2-CE2 3.79Å; V882-Y991 HydrophobicContact CG2-CG 4.35Å; F883-Y991 AromaticContact CD2-CE2 3.94Å; F883-Y991 HydrophobicContact CD2-CE2 3.94Å; F883-Y991 HydrophobicContact CE2-CD2 4.25Å; F883-Y991 HydrophobicContact CE2-CE1 4.1Å; F883-Y991 AromaticContact CE2-CE2 3.77Å; F883-Y991 HydrophobicContact CE2-CE2 3.77Å; F883-Y991 AromaticContact CE2-CZ 3.69Å; I944-Y991 PolarHBondContact O-N 2.86Å; Y956-Y991 HydrophobicContact CD1-CD1 4.39Å; Y956-Y991 AromaticContact CE1-CD1 3.67Å; Y956-Y991 HydrophobicContact CE1-CD1 3.67Å; Y956-Y991 AromaticContact CE1-CE1 3.93Å; Y956-Y991 HydrophobicContact CE1-CE1 3.93Å; T989-Y991 PolarHBondContact O-N 3.19Å |
| 992 | L | 97.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131 | 179.1 | -172.2 | 67.9 | 0 | 0 | 0 | 109.8 | A668 L671 I878 C879 M943 I944 | A668-L992 HydrophobicContact CB-CD1 4.36Å; L671-L992 HydrophobicContact CB-CD2 4.44Å; L671-L992 HydrophobicContact CD2-CD2 3.43Å; L671-L992 VanDerWaalsContact CD2-CD2 3.43Å; I878-L992 CarbonylContact O-C 3.51Å; I878-L992 WeakPolarHBondContact O-CA 3.38Å; C879-L992 HydrophobicContact CB-CD1 3.65Å; M943-L992 CarbonylContact C-O 3.56Å; M943-L992 WeakPolarHBondContact CA-O 3.39Å; I944-L992 HydrophobicContact CB-CB 4.08Å; I944-L992 HydrophobicContact CD1-CB 4.22Å; I944-L992 HydrophobicContact CD1-CD2 3.79Å; I944-L992 HydrophobicContact CG1-CB 4.41Å; I944-L992 PolarHBondContact N-O 3.28Å; I944-L992 PolarHBondContact O-N 3.45Å |
| 993 | L | 97.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135 | -171.6 | -46.8 | 171.3 | 0 | 0 | 0 | 109.6 | L834 L877 I878 I901 L940 M943 P990 Y995 | L834-L993 HydrophobicContact CD1-CD1 4.19Å; L834-L993 HydrophobicContact CD2-CD1 3.47Å; L834-L993 VanDerWaalsContact CD2-CD1 3.47Å; L834-L993 HydrophobicContact CG-CD1 4.47Å; L877-L993 CarbonylContact C-O 3.57Å; L877-L993 WeakPolarHBondContact CA-O 3.44Å; I878-L993 HydrophobicContact CB-CB 4.28Å; I878-L993 HydrophobicContact CB-CD1 4.47Å; I878-L993 PolarHBondContact N-O 3.48Å; I878-L993 PolarHBondContact O-N 2.97Å; I901-L993 HydrophobicContact CD1-CD1 3.83Å; I901-L993 HydrophobicContact CD1-CD2 4.41Å; I901-L993 HydrophobicContact CG1-CD1 4.45Å; I901-L993 HydrophobicContact CG1-CD2 4.28Å; I901-L993 HydrophobicContact CG2-CD1 3.93Å; I901-L993 HydrophobicContact CG2-CD2 4.04Å; L940-L993 HydrophobicContact CD1-CB 4.36Å; M943-L993 HydrophobicContact CB-CD2 3.67Å; P990-L993 HydrophobicContact CB-CD2 4.09Å; L993-Y995 HydrophobicContact CB-CD2 4.14Å; L993-Y995 HydrophobicContact CB-CE2 3.92Å; L993-Y995 HydrophobicContact CD1-CE2 4.14Å |
| 994 | L | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117 | 171.6 | 176.3 | 66.2 | 0 | 0 | 0 | 109.4 | L548 C552 F760 H875 L877 Q941 A942 | L548-L994 HydrophobicContact CD1-CB 4.07Å; L548-L994 HydrophobicContact CD2-CB 4.22Å; L548-L994 HydrophobicContact CG-CB 4.16Å; L548-L994 HydrophobicContact CG-CD2 4.45Å; C552-L994 HydrophobicContact CB-CD2 3.82Å; F760-L994 HydrophobicContact CE1-CD1 4.01Å; H875-L994 HydrophobicContact CB-CD1 4.15Å; L877-L994 HydrophobicContact CD2-CB 4.28Å; L877-L994 HydrophobicContact CD2-CD1 3.85Å; L877-L994 HydrophobicContact CG-CD1 4.43Å; Q941-L994 HydrophobicContact CB-CD2 4.31Å; Q941-L994 HydrophobicContact CB-CG 4.28Å; Q941-L994 HydrophobicContact CG-CD2 4.2Å; Q941-L994 PolarHBondContact N-O 2.94Å; A942-L994 HydrophobicContact CB-CB 4.3Å; A942-L994 HydrophobicContact CB-CD2 4.39Å; A942-L994 PolarHBondContact N-O 3.44Å; A942-L994 PolarHBondContact O-N 2.79Å |
| 995 | Y | 97.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.9 | 175.2 | -84.4 | -85.6 | 0 | 0 | 0 | 110.4 | L834 H875 V876 I878 I901 P902 L905 S939 L940 L993 | L834-Y995 HydrophobicContact CD2-CE2 3.83Å; H875-Y995 CarbonylContact C-O 3.51Å; H875-Y995 WeakPolarHBondContact CA-O 3.49Å; V876-Y995 PolarHBondContact N-O 3.11Å; V876-Y995 PolarHBondContact O-N 2.88Å; I878-Y995 HydrophobicContact CD1-CD2 3.92Å; I878-Y995 HydrophobicContact CD1-CE2 4.23Å; I901-Y995 WeakPolarHBondContact CG2-OH 3.31Å; P902-Y995 WeakPolarHBondContact O-CE1 3.34Å; P902-Y995 PolarHBondContact O-OH 2.94Å; L905-Y995 HydrophobicContact CB-CD1 3.84Å; L905-Y995 HydrophobicContact CB-CE1 3.47Å; L905-Y995 VanDerWaalsContact CB-CE1 3.47Å; L905-Y995 HydrophobicContact CD2-CD1 4.38Å; L905-Y995 HydrophobicContact CD2-CD2 4.14Å; L905-Y995 HydrophobicContact CD2-CE1 4.32Å; L905-Y995 HydrophobicContact CD2-CE2 4.04Å; L905-Y995 HydrophobicContact CD2-CG 4.3Å; S939-Y995 VanDerWaalsContact C-CD1 3.46Å; S939-Y995 CarbonylContact O-C 3.43Å; S939-Y995 WeakPolarHBondContact O-CA 3.47Å; L940-Y995 HydrophobicContact CB-CD1 4.17Å; L940-Y995 HydrophobicContact CB-CE1 3.67Å; L940-Y995 HydrophobicContact CD1-CD2 4.14Å; L940-Y995 HydrophobicContact CD1-CE1 4.11Å; L940-Y995 HydrophobicContact CD1-CE2 3.68Å; L940-Y995 HydrophobicContact CG-CE1 4.48Å; L993-Y995 HydrophobicContact CB-CD2 4.14Å; L993-Y995 HydrophobicContact CB-CE2 3.92Å; L993-Y995 HydrophobicContact CD1-CE2 4.14Å |
| 996 | S | 95.5 | Very high | 91.1 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 15% | 0.154 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.4 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | S874 Y938 S939 T998 | S874-S996 CarbonylContact O-C 3.58Å; S874-S996 WeakPolarHBondContact O-CA 3.45Å; Y938-S996 CarbonylContact C-O 3.57Å; Y938-S996 WeakPolarHBondContact CA-O 3.39Å; Y938-S996 WeakPolarHBondContact CB-O 3.43Å; S939-S996 PolarHBondContact N-O 3.39Å; S939-S996 PolarHBondContact O-N 3.18Å; S939-S996 PolarHBondContact O-OG 2.99Å; S939-S996 PolarHBondContact OG-OG 3.01Å; S996-T998 PolarHBondContact O-N 2.81Å |
| 997 | Q | 94 | Very high | 92.6 | Very high | 91 Ų | 91 | 25.4 Ų | 25.4 | 43% | 0.425 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132 | -176.3 | -168.4 | 175.8 | 1.3 | 0 | 0 | 110.4 | S874 Y938 | S874-Q997 WeakPolarHBondContact O-CB 3.34Å; S874-Q997 PolarHBondContact O-N 3.13Å; Y938-Q997 VanDerWaalsContact CD1-CA 3.45Å; Y938-Q997 HydrophobicContact CD1-CB 3.87Å; Y938-Q997 HydrophobicContact CD1-CG 4.46Å; Y938-Q997 HydrophobicContact CE1-CB 3.67Å; Y938-Q997 HydrophobicContact CE1-CG 4.08Å |
| 998 | T | 89 | Confident | 93.7 | Very high | 92 Ų | 92 | 23.1 Ų | 23.1 | 56% | 0.564 | 13% | 0.129 | S | C | * | . | trans | -111.1 | 0 | 177.7 | 63.5 | 0 | 0 | 0 | 0 | 113 | R904 T937 S939 S996 | R904-T998 PolarHBondContact NH2-OG1 3Å; R904-T998 VanDerWaalsContact NH2-OG1 3.11Å; T937-T998 PolarHBondContact O-N 3.1Å; T937-T998 PolarHBondContact OG1-O 3.3Å; T937-T998 VanDerWaalsContact OG1-O 3.09Å; T937-T998 PolarHBondContact OG1-OG1 2.56Å; S939-T998 VanDerWaalsContact CB-CG2 3.42Å; S939-T998 VanDerWaalsContact OG-CG2 3.28Å; S939-T998 WeakPolarHBondContact OG-CG2 3.31Å; S996-T998 PolarHBondContact O-N 2.81Å |
Retrieved 998 of 998 residues in 411.1 ms
(Link to these results)